data_18531
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18531
_Entry.PDB_ID 2LUM
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 18531
_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 GLN HA H 2 5.050 5.050 4.902 0.148 18531
2 1 1 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.887 0.713 18531
3 1 1 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.490 0.210 18531
4 1 1 . 1 1 2 2 GLN H H 2 8.410 8.410 8.212 0.198 18531
5 1 1 . 1 1 3 3 TYR N N 3 124.000 124.000 123.225 0.775 18531
6 1 1 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.092 0.268 18531
7 1 1 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.653 0.447 18531
8 1 1 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.320 2.280 18531
9 1 1 . 1 1 3 3 TYR H H 3 9.070 9.070 8.923 0.147 18531
10 1 1 . 1 1 4 4 LYS N N 4 122.500 122.500 119.328 3.172 18531
11 1 1 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.474 -0.254 18531
12 1 1 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.559 0.441 18531
13 1 1 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.116 -1.116 18531
14 1 1 . 1 1 4 4 LYS H H 4 9.100 9.100 8.805 0.295 18531
15 1 1 . 1 1 5 5 LEU N N 5 126.400 126.400 125.134 1.266 18531
16 1 1 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.164 -0.194 18531
17 1 1 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.331 -1.531 18531
18 1 1 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.258 -2.658 18531
19 1 1 . 1 1 5 5 LEU H H 5 8.620 8.620 8.855 -0.235 18531
20 1 1 . 1 1 6 6 VAL N N 6 127.000 127.000 126.565 0.435 18531
21 1 1 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.672 -0.512 18531
22 1 1 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.298 1.002 18531
23 1 1 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.178 -1.478 18531
24 1 1 . 1 1 6 6 VAL H H 6 9.190 9.190 9.275 -0.085 18531
25 1 1 . 1 1 7 7 ILE N N 7 125.400 125.400 125.696 -0.296 18531
26 1 1 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.287 -0.197 18531
27 1 1 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.664 0.036 18531
28 1 1 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.060 0.940 18531
29 1 1 . 1 1 7 7 ILE H H 7 8.800 8.800 9.126 -0.326 18531
30 1 1 . 1 1 8 8 ASN N N 8 128.900 128.900 126.074 2.826 18531
31 1 1 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.890 0.390 18531
32 1 1 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.292 -1.492 18531
33 1 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.705 -0.605 18531
34 1 1 . 1 1 8 8 ASN H H 8 8.990 8.990 8.032 0.958 18531
35 1 1 . 1 1 9 9 GLY N N 9 110.200 110.200 108.081 2.119 18531
36 1 1 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.948 -0.248 18531
37 1 1 . 1 1 9 9 GLY H H 9 7.920 7.920 7.524 0.396 18531
38 1 1 . 1 1 10 10 LYS N N 10 120.700 120.700 119.047 1.653 18531
39 1 1 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.286 -0.226 18531
40 1 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.444 0.756 18531
41 1 1 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.181 -0.280 18531
42 1 1 . 1 1 10 10 LYS H H 10 9.520 9.520 8.529 0.991 18531
43 1 1 . 1 1 11 11 THR N N 11 108.900 108.900 110.907 -2.007 18531
44 1 1 . 1 1 11 11 THR HA H 11 4.360 4.360 4.303 0.057 18531
45 1 1 . 1 1 11 11 THR CA C 11 62.000 62.000 62.178 -0.178 18531
46 1 1 . 1 1 11 11 THR CB C 11 69.800 69.800 69.260 0.540 18531
47 1 1 . 1 1 11 11 THR H H 11 8.790 8.790 8.025 0.765 18531
48 1 1 . 1 1 12 12 LEU N N 12 125.700 125.700 124.726 0.974 18531
49 1 1 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.353 0.087 18531
50 1 1 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.178 -0.178 18531
51 1 1 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.464 0.836 18531
52 1 1 . 1 1 12 12 LEU H H 12 7.580 7.580 7.931 -0.351 18531
53 1 1 . 1 1 13 13 LYS N N 13 123.500 123.500 123.834 -0.334 18531
54 1 1 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.481 -0.361 18531
55 1 1 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.710 -0.810 18531
56 1 1 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.994 -1.194 18531
57 1 1 . 1 1 13 13 LYS H H 13 8.140 8.140 8.240 -0.100 18531
58 1 1 . 1 1 14 14 GLY N N 14 109.100 109.100 109.793 -0.693 18531
59 1 1 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.528 -0.328 18531
60 1 1 . 1 1 14 14 GLY H H 14 8.340 8.340 8.060 0.280 18531
61 1 1 . 1 1 15 15 GLU N N 15 118.200 118.200 118.729 -0.529 18531
62 1 1 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.590 0.010 18531
63 1 1 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.803 -0.303 18531
64 1 1 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.810 -0.010 18531
65 1 1 . 1 1 15 15 GLU H H 15 8.390 8.390 8.501 -0.111 18531
66 1 1 . 1 1 16 16 THR N N 16 115.600 115.600 114.148 1.452 18531
67 1 1 . 1 1 16 16 THR HA H 16 4.730 4.730 4.663 0.067 18531
68 1 1 . 1 1 16 16 THR CA C 16 60.600 60.600 60.778 -0.178 18531
69 1 1 . 1 1 16 16 THR CB C 16 69.500 69.500 70.865 -1.365 18531
70 1 1 . 1 1 16 16 THR H H 16 8.820 8.820 8.622 0.198 18531
71 1 1 . 1 1 17 17 THR N N 17 111.800 111.800 113.192 -1.392 18531
72 1 1 . 1 1 17 17 THR HA H 17 5.790 5.790 5.309 0.481 18531
73 1 1 . 1 1 17 17 THR CA C 17 59.800 59.800 60.139 -0.339 18531
74 1 1 . 1 1 17 17 THR CB C 17 73.100 73.100 72.141 0.959 18531
75 1 1 . 1 1 17 17 THR H H 17 8.140 8.140 8.168 -0.028 18531
76 1 1 . 1 1 18 18 THR N N 18 115.100 115.100 114.894 0.206 18531
77 1 1 . 1 1 18 18 THR HA H 18 4.640 4.640 4.530 0.110 18531
78 1 1 . 1 1 18 18 THR CA C 18 61.900 61.900 61.653 0.247 18531
79 1 1 . 1 1 18 18 THR CB C 18 70.000 70.000 70.394 -0.394 18531
80 1 1 . 1 1 18 18 THR H H 18 8.930 8.930 8.474 0.456 18531
81 1 1 . 1 1 19 19 LYS N N 19 124.300 124.300 127.712 -3.412 18531
82 1 1 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.218 0.112 18531
83 1 1 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.894 0.106 18531
84 1 1 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.083 0.717 18531
85 1 1 . 1 1 19 19 LYS H H 19 7.950 7.950 8.396 -0.446 18531
86 1 1 . 1 1 20 20 ALA N N 20 124.600 124.600 128.482 -3.882 18531
87 1 1 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.508 0.272 18531
88 1 1 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.415 -0.515 18531
89 1 1 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.363 3.437 18531
90 1 1 . 1 1 20 20 ALA H H 20 9.110 9.110 8.379 0.731 18531
91 1 1 . 1 1 21 21 VAL N N 21 115.300 115.300 119.279 -3.979 18531
92 1 1 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.244 -0.134 18531
93 1 1 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.124 -0.824 18531
94 1 1 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.640 0.560 18531
95 1 1 . 1 1 21 21 VAL H H 21 8.480 8.480 8.484 -0.004 18531
96 1 1 . 1 1 22 22 ASP N N 22 115.200 115.200 117.827 -2.627 18531
97 1 1 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.717 -0.007 18531
98 1 1 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.797 -1.397 18531
99 1 1 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.552 -0.352 18531
100 1 1 . 1 1 22 22 ASP H H 22 7.310 7.310 7.516 -0.206 18531
101 1 1 . 1 1 23 23 ALA N N 23 121.000 121.000 126.659 -5.659 18531
102 1 1 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.782 -0.442 18531
103 1 1 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.081 -0.180 18531
104 1 1 . 1 1 23 23 ALA CB C 23 17.500 17.500 19.005 -1.505 18531
105 1 1 . 1 1 23 23 ALA H H 23 8.370 8.370 8.775 -0.405 18531
106 1 1 . 1 1 24 24 GLU N N 24 118.900 118.900 118.148 0.752 18531
107 1 1 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.986 -0.126 18531
108 1 1 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.405 0.295 18531
109 1 1 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.024 0.076 18531
110 1 1 . 1 1 24 24 GLU H H 24 8.410 8.410 8.768 -0.358 18531
111 1 1 . 1 1 25 25 THR N N 25 117.400 117.400 113.848 3.552 18531
112 1 1 . 1 1 25 25 THR HA H 25 3.670 3.670 3.995 -0.325 18531
113 1 1 . 1 1 25 25 THR CA C 25 66.800 66.800 64.687 2.113 18531
114 1 1 . 1 1 25 25 THR CB C 25 68.000 68.000 68.433 -0.433 18531
115 1 1 . 1 1 25 25 THR H H 25 8.380 8.380 7.963 0.417 18531
116 1 1 . 1 1 26 26 ALA N N 26 125.100 125.100 123.046 2.054 18531
117 1 1 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.713 -0.523 18531
118 1 1 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.504 0.496 18531
119 1 1 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.737 -0.437 18531
120 1 1 . 1 1 26 26 ALA H H 26 7.220 7.220 7.720 -0.500 18531
121 1 1 . 1 1 27 27 GLU N N 27 117.400 117.400 118.549 -1.149 18531
122 1 1 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.821 -1.231 18531
123 1 1 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.012 0.688 18531
124 1 1 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.346 -0.146 18531
125 1 1 . 1 1 27 27 GLU H H 27 8.370 8.370 7.613 0.757 18531
126 1 1 . 1 1 28 28 LYS N N 28 116.300 116.300 118.202 -1.902 18531
127 1 1 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.953 -0.283 18531
128 1 1 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.564 1.036 18531
129 1 1 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.221 -0.021 18531
130 1 1 . 1 1 28 28 LYS H H 28 7.170 7.170 7.262 -0.092 18531
131 1 1 . 1 1 29 29 ALA N N 29 122.000 122.000 120.636 1.364 18531
132 1 1 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.134 -0.044 18531
133 1 1 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.147 0.553 18531
134 1 1 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.671 -1.171 18531
135 1 1 . 1 1 29 29 ALA H H 29 7.200 7.200 7.376 -0.176 18531
136 1 1 . 1 1 30 30 PHE N N 30 119.600 119.600 117.685 1.915 18531
137 1 1 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.203 0.577 18531
138 1 1 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.359 -2.760 18531
139 1 1 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.356 -0.956 18531
140 1 1 . 1 1 30 30 PHE H H 30 8.610 8.610 7.320 1.290 18531
141 1 1 . 1 1 31 31 LYS N N 31 122.800 122.800 116.980 5.820 18531
142 1 1 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.049 0.041 18531
143 1 1 . 1 1 31 31 LYS CA C 31 59.700 59.700 57.350 2.350 18531
144 1 1 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.896 -0.296 18531
145 1 1 . 1 1 31 31 LYS H H 31 9.030 9.030 7.349 1.681 18531
146 1 1 . 1 1 32 32 GLN N N 32 119.600 119.600 118.313 1.287 18531
147 1 1 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.236 -0.206 18531
148 1 1 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.418 0.282 18531
149 1 1 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.560 -1.460 18531
150 1 1 . 1 1 32 32 GLN H H 32 7.510 7.510 7.368 0.142 18531
151 1 1 . 1 1 33 33 TYR N N 33 120.400 120.400 121.728 -1.328 18531
152 1 1 . 1 1 33 33 TYR HA H 33 4.250 4.250 3.979 0.271 18531
153 1 1 . 1 1 33 33 TYR CA C 33 61.800 61.800 62.056 -0.256 18531
154 1 1 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.453 0.247 18531
155 1 1 . 1 1 33 33 TYR H H 33 8.080 8.080 7.640 0.440 18531
156 1 1 . 1 1 34 34 ALA N N 34 122.300 122.300 119.934 2.366 18531
157 1 1 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.029 -0.249 18531
158 1 1 . 1 1 34 34 ALA CA C 34 56.100 56.100 56.072 0.028 18531
159 1 1 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.150 -0.450 18531
160 1 1 . 1 1 34 34 ALA H H 34 9.210 9.210 8.360 0.850 18531
161 1 1 . 1 1 35 35 ASN N N 35 117.700 117.700 116.927 0.773 18531
162 1 1 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.467 -0.007 18531
163 1 1 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.202 0.798 18531
164 1 1 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.804 1.196 18531
165 1 1 . 1 1 35 35 ASN H H 35 8.390 8.390 8.313 0.077 18531
166 1 1 . 1 1 36 36 ASP N N 36 121.100 121.100 119.663 1.437 18531
167 1 1 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.465 -0.105 18531
168 1 1 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.492 0.208 18531
169 1 1 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.656 -0.656 18531
170 1 1 . 1 1 36 36 ASP H H 36 8.830 8.830 8.683 0.147 18531
171 1 1 . 1 1 37 37 ASN N N 37 115.200 115.200 113.921 1.279 18531
172 1 1 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.760 -0.149 18531
173 1 1 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.976 0.724 18531
174 1 1 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.584 0.416 18531
175 1 1 . 1 1 37 37 ASN H H 37 7.390 7.390 7.723 -0.333 18531
176 1 1 . 1 1 38 38 GLY N N 38 108.200 108.200 108.660 -0.460 18531
177 1 1 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.566 0.834 18531
178 1 1 . 1 1 38 38 GLY H H 38 7.800 7.800 8.160 -0.360 18531
179 1 1 . 1 1 39 39 VAL N N 39 120.800 120.800 120.798 0.002 18531
180 1 1 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.021 0.119 18531
181 1 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.436 -0.736 18531
182 1 1 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.822 1.478 18531
183 1 1 . 1 1 39 39 VAL H H 39 8.120 8.120 8.110 0.010 18531
184 1 1 . 1 1 40 40 ASP N N 40 128.000 128.000 126.655 1.345 18531
185 1 1 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.913 -0.023 18531
186 1 1 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.904 -0.104 18531
187 1 1 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.071 -0.971 18531
188 1 1 . 1 1 40 40 ASP H H 40 8.770 8.770 8.371 0.399 18531
189 1 1 . 1 1 41 41 GLY N N 41 107.100 107.100 108.349 -1.249 18531
190 1 1 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.995 0.406 18531
191 1 1 . 1 1 41 41 GLY H H 41 7.910 7.910 7.984 -0.074 18531
192 1 1 . 1 1 42 42 VAL N N 42 120.300 120.300 121.979 -1.679 18531
193 1 1 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.156 0.224 18531
194 1 1 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.961 0.140 18531
195 1 1 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.980 0.421 18531
196 1 1 . 1 1 42 42 VAL H H 42 8.250 8.250 7.631 0.619 18531
197 1 1 . 1 1 43 43 TRP N N 43 130.700 130.700 129.001 1.699 18531
198 1 1 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.236 0.124 18531
199 1 1 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.295 1.305 18531
200 1 1 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.450 -0.250 18531
201 1 1 . 1 1 43 43 TRP H H 43 9.360 9.360 8.670 0.690 18531
202 1 1 . 1 1 44 44 THR N N 44 114.500 114.500 117.087 -2.587 18531
203 1 1 . 1 1 44 44 THR HA H 44 4.830 4.830 4.921 -0.091 18531
204 1 1 . 1 1 44 44 THR CA C 44 60.300 60.300 61.256 -0.956 18531
205 1 1 . 1 1 44 44 THR CB C 44 72.100 72.100 71.314 0.786 18531
206 1 1 . 1 1 44 44 THR H H 44 9.400 9.400 8.417 0.983 18531
207 1 1 . 1 1 45 45 TYR N N 45 120.100 120.100 122.372 -2.272 18531
208 1 1 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.750 0.220 18531
209 1 1 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.170 0.830 18531
210 1 1 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.878 1.722 18531
211 1 1 . 1 1 45 45 TYR H H 45 8.580 8.580 8.285 0.295 18531
212 1 1 . 1 1 46 46 ASP N N 46 128.300 128.300 122.776 5.524 18531
213 1 1 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.430 0.150 18531
214 1 1 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.808 0.092 18531
215 1 1 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.532 -0.432 18531
216 1 1 . 1 1 46 46 ASP H H 46 7.580 7.580 8.356 -0.776 18531
217 1 1 . 1 1 47 47 ASP N N 47 124.800 124.800 126.709 -1.909 18531
218 1 1 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.252 -0.142 18531
219 1 1 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.701 -0.201 18531
220 1 1 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.099 1.002 18531
221 1 1 . 1 1 47 47 ASP H H 47 8.590 8.590 8.562 0.028 18531
222 1 1 . 1 1 48 48 ALA N N 48 119.700 119.700 119.909 -0.209 18531
223 1 1 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.099 -0.009 18531
224 1 1 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.044 0.956 18531
225 1 1 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.700 -0.400 18531
226 1 1 . 1 1 48 48 ALA H H 48 8.340 8.340 7.858 0.482 18531
227 1 1 . 1 1 49 49 THR N N 49 103.200 103.200 111.420 -8.220 18531
228 1 1 . 1 1 49 49 THR HA H 49 4.390 4.390 4.492 -0.102 18531
229 1 1 . 1 1 49 49 THR CA C 49 60.200 60.200 60.337 -0.137 18531
230 1 1 . 1 1 49 49 THR CB C 49 70.000 70.000 70.226 -0.226 18531
231 1 1 . 1 1 49 49 THR H H 49 7.000 7.000 7.578 -0.578 18531
232 1 1 . 1 1 50 50 LYS N N 50 123.100 123.100 119.662 3.438 18531
233 1 1 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.907 -0.717 18531
234 1 1 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.369 1.231 18531
235 1 1 . 1 1 50 50 LYS CB C 50 28.600 28.600 32.809 -4.209 18531
236 1 1 . 1 1 50 50 LYS H H 50 7.860 7.860 8.353 -0.493 18531
237 1 1 . 1 1 51 51 THR N N 51 111.200 111.200 117.483 -6.283 18531
238 1 1 . 1 1 51 51 THR HA H 51 5.490 5.490 4.937 0.553 18531
239 1 1 . 1 1 51 51 THR CA C 51 62.300 62.300 62.208 0.092 18531
240 1 1 . 1 1 51 51 THR CB C 51 72.100 72.100 70.394 1.706 18531
241 1 1 . 1 1 51 51 THR H H 51 7.390 7.390 8.099 -0.709 18531
242 1 1 . 1 1 52 52 PHE N N 52 131.000 131.000 126.720 4.280 18531
243 1 1 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.489 0.141 18531
244 1 1 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.706 1.594 18531
245 1 1 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.494 0.106 18531
246 1 1 . 1 1 52 52 PHE H H 52 10.390 10.390 9.213 1.177 18531
247 1 1 . 1 1 53 53 THR N N 53 117.400 117.400 117.074 0.326 18531
248 1 1 . 1 1 53 53 THR HA H 53 5.270 5.270 5.159 0.111 18531
249 1 1 . 1 1 53 53 THR CA C 53 61.200 61.200 61.439 -0.239 18531
250 1 1 . 1 1 53 53 THR CB C 53 71.000 71.000 72.188 -1.188 18531
251 1 1 . 1 1 53 53 THR H H 53 9.180 9.180 8.441 0.739 18531
252 1 1 . 1 1 54 54 VAL N N 54 123.000 123.000 123.752 -0.752 18531
253 1 1 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.401 0.059 18531
254 1 1 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.667 -1.567 18531
255 1 1 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.749 -2.449 18531
256 1 1 . 1 1 54 54 VAL H H 54 8.280 8.280 8.047 0.233 18531
257 1 1 . 1 1 55 55 THR N N 55 123.900 123.900 123.488 0.412 18531
258 1 1 . 1 1 55 55 THR HA H 55 4.700 4.700 4.799 -0.099 18531
259 1 1 . 1 1 55 55 THR CA C 55 61.200 61.200 59.673 1.527 18531
260 1 1 . 1 1 55 55 THR CB C 55 70.700 70.700 69.837 0.863 18531
261 1 1 . 1 1 55 55 THR H H 55 8.320 8.320 8.042 0.278 18531
262 1 2 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.040 0.010 18531
263 1 2 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.235 1.365 18531
264 1 2 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.574 0.126 18531
265 1 2 . 1 1 2 2 GLN H H 2 8.410 8.410 8.041 0.369 18531
266 1 2 . 1 1 3 3 TYR N N 3 124.000 124.000 121.963 2.037 18531
267 1 2 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.156 0.204 18531
268 1 2 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.890 0.210 18531
269 1 2 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.287 2.313 18531
270 1 2 . 1 1 3 3 TYR H H 3 9.070 9.070 8.381 0.689 18531
271 1 2 . 1 1 4 4 LYS N N 4 122.500 122.500 120.412 2.088 18531
272 1 2 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.199 0.021 18531
273 1 2 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.322 0.678 18531
274 1 2 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.886 0.114 18531
275 1 2 . 1 1 4 4 LYS H H 4 9.100 9.100 9.299 -0.199 18531
276 1 2 . 1 1 5 5 LEU N N 5 126.400 126.400 126.749 -0.349 18531
277 1 2 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.680 0.290 18531
278 1 2 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.753 -0.953 18531
279 1 2 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.522 -1.922 18531
280 1 2 . 1 1 5 5 LEU H H 5 8.620 8.620 8.449 0.171 18531
281 1 2 . 1 1 6 6 VAL N N 6 127.000 127.000 128.045 -1.045 18531
282 1 2 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.325 -0.165 18531
283 1 2 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.412 0.888 18531
284 1 2 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.122 -0.422 18531
285 1 2 . 1 1 6 6 VAL H H 6 9.190 9.190 9.223 -0.033 18531
286 1 2 . 1 1 7 7 ILE N N 7 125.400 125.400 127.974 -2.574 18531
287 1 2 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.528 -0.438 18531
288 1 2 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.534 0.166 18531
289 1 2 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.872 -0.872 18531
290 1 2 . 1 1 7 7 ILE H H 7 8.800 8.800 7.846 0.954 18531
291 1 2 . 1 1 8 8 ASN N N 8 128.900 128.900 124.280 4.620 18531
292 1 2 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.998 0.282 18531
293 1 2 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.569 -1.769 18531
294 1 2 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.719 -1.619 18531
295 1 2 . 1 1 8 8 ASN H H 8 8.990 8.990 8.919 0.071 18531
296 1 2 . 1 1 9 9 GLY N N 9 110.200 110.200 107.739 2.461 18531
297 1 2 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.163 0.537 18531
298 1 2 . 1 1 9 9 GLY H H 9 7.920 7.920 7.801 0.119 18531
299 1 2 . 1 1 10 10 LYS N N 10 120.700 120.700 119.085 1.615 18531
300 1 2 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.284 -0.224 18531
301 1 2 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.155 1.045 18531
302 1 2 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.053 -0.153 18531
303 1 2 . 1 1 10 10 LYS H H 10 9.520 9.520 8.763 0.757 18531
304 1 2 . 1 1 11 11 THR N N 11 108.900 108.900 110.263 -1.363 18531
305 1 2 . 1 1 11 11 THR HA H 11 4.360 4.360 4.374 -0.014 18531
306 1 2 . 1 1 11 11 THR CA C 11 62.000 62.000 62.056 -0.056 18531
307 1 2 . 1 1 11 11 THR CB C 11 69.800 69.800 69.551 0.249 18531
308 1 2 . 1 1 11 11 THR H H 11 8.790 8.790 7.875 0.915 18531
309 1 2 . 1 1 12 12 LEU N N 12 125.700 125.700 124.059 1.641 18531
310 1 2 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.441 -0.001 18531
311 1 2 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.076 -0.076 18531
312 1 2 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.064 0.236 18531
313 1 2 . 1 1 12 12 LEU H H 12 7.580 7.580 8.067 -0.487 18531
314 1 2 . 1 1 13 13 LYS N N 13 123.500 123.500 125.472 -1.972 18531
315 1 2 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.577 0.543 18531
316 1 2 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.124 -2.224 18531
317 1 2 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.327 1.473 18531
318 1 2 . 1 1 13 13 LYS H H 13 8.140 8.140 8.528 -0.388 18531
319 1 2 . 1 1 14 14 GLY N N 14 109.100 109.100 109.832 -0.732 18531
320 1 2 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.235 0.965 18531
321 1 2 . 1 1 14 14 GLY H H 14 8.340 8.340 8.110 0.230 18531
322 1 2 . 1 1 15 15 GLU N N 15 118.200 118.200 118.519 -0.319 18531
323 1 2 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.510 0.090 18531
324 1 2 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.731 -0.231 18531
325 1 2 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.576 0.224 18531
326 1 2 . 1 1 15 15 GLU H H 15 8.390 8.390 8.377 0.013 18531
327 1 2 . 1 1 16 16 THR N N 16 115.600 115.600 114.584 1.016 18531
328 1 2 . 1 1 16 16 THR HA H 16 4.730 4.730 4.655 0.075 18531
329 1 2 . 1 1 16 16 THR CA C 16 60.600 60.600 60.879 -0.279 18531
330 1 2 . 1 1 16 16 THR CB C 16 69.500 69.500 70.534 -1.034 18531
331 1 2 . 1 1 16 16 THR H H 16 8.820 8.820 8.351 0.469 18531
332 1 2 . 1 1 17 17 THR N N 17 111.800 111.800 113.651 -1.851 18531
333 1 2 . 1 1 17 17 THR HA H 17 5.790 5.790 5.580 0.210 18531
334 1 2 . 1 1 17 17 THR CA C 17 59.800 59.800 60.680 -0.880 18531
335 1 2 . 1 1 17 17 THR CB C 17 73.100 73.100 72.169 0.931 18531
336 1 2 . 1 1 17 17 THR H H 17 8.140 8.140 8.213 -0.073 18531
337 1 2 . 1 1 18 18 THR N N 18 115.100 115.100 114.815 0.285 18531
338 1 2 . 1 1 18 18 THR HA H 18 4.640 4.640 4.565 0.075 18531
339 1 2 . 1 1 18 18 THR CA C 18 61.900 61.900 61.771 0.129 18531
340 1 2 . 1 1 18 18 THR CB C 18 70.000 70.000 69.649 0.351 18531
341 1 2 . 1 1 18 18 THR H H 18 8.930 8.930 8.488 0.442 18531
342 1 2 . 1 1 19 19 LYS N N 19 124.300 124.300 128.261 -3.961 18531
343 1 2 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.052 0.278 18531
344 1 2 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.150 -0.150 18531
345 1 2 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.885 0.915 18531
346 1 2 . 1 1 19 19 LYS H H 19 7.950 7.950 8.363 -0.413 18531
347 1 2 . 1 1 20 20 ALA N N 20 124.600 124.600 128.053 -3.453 18531
348 1 2 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.596 0.184 18531
349 1 2 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.891 0.009 18531
350 1 2 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.207 2.593 18531
351 1 2 . 1 1 20 20 ALA H H 20 9.110 9.110 8.335 0.775 18531
352 1 2 . 1 1 21 21 VAL N N 21 115.300 115.300 119.192 -3.892 18531
353 1 2 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.848 0.262 18531
354 1 2 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.283 -0.983 18531
355 1 2 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.749 0.451 18531
356 1 2 . 1 1 21 21 VAL H H 21 8.480 8.480 8.609 -0.129 18531
357 1 2 . 1 1 22 22 ASP N N 22 115.200 115.200 113.525 1.675 18531
358 1 2 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.844 -0.134 18531
359 1 2 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.656 -0.255 18531
360 1 2 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.020 0.180 18531
361 1 2 . 1 1 22 22 ASP H H 22 7.310 7.310 7.519 -0.209 18531
362 1 2 . 1 1 23 23 ALA N N 23 121.000 121.000 122.798 -1.798 18531
363 1 2 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.555 -0.215 18531
364 1 2 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.272 -0.372 18531
365 1 2 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.582 -1.082 18531
366 1 2 . 1 1 23 23 ALA H H 23 8.370 8.370 8.748 -0.378 18531
367 1 2 . 1 1 24 24 GLU N N 24 118.900 118.900 118.443 0.457 18531
368 1 2 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.891 -0.031 18531
369 1 2 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.423 0.277 18531
370 1 2 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.842 0.258 18531
371 1 2 . 1 1 24 24 GLU H H 24 8.410 8.410 8.717 -0.307 18531
372 1 2 . 1 1 25 25 THR N N 25 117.400 117.400 114.433 2.967 18531
373 1 2 . 1 1 25 25 THR HA H 25 3.670 3.670 4.100 -0.430 18531
374 1 2 . 1 1 25 25 THR CA C 25 66.800 66.800 65.718 1.082 18531
375 1 2 . 1 1 25 25 THR CB C 25 68.000 68.000 68.667 -0.667 18531
376 1 2 . 1 1 25 25 THR H H 25 8.380 8.380 7.903 0.477 18531
377 1 2 . 1 1 26 26 ALA N N 26 125.100 125.100 124.116 0.984 18531
378 1 2 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.736 -0.546 18531
379 1 2 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.224 0.776 18531
380 1 2 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.640 -0.340 18531
381 1 2 . 1 1 26 26 ALA H H 26 7.220 7.220 7.097 0.123 18531
382 1 2 . 1 1 27 27 GLU N N 27 117.400 117.400 119.252 -1.852 18531
383 1 2 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.665 -1.075 18531
384 1 2 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.877 -0.177 18531
385 1 2 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.324 -0.124 18531
386 1 2 . 1 1 27 27 GLU H H 27 8.370 8.370 8.437 -0.067 18531
387 1 2 . 1 1 28 28 LYS N N 28 116.300 116.300 119.016 -2.716 18531
388 1 2 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.777 -0.107 18531
389 1 2 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.523 0.077 18531
390 1 2 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.097 0.103 18531
391 1 2 . 1 1 28 28 LYS H H 28 7.170 7.170 7.292 -0.122 18531
392 1 2 . 1 1 29 29 ALA N N 29 122.000 122.000 121.744 0.256 18531
393 1 2 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.992 0.098 18531
394 1 2 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.802 -0.102 18531
395 1 2 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.017 -0.516 18531
396 1 2 . 1 1 29 29 ALA H H 29 7.200 7.200 7.135 0.065 18531
397 1 2 . 1 1 30 30 PHE N N 30 119.600 119.600 117.187 2.413 18531
398 1 2 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.087 0.693 18531
399 1 2 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.605 -4.005 18531
400 1 2 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.057 -0.657 18531
401 1 2 . 1 1 30 30 PHE H H 30 8.610 8.610 8.128 0.482 18531
402 1 2 . 1 1 31 31 LYS N N 31 122.800 122.800 117.220 5.580 18531
403 1 2 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.916 0.174 18531
404 1 2 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.457 0.243 18531
405 1 2 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.962 -0.362 18531
406 1 2 . 1 1 31 31 LYS H H 31 9.030 9.030 8.201 0.829 18531
407 1 2 . 1 1 32 32 GLN N N 32 119.600 119.600 120.037 -0.437 18531
408 1 2 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.060 -0.030 18531
409 1 2 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.001 -0.301 18531
410 1 2 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.177 -0.077 18531
411 1 2 . 1 1 32 32 GLN H H 32 7.510 7.510 7.885 -0.375 18531
412 1 2 . 1 1 33 33 TYR N N 33 120.400 120.400 120.741 -0.341 18531
413 1 2 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.419 -0.169 18531
414 1 2 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.178 0.622 18531
415 1 2 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.344 0.356 18531
416 1 2 . 1 1 33 33 TYR H H 33 8.080 8.080 7.901 0.179 18531
417 1 2 . 1 1 34 34 ALA N N 34 122.300 122.300 121.451 0.849 18531
418 1 2 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.040 -0.260 18531
419 1 2 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.300 0.800 18531
420 1 2 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.548 -0.848 18531
421 1 2 . 1 1 34 34 ALA H H 34 9.210 9.210 7.727 1.483 18531
422 1 2 . 1 1 35 35 ASN N N 35 117.700 117.700 117.550 0.150 18531
423 1 2 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.456 0.004 18531
424 1 2 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.823 1.177 18531
425 1 2 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.002 0.998 18531
426 1 2 . 1 1 35 35 ASN H H 35 8.390 8.390 8.057 0.333 18531
427 1 2 . 1 1 36 36 ASP N N 36 121.100 121.100 120.733 0.367 18531
428 1 2 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.440 -0.080 18531
429 1 2 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.023 -0.323 18531
430 1 2 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.331 -0.332 18531
431 1 2 . 1 1 36 36 ASP H H 36 8.830 8.830 8.572 0.258 18531
432 1 2 . 1 1 37 37 ASN N N 37 115.200 115.200 115.026 0.174 18531
433 1 2 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.843 -0.233 18531
434 1 2 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.514 1.186 18531
435 1 2 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.702 1.298 18531
436 1 2 . 1 1 37 37 ASN H H 37 7.390 7.390 7.536 -0.146 18531
437 1 2 . 1 1 38 38 GLY N N 38 108.200 108.200 107.970 0.230 18531
438 1 2 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.203 0.197 18531
439 1 2 . 1 1 38 38 GLY H H 38 7.800 7.800 8.142 -0.342 18531
440 1 2 . 1 1 39 39 VAL N N 39 120.800 120.800 120.256 0.544 18531
441 1 2 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.192 -0.052 18531
442 1 2 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.040 -0.340 18531
443 1 2 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.562 0.738 18531
444 1 2 . 1 1 39 39 VAL H H 39 8.120 8.120 8.033 0.087 18531
445 1 2 . 1 1 40 40 ASP N N 40 128.000 128.000 128.284 -0.284 18531
446 1 2 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.872 0.018 18531
447 1 2 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.034 -0.234 18531
448 1 2 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.707 -0.607 18531
449 1 2 . 1 1 40 40 ASP H H 40 8.770 8.770 8.117 0.653 18531
450 1 2 . 1 1 41 41 GLY N N 41 107.100 107.100 109.648 -2.548 18531
451 1 2 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.652 0.748 18531
452 1 2 . 1 1 41 41 GLY H H 41 7.910 7.910 8.039 -0.129 18531
453 1 2 . 1 1 42 42 VAL N N 42 120.300 120.300 121.145 -0.845 18531
454 1 2 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.376 0.004 18531
455 1 2 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.354 1.746 18531
456 1 2 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.375 0.025 18531
457 1 2 . 1 1 42 42 VAL H H 42 8.250 8.250 7.698 0.552 18531
458 1 2 . 1 1 43 43 TRP N N 43 130.700 130.700 128.904 1.796 18531
459 1 2 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.960 0.400 18531
460 1 2 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.528 1.072 18531
461 1 2 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.496 -0.296 18531
462 1 2 . 1 1 43 43 TRP H H 43 9.360 9.360 8.658 0.702 18531
463 1 2 . 1 1 44 44 THR N N 44 114.500 114.500 117.971 -3.471 18531
464 1 2 . 1 1 44 44 THR HA H 44 4.830 4.830 4.795 0.035 18531
465 1 2 . 1 1 44 44 THR CA C 44 60.300 60.300 61.520 -1.220 18531
466 1 2 . 1 1 44 44 THR CB C 44 72.100 72.100 70.421 1.679 18531
467 1 2 . 1 1 44 44 THR H H 44 9.400 9.400 8.493 0.907 18531
468 1 2 . 1 1 45 45 TYR N N 45 120.100 120.100 124.977 -4.877 18531
469 1 2 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.991 -0.021 18531
470 1 2 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.940 1.060 18531
471 1 2 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.026 1.574 18531
472 1 2 . 1 1 45 45 TYR H H 45 8.580 8.580 8.378 0.202 18531
473 1 2 . 1 1 46 46 ASP N N 46 128.300 128.300 123.820 4.480 18531
474 1 2 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.406 0.174 18531
475 1 2 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.011 -0.111 18531
476 1 2 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.082 -0.982 18531
477 1 2 . 1 1 46 46 ASP H H 46 7.580 7.580 8.339 -0.759 18531
478 1 2 . 1 1 47 47 ASP N N 47 124.800 124.800 124.000 0.800 18531
479 1 2 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.254 -0.144 18531
480 1 2 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.817 -0.317 18531
481 1 2 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.270 0.830 18531
482 1 2 . 1 1 47 47 ASP H H 47 8.590 8.590 8.496 0.094 18531
483 1 2 . 1 1 48 48 ALA N N 48 119.700 119.700 120.143 -0.443 18531
484 1 2 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.100 -0.010 18531
485 1 2 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.147 0.853 18531
486 1 2 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.448 -0.148 18531
487 1 2 . 1 1 48 48 ALA H H 48 8.340 8.340 7.802 0.538 18531
488 1 2 . 1 1 49 49 THR N N 49 103.200 103.200 111.331 -8.131 18531
489 1 2 . 1 1 49 49 THR HA H 49 4.390 4.390 4.572 -0.182 18531
490 1 2 . 1 1 49 49 THR CA C 49 60.200 60.200 60.367 -0.167 18531
491 1 2 . 1 1 49 49 THR CB C 49 70.000 70.000 70.167 -0.167 18531
492 1 2 . 1 1 49 49 THR H H 49 7.000 7.000 7.341 -0.341 18531
493 1 2 . 1 1 50 50 LYS N N 50 123.100 123.100 120.060 3.040 18531
494 1 2 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.917 -0.727 18531
495 1 2 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.576 1.024 18531
496 1 2 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.579 -4.979 18531
497 1 2 . 1 1 50 50 LYS H H 50 7.860 7.860 8.373 -0.513 18531
498 1 2 . 1 1 51 51 THR N N 51 111.200 111.200 117.187 -5.987 18531
499 1 2 . 1 1 51 51 THR HA H 51 5.490 5.490 5.071 0.419 18531
500 1 2 . 1 1 51 51 THR CA C 51 62.300 62.300 62.298 0.002 18531
501 1 2 . 1 1 51 51 THR CB C 51 72.100 72.100 70.791 1.309 18531
502 1 2 . 1 1 51 51 THR H H 51 7.390 7.390 8.017 -0.627 18531
503 1 2 . 1 1 52 52 PHE N N 52 131.000 131.000 125.838 5.162 18531
504 1 2 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.288 0.342 18531
505 1 2 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.852 1.448 18531
506 1 2 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.045 0.555 18531
507 1 2 . 1 1 52 52 PHE H H 52 10.390 10.390 9.446 0.944 18531
508 1 2 . 1 1 53 53 THR N N 53 117.400 117.400 119.312 -1.912 18531
509 1 2 . 1 1 53 53 THR HA H 53 5.270 5.270 5.165 0.104 18531
510 1 2 . 1 1 53 53 THR CA C 53 61.200 61.200 61.733 -0.533 18531
511 1 2 . 1 1 53 53 THR CB C 53 71.000 71.000 71.001 -0.001 18531
512 1 2 . 1 1 53 53 THR H H 53 9.180 9.180 8.464 0.716 18531
513 1 2 . 1 1 54 54 VAL N N 54 123.000 123.000 128.204 -5.204 18531
514 1 2 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.717 -0.257 18531
515 1 2 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.792 -0.692 18531
516 1 2 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.934 -2.634 18531
517 1 2 . 1 1 54 54 VAL H H 54 8.280 8.280 9.061 -0.781 18531
518 1 2 . 1 1 55 55 THR N N 55 123.900 123.900 125.720 -1.820 18531
519 1 2 . 1 1 55 55 THR HA H 55 4.700 4.700 4.576 0.124 18531
520 1 2 . 1 1 55 55 THR CA C 55 61.200 61.200 61.514 -0.314 18531
521 1 2 . 1 1 55 55 THR CB C 55 70.700 70.700 69.302 1.398 18531
522 1 2 . 1 1 55 55 THR H H 55 8.320 8.320 8.198 0.122 18531
523 1 3 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.686 0.364 18531
524 1 3 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.786 0.814 18531
525 1 3 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.788 -0.088 18531
526 1 3 . 1 1 2 2 GLN H H 2 8.410 8.410 8.239 0.171 18531
527 1 3 . 1 1 3 3 TYR N N 3 124.000 124.000 122.488 1.512 18531
528 1 3 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.050 0.310 18531
529 1 3 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.530 1.570 18531
530 1 3 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.446 3.154 18531
531 1 3 . 1 1 3 3 TYR H H 3 9.070 9.070 7.926 1.144 18531
532 1 3 . 1 1 4 4 LYS N N 4 122.500 122.500 119.946 2.554 18531
533 1 3 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.230 -0.010 18531
534 1 3 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.336 0.664 18531
535 1 3 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.992 0.008 18531
536 1 3 . 1 1 4 4 LYS H H 4 9.100 9.100 9.301 -0.201 18531
537 1 3 . 1 1 5 5 LEU N N 5 126.400 126.400 126.985 -0.585 18531
538 1 3 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.179 -0.209 18531
539 1 3 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.145 -1.345 18531
540 1 3 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.451 -1.851 18531
541 1 3 . 1 1 5 5 LEU H H 5 8.620 8.620 8.535 0.085 18531
542 1 3 . 1 1 6 6 VAL N N 6 127.000 127.000 127.076 -0.076 18531
543 1 3 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.840 -0.680 18531
544 1 3 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.409 1.891 18531
545 1 3 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.755 -1.056 18531
546 1 3 . 1 1 6 6 VAL H H 6 9.190 9.190 9.354 -0.164 18531
547 1 3 . 1 1 7 7 ILE N N 7 125.400 125.400 125.357 0.043 18531
548 1 3 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.355 -0.265 18531
549 1 3 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.761 -0.061 18531
550 1 3 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.505 0.495 18531
551 1 3 . 1 1 7 7 ILE H H 7 8.800 8.800 8.920 -0.120 18531
552 1 3 . 1 1 8 8 ASN N N 8 128.900 128.900 126.471 2.429 18531
553 1 3 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.007 0.273 18531
554 1 3 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.451 -1.651 18531
555 1 3 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.484 -0.384 18531
556 1 3 . 1 1 8 8 ASN H H 8 8.990 8.990 8.394 0.596 18531
557 1 3 . 1 1 9 9 GLY N N 9 110.200 110.200 109.331 0.869 18531
558 1 3 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.807 -0.107 18531
559 1 3 . 1 1 9 9 GLY H H 9 7.920 7.920 7.829 0.091 18531
560 1 3 . 1 1 10 10 LYS N N 10 120.700 120.700 120.064 0.636 18531
561 1 3 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.245 -0.185 18531
562 1 3 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.218 0.982 18531
563 1 3 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.894 0.006 18531
564 1 3 . 1 1 10 10 LYS H H 10 9.520 9.520 8.187 1.333 18531
565 1 3 . 1 1 11 11 THR N N 11 108.900 108.900 113.511 -4.611 18531
566 1 3 . 1 1 11 11 THR HA H 11 4.360 4.360 4.456 -0.096 18531
567 1 3 . 1 1 11 11 THR CA C 11 62.000 62.000 61.597 0.403 18531
568 1 3 . 1 1 11 11 THR CB C 11 69.800 69.800 69.019 0.781 18531
569 1 3 . 1 1 11 11 THR H H 11 8.790 8.790 8.207 0.583 18531
570 1 3 . 1 1 12 12 LEU N N 12 125.700 125.700 123.177 2.523 18531
571 1 3 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.535 -0.095 18531
572 1 3 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.187 -0.187 18531
573 1 3 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.386 -1.086 18531
574 1 3 . 1 1 12 12 LEU H H 12 7.580 7.580 7.620 -0.040 18531
575 1 3 . 1 1 13 13 LYS N N 13 123.500 123.500 123.866 -0.366 18531
576 1 3 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.606 -0.486 18531
577 1 3 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.534 -0.634 18531
578 1 3 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.530 -0.730 18531
579 1 3 . 1 1 13 13 LYS H H 13 8.140 8.140 8.355 -0.215 18531
580 1 3 . 1 1 14 14 GLY N N 14 109.100 109.100 110.008 -0.908 18531
581 1 3 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.866 -0.666 18531
582 1 3 . 1 1 14 14 GLY H H 14 8.340 8.340 8.101 0.239 18531
583 1 3 . 1 1 15 15 GLU N N 15 118.200 118.200 119.039 -0.839 18531
584 1 3 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.627 -0.027 18531
585 1 3 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.467 0.033 18531
586 1 3 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.815 -0.015 18531
587 1 3 . 1 1 15 15 GLU H H 15 8.390 8.390 8.409 -0.019 18531
588 1 3 . 1 1 16 16 THR N N 16 115.600 115.600 113.767 1.833 18531
589 1 3 . 1 1 16 16 THR HA H 16 4.730 4.730 4.611 0.119 18531
590 1 3 . 1 1 16 16 THR CA C 16 60.600 60.600 60.825 -0.225 18531
591 1 3 . 1 1 16 16 THR CB C 16 69.500 69.500 70.931 -1.431 18531
592 1 3 . 1 1 16 16 THR H H 16 8.820 8.820 8.382 0.438 18531
593 1 3 . 1 1 17 17 THR N N 17 111.800 111.800 114.136 -2.336 18531
594 1 3 . 1 1 17 17 THR HA H 17 5.790 5.790 5.465 0.325 18531
595 1 3 . 1 1 17 17 THR CA C 17 59.800 59.800 60.124 -0.324 18531
596 1 3 . 1 1 17 17 THR CB C 17 73.100 73.100 72.229 0.871 18531
597 1 3 . 1 1 17 17 THR H H 17 8.140 8.140 8.221 -0.081 18531
598 1 3 . 1 1 18 18 THR N N 18 115.100 115.100 114.340 0.760 18531
599 1 3 . 1 1 18 18 THR HA H 18 4.640 4.640 4.572 0.068 18531
600 1 3 . 1 1 18 18 THR CA C 18 61.900 61.900 61.018 0.882 18531
601 1 3 . 1 1 18 18 THR CB C 18 70.000 70.000 69.775 0.225 18531
602 1 3 . 1 1 18 18 THR H H 18 8.930 8.930 8.391 0.539 18531
603 1 3 . 1 1 19 19 LYS N N 19 124.300 124.300 123.839 0.461 18531
604 1 3 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.907 0.423 18531
605 1 3 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.106 -0.106 18531
606 1 3 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.092 -0.291 18531
607 1 3 . 1 1 19 19 LYS H H 19 7.950 7.950 8.171 -0.221 18531
608 1 3 . 1 1 20 20 ALA N N 20 124.600 124.600 125.136 -0.536 18531
609 1 3 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.549 0.231 18531
610 1 3 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.665 -0.765 18531
611 1 3 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.688 2.112 18531
612 1 3 . 1 1 20 20 ALA H H 20 9.110 9.110 7.993 1.117 18531
613 1 3 . 1 1 21 21 VAL N N 21 115.300 115.300 116.465 -1.165 18531
614 1 3 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.114 -0.004 18531
615 1 3 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.572 -0.272 18531
616 1 3 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.544 0.656 18531
617 1 3 . 1 1 21 21 VAL H H 21 8.480 8.480 8.494 -0.014 18531
618 1 3 . 1 1 22 22 ASP N N 22 115.200 115.200 114.982 0.218 18531
619 1 3 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.717 -0.007 18531
620 1 3 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.371 -0.971 18531
621 1 3 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.131 0.069 18531
622 1 3 . 1 1 22 22 ASP H H 22 7.310 7.310 7.597 -0.287 18531
623 1 3 . 1 1 23 23 ALA N N 23 121.000 121.000 124.597 -3.597 18531
624 1 3 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.738 -0.398 18531
625 1 3 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.208 -0.308 18531
626 1 3 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.652 -1.152 18531
627 1 3 . 1 1 23 23 ALA H H 23 8.370 8.370 8.732 -0.362 18531
628 1 3 . 1 1 24 24 GLU N N 24 118.900 118.900 118.853 0.047 18531
629 1 3 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.930 -0.070 18531
630 1 3 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.295 0.405 18531
631 1 3 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.975 0.125 18531
632 1 3 . 1 1 24 24 GLU H H 24 8.410 8.410 8.839 -0.429 18531
633 1 3 . 1 1 25 25 THR N N 25 117.400 117.400 116.192 1.208 18531
634 1 3 . 1 1 25 25 THR HA H 25 3.670 3.670 4.001 -0.331 18531
635 1 3 . 1 1 25 25 THR CA C 25 66.800 66.800 65.647 1.153 18531
636 1 3 . 1 1 25 25 THR CB C 25 68.000 68.000 68.863 -0.863 18531
637 1 3 . 1 1 25 25 THR H H 25 8.380 8.380 7.990 0.390 18531
638 1 3 . 1 1 26 26 ALA N N 26 125.100 125.100 124.323 0.777 18531
639 1 3 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.570 -0.380 18531
640 1 3 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.716 0.284 18531
641 1 3 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.910 -0.610 18531
642 1 3 . 1 1 26 26 ALA H H 26 7.220 7.220 7.626 -0.406 18531
643 1 3 . 1 1 27 27 GLU N N 27 117.400 117.400 118.223 -0.823 18531
644 1 3 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.720 -1.130 18531
645 1 3 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.537 0.163 18531
646 1 3 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.405 -0.205 18531
647 1 3 . 1 1 27 27 GLU H H 27 8.370 8.370 8.379 -0.009 18531
648 1 3 . 1 1 28 28 LYS N N 28 116.300 116.300 117.978 -1.678 18531
649 1 3 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.875 -0.205 18531
650 1 3 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.974 0.626 18531
651 1 3 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.012 0.188 18531
652 1 3 . 1 1 28 28 LYS H H 28 7.170 7.170 7.428 -0.258 18531
653 1 3 . 1 1 29 29 ALA N N 29 122.000 122.000 120.015 1.985 18531
654 1 3 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.088 0.002 18531
655 1 3 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.223 0.477 18531
656 1 3 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.455 -0.955 18531
657 1 3 . 1 1 29 29 ALA H H 29 7.200 7.200 7.088 0.112 18531
658 1 3 . 1 1 30 30 PHE N N 30 119.600 119.600 118.053 1.547 18531
659 1 3 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.212 0.568 18531
660 1 3 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.343 -2.743 18531
661 1 3 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.004 -0.604 18531
662 1 3 . 1 1 30 30 PHE H H 30 8.610 8.610 7.693 0.917 18531
663 1 3 . 1 1 31 31 LYS N N 31 122.800 122.800 117.517 5.283 18531
664 1 3 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.080 0.010 18531
665 1 3 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.197 1.503 18531
666 1 3 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.966 -0.366 18531
667 1 3 . 1 1 31 31 LYS H H 31 9.030 9.030 8.028 1.002 18531
668 1 3 . 1 1 32 32 GLN N N 32 119.600 119.600 119.875 -0.275 18531
669 1 3 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.189 -0.159 18531
670 1 3 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.747 -0.047 18531
671 1 3 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.276 -1.176 18531
672 1 3 . 1 1 32 32 GLN H H 32 7.510 7.510 7.411 0.099 18531
673 1 3 . 1 1 33 33 TYR N N 33 120.400 120.400 121.658 -1.258 18531
674 1 3 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.046 0.204 18531
675 1 3 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.228 0.572 18531
676 1 3 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.268 0.432 18531
677 1 3 . 1 1 33 33 TYR H H 33 8.080 8.080 8.078 0.002 18531
678 1 3 . 1 1 34 34 ALA N N 34 122.300 122.300 119.583 2.717 18531
679 1 3 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.771 0.009 18531
680 1 3 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.278 0.822 18531
681 1 3 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.314 -0.614 18531
682 1 3 . 1 1 34 34 ALA H H 34 9.210 9.210 7.956 1.254 18531
683 1 3 . 1 1 35 35 ASN N N 35 117.700 117.700 117.629 0.071 18531
684 1 3 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.460 0.000 18531
685 1 3 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.990 1.010 18531
686 1 3 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.039 0.961 18531
687 1 3 . 1 1 35 35 ASN H H 35 8.390 8.390 8.051 0.339 18531
688 1 3 . 1 1 36 36 ASP N N 36 121.100 121.100 120.629 0.471 18531
689 1 3 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.452 -0.092 18531
690 1 3 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.838 -0.138 18531
691 1 3 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.785 -0.785 18531
692 1 3 . 1 1 36 36 ASP H H 36 8.830 8.830 8.595 0.235 18531
693 1 3 . 1 1 37 37 ASN N N 37 115.200 115.200 115.224 -0.024 18531
694 1 3 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.795 -0.185 18531
695 1 3 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.760 0.940 18531
696 1 3 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.758 1.242 18531
697 1 3 . 1 1 37 37 ASN H H 37 7.390 7.390 7.614 -0.224 18531
698 1 3 . 1 1 38 38 GLY N N 38 108.200 108.200 108.586 -0.386 18531
699 1 3 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.266 0.134 18531
700 1 3 . 1 1 38 38 GLY H H 38 7.800 7.800 8.231 -0.431 18531
701 1 3 . 1 1 39 39 VAL N N 39 120.800 120.800 119.534 1.266 18531
702 1 3 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.982 0.158 18531
703 1 3 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.760 -1.060 18531
704 1 3 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.187 1.113 18531
705 1 3 . 1 1 39 39 VAL H H 39 8.120 8.120 7.952 0.168 18531
706 1 3 . 1 1 40 40 ASP N N 40 128.000 128.000 127.264 0.736 18531
707 1 3 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.803 0.087 18531
708 1 3 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.550 0.250 18531
709 1 3 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.204 -1.104 18531
710 1 3 . 1 1 40 40 ASP H H 40 8.770 8.770 8.310 0.460 18531
711 1 3 . 1 1 41 41 GLY N N 41 107.100 107.100 108.340 -1.240 18531
712 1 3 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.963 0.437 18531
713 1 3 . 1 1 41 41 GLY H H 41 7.910 7.910 7.869 0.041 18531
714 1 3 . 1 1 42 42 VAL N N 42 120.300 120.300 121.544 -1.244 18531
715 1 3 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.305 0.075 18531
716 1 3 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.323 2.777 18531
717 1 3 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.440 -0.040 18531
718 1 3 . 1 1 42 42 VAL H H 42 8.250 8.250 7.658 0.592 18531
719 1 3 . 1 1 43 43 TRP N N 43 130.700 130.700 129.688 1.012 18531
720 1 3 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.969 0.391 18531
721 1 3 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.280 1.320 18531
722 1 3 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.676 -0.476 18531
723 1 3 . 1 1 43 43 TRP H H 43 9.360 9.360 8.419 0.941 18531
724 1 3 . 1 1 44 44 THR N N 44 114.500 114.500 117.278 -2.778 18531
725 1 3 . 1 1 44 44 THR HA H 44 4.830 4.830 4.861 -0.031 18531
726 1 3 . 1 1 44 44 THR CA C 44 60.300 60.300 61.019 -0.719 18531
727 1 3 . 1 1 44 44 THR CB C 44 72.100 72.100 71.322 0.778 18531
728 1 3 . 1 1 44 44 THR H H 44 9.400 9.400 8.754 0.646 18531
729 1 3 . 1 1 45 45 TYR N N 45 120.100 120.100 121.872 -1.772 18531
730 1 3 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.686 0.284 18531
731 1 3 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.323 0.677 18531
732 1 3 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.725 1.875 18531
733 1 3 . 1 1 45 45 TYR H H 45 8.580 8.580 8.239 0.341 18531
734 1 3 . 1 1 46 46 ASP N N 46 128.300 128.300 122.138 6.162 18531
735 1 3 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.406 0.174 18531
736 1 3 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.950 -0.050 18531
737 1 3 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.861 -0.761 18531
738 1 3 . 1 1 46 46 ASP H H 46 7.580 7.580 8.261 -0.681 18531
739 1 3 . 1 1 47 47 ASP N N 47 124.800 124.800 124.704 0.096 18531
740 1 3 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.215 -0.105 18531
741 1 3 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.422 0.078 18531
742 1 3 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.125 0.975 18531
743 1 3 . 1 1 47 47 ASP H H 47 8.590 8.590 8.364 0.226 18531
744 1 3 . 1 1 48 48 ALA N N 48 119.700 119.700 120.840 -1.140 18531
745 1 3 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.051 0.039 18531
746 1 3 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.075 0.925 18531
747 1 3 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.009 -0.709 18531
748 1 3 . 1 1 48 48 ALA H H 48 8.340 8.340 7.970 0.370 18531
749 1 3 . 1 1 49 49 THR N N 49 103.200 103.200 111.313 -8.113 18531
750 1 3 . 1 1 49 49 THR HA H 49 4.390 4.390 4.459 -0.069 18531
751 1 3 . 1 1 49 49 THR CA C 49 60.200 60.200 60.580 -0.380 18531
752 1 3 . 1 1 49 49 THR CB C 49 70.000 70.000 69.986 0.015 18531
753 1 3 . 1 1 49 49 THR H H 49 7.000 7.000 7.636 -0.636 18531
754 1 3 . 1 1 50 50 LYS N N 50 123.100 123.100 119.287 3.813 18531
755 1 3 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.719 -0.529 18531
756 1 3 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.190 0.410 18531
757 1 3 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.697 -5.097 18531
758 1 3 . 1 1 50 50 LYS H H 50 7.860 7.860 8.390 -0.530 18531
759 1 3 . 1 1 51 51 THR N N 51 111.200 111.200 117.273 -6.073 18531
760 1 3 . 1 1 51 51 THR HA H 51 5.490 5.490 5.086 0.404 18531
761 1 3 . 1 1 51 51 THR CA C 51 62.300 62.300 62.021 0.279 18531
762 1 3 . 1 1 51 51 THR CB C 51 72.100 72.100 70.715 1.385 18531
763 1 3 . 1 1 51 51 THR H H 51 7.390 7.390 8.045 -0.655 18531
764 1 3 . 1 1 52 52 PHE N N 52 131.000 131.000 126.031 4.969 18531
765 1 3 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.406 0.224 18531
766 1 3 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.827 1.473 18531
767 1 3 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.248 0.352 18531
768 1 3 . 1 1 52 52 PHE H H 52 10.390 10.390 9.233 1.157 18531
769 1 3 . 1 1 53 53 THR N N 53 117.400 117.400 118.756 -1.356 18531
770 1 3 . 1 1 53 53 THR HA H 53 5.270 5.270 5.322 -0.052 18531
771 1 3 . 1 1 53 53 THR CA C 53 61.200 61.200 61.477 -0.277 18531
772 1 3 . 1 1 53 53 THR CB C 53 71.000 71.000 71.783 -0.783 18531
773 1 3 . 1 1 53 53 THR H H 53 9.180 9.180 8.586 0.594 18531
774 1 3 . 1 1 54 54 VAL N N 54 123.000 123.000 125.053 -2.053 18531
775 1 3 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.500 -0.040 18531
776 1 3 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.404 -1.304 18531
777 1 3 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.884 -1.584 18531
778 1 3 . 1 1 54 54 VAL H H 54 8.280 8.280 8.115 0.165 18531
779 1 3 . 1 1 55 55 THR N N 55 123.900 123.900 124.377 -0.477 18531
780 1 3 . 1 1 55 55 THR HA H 55 4.700 4.700 4.800 -0.100 18531
781 1 3 . 1 1 55 55 THR CA C 55 61.200 61.200 59.621 1.579 18531
782 1 3 . 1 1 55 55 THR CB C 55 70.700 70.700 69.949 0.751 18531
783 1 3 . 1 1 55 55 THR H H 55 8.320 8.320 8.398 -0.078 18531
784 1 4 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.287 -0.237 18531
785 1 4 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.871 1.729 18531
786 1 4 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.712 -0.012 18531
787 1 4 . 1 1 2 2 GLN H H 2 8.410 8.410 8.161 0.249 18531
788 1 4 . 1 1 3 3 TYR N N 3 124.000 124.000 120.900 3.100 18531
789 1 4 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.714 0.646 18531
790 1 4 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.898 0.202 18531
791 1 4 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.038 1.562 18531
792 1 4 . 1 1 3 3 TYR H H 3 9.070 9.070 8.354 0.716 18531
793 1 4 . 1 1 4 4 LYS N N 4 122.500 122.500 119.978 2.522 18531
794 1 4 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.388 -0.168 18531
795 1 4 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.024 0.976 18531
796 1 4 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.150 -0.150 18531
797 1 4 . 1 1 4 4 LYS H H 4 9.100 9.100 8.760 0.340 18531
798 1 4 . 1 1 5 5 LEU N N 5 126.400 126.400 125.986 0.414 18531
799 1 4 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.151 -0.181 18531
800 1 4 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.240 -1.440 18531
801 1 4 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.922 -2.322 18531
802 1 4 . 1 1 5 5 LEU H H 5 8.620 8.620 8.386 0.234 18531
803 1 4 . 1 1 6 6 VAL N N 6 127.000 127.000 127.164 -0.164 18531
804 1 4 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.670 -0.510 18531
805 1 4 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.478 0.822 18531
806 1 4 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.058 -1.358 18531
807 1 4 . 1 1 6 6 VAL H H 6 9.190 9.190 9.177 0.013 18531
808 1 4 . 1 1 7 7 ILE N N 7 125.400 125.400 126.180 -0.780 18531
809 1 4 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.276 -0.186 18531
810 1 4 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.600 0.100 18531
811 1 4 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.462 0.538 18531
812 1 4 . 1 1 7 7 ILE H H 7 8.800 8.800 9.087 -0.287 18531
813 1 4 . 1 1 8 8 ASN N N 8 128.900 128.900 126.456 2.444 18531
814 1 4 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.875 0.405 18531
815 1 4 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.295 -1.495 18531
816 1 4 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.720 -0.620 18531
817 1 4 . 1 1 8 8 ASN H H 8 8.990 8.990 8.050 0.940 18531
818 1 4 . 1 1 9 9 GLY N N 9 110.200 110.200 107.599 2.601 18531
819 1 4 . 1 1 9 9 GLY CA C 9 44.700 44.700 45.031 -0.331 18531
820 1 4 . 1 1 9 9 GLY H H 9 7.920 7.920 7.530 0.390 18531
821 1 4 . 1 1 10 10 LYS N N 10 120.700 120.700 118.603 2.097 18531
822 1 4 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.281 -0.221 18531
823 1 4 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.730 -0.530 18531
824 1 4 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.323 -0.423 18531
825 1 4 . 1 1 10 10 LYS H H 10 9.520 9.520 9.014 0.506 18531
826 1 4 . 1 1 11 11 THR N N 11 108.900 108.900 110.856 -1.956 18531
827 1 4 . 1 1 11 11 THR HA H 11 4.360 4.360 4.324 0.036 18531
828 1 4 . 1 1 11 11 THR CA C 11 62.000 62.000 62.837 -0.837 18531
829 1 4 . 1 1 11 11 THR CB C 11 69.800 69.800 69.170 0.630 18531
830 1 4 . 1 1 11 11 THR H H 11 8.790 8.790 8.004 0.786 18531
831 1 4 . 1 1 12 12 LEU N N 12 125.700 125.700 124.703 0.997 18531
832 1 4 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.365 0.075 18531
833 1 4 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.064 -0.064 18531
834 1 4 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.548 0.752 18531
835 1 4 . 1 1 12 12 LEU H H 12 7.580 7.580 7.923 -0.343 18531
836 1 4 . 1 1 13 13 LYS N N 13 123.500 123.500 123.631 -0.131 18531
837 1 4 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.424 -0.304 18531
838 1 4 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.813 -0.913 18531
839 1 4 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.954 -1.154 18531
840 1 4 . 1 1 13 13 LYS H H 13 8.140 8.140 8.254 -0.114 18531
841 1 4 . 1 1 14 14 GLY N N 14 109.100 109.100 109.872 -0.772 18531
842 1 4 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.511 -0.311 18531
843 1 4 . 1 1 14 14 GLY H H 14 8.340 8.340 8.061 0.279 18531
844 1 4 . 1 1 15 15 GLU N N 15 118.200 118.200 119.141 -0.941 18531
845 1 4 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.622 -0.022 18531
846 1 4 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.662 -0.162 18531
847 1 4 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.900 -0.100 18531
848 1 4 . 1 1 15 15 GLU H H 15 8.390 8.390 8.516 -0.126 18531
849 1 4 . 1 1 16 16 THR N N 16 115.600 115.600 114.661 0.939 18531
850 1 4 . 1 1 16 16 THR HA H 16 4.730 4.730 4.730 -0.000 18531
851 1 4 . 1 1 16 16 THR CA C 16 60.600 60.600 60.227 0.373 18531
852 1 4 . 1 1 16 16 THR CB C 16 69.500 69.500 69.601 -0.101 18531
853 1 4 . 1 1 16 16 THR H H 16 8.820 8.820 8.483 0.337 18531
854 1 4 . 1 1 17 17 THR N N 17 111.800 111.800 113.093 -1.293 18531
855 1 4 . 1 1 17 17 THR HA H 17 5.790 5.790 5.765 0.025 18531
856 1 4 . 1 1 17 17 THR CA C 17 59.800 59.800 60.604 -0.804 18531
857 1 4 . 1 1 17 17 THR CB C 17 73.100 73.100 71.844 1.256 18531
858 1 4 . 1 1 17 17 THR H H 17 8.140 8.140 8.188 -0.048 18531
859 1 4 . 1 1 18 18 THR N N 18 115.100 115.100 113.791 1.309 18531
860 1 4 . 1 1 18 18 THR HA H 18 4.640 4.640 4.523 0.117 18531
861 1 4 . 1 1 18 18 THR CA C 18 61.900 61.900 61.347 0.553 18531
862 1 4 . 1 1 18 18 THR CB C 18 70.000 70.000 70.788 -0.788 18531
863 1 4 . 1 1 18 18 THR H H 18 8.930 8.930 8.289 0.641 18531
864 1 4 . 1 1 19 19 LYS N N 19 124.300 124.300 120.159 4.141 18531
865 1 4 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.296 0.034 18531
866 1 4 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.400 -0.400 18531
867 1 4 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.623 0.177 18531
868 1 4 . 1 1 19 19 LYS H H 19 7.950 7.950 8.296 -0.346 18531
869 1 4 . 1 1 20 20 ALA N N 20 124.600 124.600 127.311 -2.711 18531
870 1 4 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.801 -0.021 18531
871 1 4 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.058 -0.158 18531
872 1 4 . 1 1 20 20 ALA CB C 20 23.800 23.800 22.330 1.470 18531
873 1 4 . 1 1 20 20 ALA H H 20 9.110 9.110 8.432 0.678 18531
874 1 4 . 1 1 21 21 VAL N N 21 115.300 115.300 115.341 -0.041 18531
875 1 4 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.192 -0.082 18531
876 1 4 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.396 -0.096 18531
877 1 4 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.279 0.921 18531
878 1 4 . 1 1 21 21 VAL H H 21 8.480 8.480 8.424 0.056 18531
879 1 4 . 1 1 22 22 ASP N N 22 115.200 115.200 118.287 -3.087 18531
880 1 4 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.669 0.041 18531
881 1 4 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.846 -1.446 18531
882 1 4 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.969 -0.769 18531
883 1 4 . 1 1 22 22 ASP H H 22 7.310 7.310 7.406 -0.096 18531
884 1 4 . 1 1 23 23 ALA N N 23 121.000 121.000 126.683 -5.683 18531
885 1 4 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.530 -0.190 18531
886 1 4 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.802 0.098 18531
887 1 4 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.097 -0.597 18531
888 1 4 . 1 1 23 23 ALA H H 23 8.370 8.370 8.584 -0.214 18531
889 1 4 . 1 1 24 24 GLU N N 24 118.900 118.900 117.794 1.106 18531
890 1 4 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.806 0.054 18531
891 1 4 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.603 0.097 18531
892 1 4 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.278 0.822 18531
893 1 4 . 1 1 24 24 GLU H H 24 8.410 8.410 8.589 -0.179 18531
894 1 4 . 1 1 25 25 THR N N 25 117.400 117.400 114.812 2.588 18531
895 1 4 . 1 1 25 25 THR HA H 25 3.670 3.670 4.060 -0.390 18531
896 1 4 . 1 1 25 25 THR CA C 25 66.800 66.800 65.127 1.673 18531
897 1 4 . 1 1 25 25 THR CB C 25 68.000 68.000 68.304 -0.304 18531
898 1 4 . 1 1 25 25 THR H H 25 8.380 8.380 8.075 0.305 18531
899 1 4 . 1 1 26 26 ALA N N 26 125.100 125.100 122.376 2.724 18531
900 1 4 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.038 -0.848 18531
901 1 4 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.964 1.036 18531
902 1 4 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.127 -0.827 18531
903 1 4 . 1 1 26 26 ALA H H 26 7.220 7.220 7.630 -0.410 18531
904 1 4 . 1 1 27 27 GLU N N 27 117.400 117.400 120.003 -2.603 18531
905 1 4 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.790 -1.200 18531
906 1 4 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.833 -0.133 18531
907 1 4 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.235 -0.035 18531
908 1 4 . 1 1 27 27 GLU H H 27 8.370 8.370 7.809 0.561 18531
909 1 4 . 1 1 28 28 LYS N N 28 116.300 116.300 118.368 -2.068 18531
910 1 4 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.883 -0.213 18531
911 1 4 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.516 0.084 18531
912 1 4 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.939 0.261 18531
913 1 4 . 1 1 28 28 LYS H H 28 7.170 7.170 7.431 -0.261 18531
914 1 4 . 1 1 29 29 ALA N N 29 122.000 122.000 121.879 0.121 18531
915 1 4 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.113 -0.023 18531
916 1 4 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.647 0.053 18531
917 1 4 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.097 -0.597 18531
918 1 4 . 1 1 29 29 ALA H H 29 7.200 7.200 7.528 -0.328 18531
919 1 4 . 1 1 30 30 PHE N N 30 119.600 119.600 117.712 1.888 18531
920 1 4 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.363 0.417 18531
921 1 4 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.222 -3.622 18531
922 1 4 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.745 -1.345 18531
923 1 4 . 1 1 30 30 PHE H H 30 8.610 8.610 8.267 0.343 18531
924 1 4 . 1 1 31 31 LYS N N 31 122.800 122.800 118.955 3.845 18531
925 1 4 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.719 0.371 18531
926 1 4 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.041 1.659 18531
927 1 4 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.774 -0.174 18531
928 1 4 . 1 1 31 31 LYS H H 31 9.030 9.030 8.141 0.889 18531
929 1 4 . 1 1 32 32 GLN N N 32 119.600 119.600 119.743 -0.143 18531
930 1 4 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.929 0.101 18531
931 1 4 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.438 -0.738 18531
932 1 4 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.639 -0.539 18531
933 1 4 . 1 1 32 32 GLN H H 32 7.510 7.510 8.336 -0.826 18531
934 1 4 . 1 1 33 33 TYR N N 33 120.400 120.400 119.843 0.557 18531
935 1 4 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.143 0.107 18531
936 1 4 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.699 1.101 18531
937 1 4 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.155 0.545 18531
938 1 4 . 1 1 33 33 TYR H H 33 8.080 8.080 7.812 0.268 18531
939 1 4 . 1 1 34 34 ALA N N 34 122.300 122.300 121.425 0.875 18531
940 1 4 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.936 -0.156 18531
941 1 4 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.196 0.904 18531
942 1 4 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.292 -0.592 18531
943 1 4 . 1 1 34 34 ALA H H 34 9.210 9.210 7.986 1.224 18531
944 1 4 . 1 1 35 35 ASN N N 35 117.700 117.700 117.580 0.120 18531
945 1 4 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.459 0.001 18531
946 1 4 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.667 1.333 18531
947 1 4 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.015 0.985 18531
948 1 4 . 1 1 35 35 ASN H H 35 8.390 8.390 7.976 0.414 18531
949 1 4 . 1 1 36 36 ASP N N 36 121.100 121.100 121.181 -0.081 18531
950 1 4 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.416 -0.056 18531
951 1 4 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.861 -0.161 18531
952 1 4 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.485 -0.485 18531
953 1 4 . 1 1 36 36 ASP H H 36 8.830 8.830 8.435 0.395 18531
954 1 4 . 1 1 37 37 ASN N N 37 115.200 115.200 114.991 0.209 18531
955 1 4 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.805 -0.195 18531
956 1 4 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.690 1.010 18531
957 1 4 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.927 1.073 18531
958 1 4 . 1 1 37 37 ASN H H 37 7.390 7.390 7.448 -0.058 18531
959 1 4 . 1 1 38 38 GLY N N 38 108.200 108.200 108.925 -0.725 18531
960 1 4 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.296 0.104 18531
961 1 4 . 1 1 38 38 GLY H H 38 7.800 7.800 8.201 -0.401 18531
962 1 4 . 1 1 39 39 VAL N N 39 120.800 120.800 119.964 0.836 18531
963 1 4 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.166 -0.026 18531
964 1 4 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.840 -0.140 18531
965 1 4 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.136 0.164 18531
966 1 4 . 1 1 39 39 VAL H H 39 8.120 8.120 7.993 0.127 18531
967 1 4 . 1 1 40 40 ASP N N 40 128.000 128.000 126.947 1.053 18531
968 1 4 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.979 -0.089 18531
969 1 4 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.443 0.357 18531
970 1 4 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.222 -1.122 18531
971 1 4 . 1 1 40 40 ASP H H 40 8.770 8.770 8.299 0.471 18531
972 1 4 . 1 1 41 41 GLY N N 41 107.100 107.100 107.118 -0.018 18531
973 1 4 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.954 0.446 18531
974 1 4 . 1 1 41 41 GLY H H 41 7.910 7.910 8.041 -0.131 18531
975 1 4 . 1 1 42 42 VAL N N 42 120.300 120.300 118.024 2.276 18531
976 1 4 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.602 -0.222 18531
977 1 4 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.312 1.788 18531
978 1 4 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.997 0.403 18531
979 1 4 . 1 1 42 42 VAL H H 42 8.250 8.250 7.630 0.620 18531
980 1 4 . 1 1 43 43 TRP N N 43 130.700 130.700 127.930 2.770 18531
981 1 4 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.070 0.290 18531
982 1 4 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.225 1.375 18531
983 1 4 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.000 -0.800 18531
984 1 4 . 1 1 43 43 TRP H H 43 9.360 9.360 8.544 0.816 18531
985 1 4 . 1 1 44 44 THR N N 44 114.500 114.500 119.854 -5.354 18531
986 1 4 . 1 1 44 44 THR HA H 44 4.830 4.830 4.723 0.107 18531
987 1 4 . 1 1 44 44 THR CA C 44 60.300 60.300 61.401 -1.101 18531
988 1 4 . 1 1 44 44 THR CB C 44 72.100 72.100 70.467 1.633 18531
989 1 4 . 1 1 44 44 THR H H 44 9.400 9.400 8.750 0.650 18531
990 1 4 . 1 1 45 45 TYR N N 45 120.100 120.100 125.103 -5.003 18531
991 1 4 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.967 0.003 18531
992 1 4 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.236 -0.236 18531
993 1 4 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.393 1.207 18531
994 1 4 . 1 1 45 45 TYR H H 45 8.580 8.580 8.411 0.169 18531
995 1 4 . 1 1 46 46 ASP N N 46 128.300 128.300 124.465 3.835 18531
996 1 4 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.455 0.125 18531
997 1 4 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.054 -0.154 18531
998 1 4 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.544 -1.444 18531
999 1 4 . 1 1 46 46 ASP H H 46 7.580 7.580 8.472 -0.892 18531
1000 1 4 . 1 1 47 47 ASP N N 47 124.800 124.800 124.383 0.417 18531
1001 1 4 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.565 -0.455 18531
1002 1 4 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.493 0.007 18531
1003 1 4 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.118 0.982 18531
1004 1 4 . 1 1 47 47 ASP H H 47 8.590 8.590 8.393 0.197 18531
1005 1 4 . 1 1 48 48 ALA N N 48 119.700 119.700 122.232 -2.532 18531
1006 1 4 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.183 -0.093 18531
1007 1 4 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.060 0.940 18531
1008 1 4 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.797 -0.496 18531
1009 1 4 . 1 1 48 48 ALA H H 48 8.340 8.340 8.071 0.269 18531
1010 1 4 . 1 1 49 49 THR N N 49 103.200 103.200 112.250 -9.050 18531
1011 1 4 . 1 1 49 49 THR HA H 49 4.390 4.390 4.398 -0.008 18531
1012 1 4 . 1 1 49 49 THR CA C 49 60.200 60.200 61.157 -0.957 18531
1013 1 4 . 1 1 49 49 THR CB C 49 70.000 70.000 70.082 -0.081 18531
1014 1 4 . 1 1 49 49 THR H H 49 7.000 7.000 8.429 -1.429 18531
1015 1 4 . 1 1 50 50 LYS N N 50 123.100 123.100 119.366 3.734 18531
1016 1 4 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.699 -0.509 18531
1017 1 4 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.922 0.678 18531
1018 1 4 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.260 -4.660 18531
1019 1 4 . 1 1 50 50 LYS H H 50 7.860 7.860 8.340 -0.480 18531
1020 1 4 . 1 1 51 51 THR N N 51 111.200 111.200 116.129 -4.929 18531
1021 1 4 . 1 1 51 51 THR HA H 51 5.490 5.490 4.240 1.250 18531
1022 1 4 . 1 1 51 51 THR CA C 51 62.300 62.300 61.380 0.920 18531
1023 1 4 . 1 1 51 51 THR CB C 51 72.100 72.100 69.450 2.650 18531
1024 1 4 . 1 1 51 51 THR H H 51 7.390 7.390 7.790 -0.400 18531
1025 1 4 . 1 1 52 52 PHE N N 52 131.000 131.000 128.504 2.496 18531
1026 1 4 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.220 0.410 18531
1027 1 4 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.930 2.370 18531
1028 1 4 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.723 1.877 18531
1029 1 4 . 1 1 52 52 PHE H H 52 10.390 10.390 8.263 2.127 18531
1030 1 4 . 1 1 53 53 THR N N 53 117.400 117.400 116.600 0.800 18531
1031 1 4 . 1 1 53 53 THR HA H 53 5.270 5.270 5.120 0.150 18531
1032 1 4 . 1 1 53 53 THR CA C 53 61.200 61.200 61.465 -0.265 18531
1033 1 4 . 1 1 53 53 THR CB C 53 71.000 71.000 71.875 -0.875 18531
1034 1 4 . 1 1 53 53 THR H H 53 9.180 9.180 8.898 0.282 18531
1035 1 4 . 1 1 54 54 VAL N N 54 123.000 123.000 124.605 -1.605 18531
1036 1 4 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.498 -0.038 18531
1037 1 4 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.993 -0.894 18531
1038 1 4 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.555 -1.255 18531
1039 1 4 . 1 1 54 54 VAL H H 54 8.280 8.280 8.155 0.125 18531
1040 1 4 . 1 1 55 55 THR N N 55 123.900 123.900 124.730 -0.830 18531
1041 1 4 . 1 1 55 55 THR HA H 55 4.700 4.700 4.827 -0.127 18531
1042 1 4 . 1 1 55 55 THR CA C 55 61.200 61.200 60.847 0.353 18531
1043 1 4 . 1 1 55 55 THR CB C 55 70.700 70.700 70.630 0.070 18531
1044 1 4 . 1 1 55 55 THR H H 55 8.320 8.320 8.121 0.199 18531
1045 1 5 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.716 0.334 18531
1046 1 5 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.188 1.411 18531
1047 1 5 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.173 0.527 18531
1048 1 5 . 1 1 2 2 GLN H H 2 8.410 8.410 8.247 0.163 18531
1049 1 5 . 1 1 3 3 TYR N N 3 124.000 124.000 119.957 4.043 18531
1050 1 5 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.719 0.641 18531
1051 1 5 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.654 1.446 18531
1052 1 5 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.901 2.699 18531
1053 1 5 . 1 1 3 3 TYR H H 3 9.070 9.070 7.704 1.366 18531
1054 1 5 . 1 1 4 4 LYS N N 4 122.500 122.500 119.330 3.170 18531
1055 1 5 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.380 -0.160 18531
1056 1 5 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.076 0.924 18531
1057 1 5 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.809 -0.809 18531
1058 1 5 . 1 1 4 4 LYS H H 4 9.100 9.100 8.848 0.252 18531
1059 1 5 . 1 1 5 5 LEU N N 5 126.400 126.400 125.172 1.228 18531
1060 1 5 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.126 -0.156 18531
1061 1 5 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.026 -1.226 18531
1062 1 5 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.856 -2.256 18531
1063 1 5 . 1 1 5 5 LEU H H 5 8.620 8.620 8.440 0.180 18531
1064 1 5 . 1 1 6 6 VAL N N 6 127.000 127.000 127.503 -0.503 18531
1065 1 5 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.711 -0.551 18531
1066 1 5 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.203 1.097 18531
1067 1 5 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.002 -1.302 18531
1068 1 5 . 1 1 6 6 VAL H H 6 9.190 9.190 9.249 -0.059 18531
1069 1 5 . 1 1 7 7 ILE N N 7 125.400 125.400 126.008 -0.608 18531
1070 1 5 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.459 -0.369 18531
1071 1 5 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.631 0.069 18531
1072 1 5 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.151 0.849 18531
1073 1 5 . 1 1 7 7 ILE H H 7 8.800 8.800 9.104 -0.304 18531
1074 1 5 . 1 1 8 8 ASN N N 8 128.900 128.900 126.436 2.464 18531
1075 1 5 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.870 0.410 18531
1076 1 5 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.387 -1.587 18531
1077 1 5 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.646 -0.546 18531
1078 1 5 . 1 1 8 8 ASN H H 8 8.990 8.990 8.486 0.504 18531
1079 1 5 . 1 1 9 9 GLY N N 9 110.200 110.200 107.328 2.872 18531
1080 1 5 . 1 1 9 9 GLY CA C 9 44.700 44.700 45.124 -0.424 18531
1081 1 5 . 1 1 9 9 GLY H H 9 7.920 7.920 7.587 0.333 18531
1082 1 5 . 1 1 10 10 LYS N N 10 120.700 120.700 119.034 1.666 18531
1083 1 5 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.330 -0.270 18531
1084 1 5 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.512 0.688 18531
1085 1 5 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.359 -0.459 18531
1086 1 5 . 1 1 10 10 LYS H H 10 9.520 9.520 8.573 0.947 18531
1087 1 5 . 1 1 11 11 THR N N 11 108.900 108.900 110.178 -1.278 18531
1088 1 5 . 1 1 11 11 THR HA H 11 4.360 4.360 4.355 0.005 18531
1089 1 5 . 1 1 11 11 THR CA C 11 62.000 62.000 61.806 0.194 18531
1090 1 5 . 1 1 11 11 THR CB C 11 69.800 69.800 69.933 -0.133 18531
1091 1 5 . 1 1 11 11 THR H H 11 8.790 8.790 8.078 0.712 18531
1092 1 5 . 1 1 12 12 LEU N N 12 125.700 125.700 124.564 1.136 18531
1093 1 5 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.290 0.150 18531
1094 1 5 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.388 -0.388 18531
1095 1 5 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.471 0.829 18531
1096 1 5 . 1 1 12 12 LEU H H 12 7.580 7.580 8.143 -0.563 18531
1097 1 5 . 1 1 13 13 LYS N N 13 123.500 123.500 123.762 -0.262 18531
1098 1 5 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.447 -0.327 18531
1099 1 5 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.756 -0.856 18531
1100 1 5 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.948 -1.148 18531
1101 1 5 . 1 1 13 13 LYS H H 13 8.140 8.140 8.229 -0.089 18531
1102 1 5 . 1 1 14 14 GLY N N 14 109.100 109.100 110.053 -0.953 18531
1103 1 5 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.881 -0.681 18531
1104 1 5 . 1 1 14 14 GLY H H 14 8.340 8.340 8.039 0.301 18531
1105 1 5 . 1 1 15 15 GLU N N 15 118.200 118.200 118.910 -0.710 18531
1106 1 5 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.633 -0.033 18531
1107 1 5 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.646 -0.146 18531
1108 1 5 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.856 -0.056 18531
1109 1 5 . 1 1 15 15 GLU H H 15 8.390 8.390 8.324 0.066 18531
1110 1 5 . 1 1 16 16 THR N N 16 115.600 115.600 113.943 1.657 18531
1111 1 5 . 1 1 16 16 THR HA H 16 4.730 4.730 4.689 0.041 18531
1112 1 5 . 1 1 16 16 THR CA C 16 60.600 60.600 60.818 -0.218 18531
1113 1 5 . 1 1 16 16 THR CB C 16 69.500 69.500 69.958 -0.458 18531
1114 1 5 . 1 1 16 16 THR H H 16 8.820 8.820 8.455 0.365 18531
1115 1 5 . 1 1 17 17 THR N N 17 111.800 111.800 113.567 -1.767 18531
1116 1 5 . 1 1 17 17 THR HA H 17 5.790 5.790 5.701 0.089 18531
1117 1 5 . 1 1 17 17 THR CA C 17 59.800 59.800 60.337 -0.537 18531
1118 1 5 . 1 1 17 17 THR CB C 17 73.100 73.100 72.280 0.820 18531
1119 1 5 . 1 1 17 17 THR H H 17 8.140 8.140 8.191 -0.051 18531
1120 1 5 . 1 1 18 18 THR N N 18 115.100 115.100 113.374 1.726 18531
1121 1 5 . 1 1 18 18 THR HA H 18 4.640 4.640 4.462 0.178 18531
1122 1 5 . 1 1 18 18 THR CA C 18 61.900 61.900 61.260 0.640 18531
1123 1 5 . 1 1 18 18 THR CB C 18 70.000 70.000 69.559 0.441 18531
1124 1 5 . 1 1 18 18 THR H H 18 8.930 8.930 8.236 0.694 18531
1125 1 5 . 1 1 19 19 LYS N N 19 124.300 124.300 120.327 3.973 18531
1126 1 5 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.435 0.895 18531
1127 1 5 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.763 -0.763 18531
1128 1 5 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.805 -0.005 18531
1129 1 5 . 1 1 19 19 LYS H H 19 7.950 7.950 8.239 -0.289 18531
1130 1 5 . 1 1 20 20 ALA N N 20 124.600 124.600 126.402 -1.802 18531
1131 1 5 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.622 0.158 18531
1132 1 5 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.535 -0.635 18531
1133 1 5 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.875 2.925 18531
1134 1 5 . 1 1 20 20 ALA H H 20 9.110 9.110 8.247 0.863 18531
1135 1 5 . 1 1 21 21 VAL N N 21 115.300 115.300 115.875 -0.575 18531
1136 1 5 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.153 -0.043 18531
1137 1 5 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.722 0.578 18531
1138 1 5 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.310 0.890 18531
1139 1 5 . 1 1 21 21 VAL H H 21 8.480 8.480 8.171 0.309 18531
1140 1 5 . 1 1 22 22 ASP N N 22 115.200 115.200 113.774 1.426 18531
1141 1 5 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.673 0.037 18531
1142 1 5 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.504 -1.104 18531
1143 1 5 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.638 0.562 18531
1144 1 5 . 1 1 22 22 ASP H H 22 7.310 7.310 7.675 -0.365 18531
1145 1 5 . 1 1 23 23 ALA N N 23 121.000 121.000 123.326 -2.326 18531
1146 1 5 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.663 -0.323 18531
1147 1 5 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.964 -0.064 18531
1148 1 5 . 1 1 23 23 ALA CB C 23 17.500 17.500 17.931 -0.431 18531
1149 1 5 . 1 1 23 23 ALA H H 23 8.370 8.370 8.649 -0.279 18531
1150 1 5 . 1 1 24 24 GLU N N 24 118.900 118.900 118.269 0.631 18531
1151 1 5 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.119 -0.259 18531
1152 1 5 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.015 0.685 18531
1153 1 5 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.032 0.068 18531
1154 1 5 . 1 1 24 24 GLU H H 24 8.410 8.410 8.417 -0.007 18531
1155 1 5 . 1 1 25 25 THR N N 25 117.400 117.400 115.854 1.546 18531
1156 1 5 . 1 1 25 25 THR HA H 25 3.670 3.670 4.145 -0.475 18531
1157 1 5 . 1 1 25 25 THR CA C 25 66.800 66.800 65.412 1.388 18531
1158 1 5 . 1 1 25 25 THR CB C 25 68.000 68.000 69.016 -1.016 18531
1159 1 5 . 1 1 25 25 THR H H 25 8.380 8.380 8.003 0.377 18531
1160 1 5 . 1 1 26 26 ALA N N 26 125.100 125.100 124.116 0.984 18531
1161 1 5 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.087 -0.897 18531
1162 1 5 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.448 0.552 18531
1163 1 5 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.575 -1.275 18531
1164 1 5 . 1 1 26 26 ALA H H 26 7.220 7.220 8.382 -1.162 18531
1165 1 5 . 1 1 27 27 GLU N N 27 117.400 117.400 119.417 -2.017 18531
1166 1 5 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.931 -1.341 18531
1167 1 5 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.725 -0.025 18531
1168 1 5 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.341 -0.141 18531
1169 1 5 . 1 1 27 27 GLU H H 27 8.370 8.370 8.448 -0.078 18531
1170 1 5 . 1 1 28 28 LYS N N 28 116.300 116.300 118.714 -2.414 18531
1171 1 5 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.844 -0.174 18531
1172 1 5 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.433 0.167 18531
1173 1 5 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.876 0.324 18531
1174 1 5 . 1 1 28 28 LYS H H 28 7.170 7.170 7.561 -0.391 18531
1175 1 5 . 1 1 29 29 ALA N N 29 122.000 122.000 120.459 1.541 18531
1176 1 5 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.115 -0.025 18531
1177 1 5 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.755 -0.055 18531
1178 1 5 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.131 -0.631 18531
1179 1 5 . 1 1 29 29 ALA H H 29 7.200 7.200 7.676 -0.476 18531
1180 1 5 . 1 1 30 30 PHE N N 30 119.600 119.600 117.562 2.038 18531
1181 1 5 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.535 0.245 18531
1182 1 5 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.748 -3.148 18531
1183 1 5 . 1 1 30 30 PHE CB C 30 37.400 37.400 39.028 -1.628 18531
1184 1 5 . 1 1 30 30 PHE H H 30 8.610 8.610 7.624 0.986 18531
1185 1 5 . 1 1 31 31 LYS N N 31 122.800 122.800 119.886 2.914 18531
1186 1 5 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.681 0.409 18531
1187 1 5 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.439 0.261 18531
1188 1 5 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.852 -0.252 18531
1189 1 5 . 1 1 31 31 LYS H H 31 9.030 9.030 8.331 0.699 18531
1190 1 5 . 1 1 32 32 GLN N N 32 119.600 119.600 119.981 -0.381 18531
1191 1 5 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.042 -0.012 18531
1192 1 5 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.478 -0.778 18531
1193 1 5 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.521 -0.421 18531
1194 1 5 . 1 1 32 32 GLN H H 32 7.510 7.510 8.650 -1.140 18531
1195 1 5 . 1 1 33 33 TYR N N 33 120.400 120.400 120.750 -0.350 18531
1196 1 5 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.198 0.052 18531
1197 1 5 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.273 0.527 18531
1198 1 5 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.318 0.382 18531
1199 1 5 . 1 1 33 33 TYR H H 33 8.080 8.080 7.776 0.304 18531
1200 1 5 . 1 1 34 34 ALA N N 34 122.300 122.300 121.123 1.177 18531
1201 1 5 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.950 -0.170 18531
1202 1 5 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.842 1.258 18531
1203 1 5 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.755 -1.055 18531
1204 1 5 . 1 1 34 34 ALA H H 34 9.210 9.210 7.625 1.585 18531
1205 1 5 . 1 1 35 35 ASN N N 35 117.700 117.700 118.798 -1.098 18531
1206 1 5 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.473 -0.013 18531
1207 1 5 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.894 1.106 18531
1208 1 5 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.036 0.964 18531
1209 1 5 . 1 1 35 35 ASN H H 35 8.390 8.390 8.572 -0.182 18531
1210 1 5 . 1 1 36 36 ASP N N 36 121.100 121.100 120.724 0.376 18531
1211 1 5 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.458 -0.098 18531
1212 1 5 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.765 -0.065 18531
1213 1 5 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.499 -0.499 18531
1214 1 5 . 1 1 36 36 ASP H H 36 8.830 8.830 8.767 0.063 18531
1215 1 5 . 1 1 37 37 ASN N N 37 115.200 115.200 115.833 -0.633 18531
1216 1 5 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.789 -0.179 18531
1217 1 5 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.493 1.206 18531
1218 1 5 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.151 0.849 18531
1219 1 5 . 1 1 37 37 ASN H H 37 7.390 7.390 7.845 -0.455 18531
1220 1 5 . 1 1 38 38 GLY N N 38 108.200 108.200 110.190 -1.990 18531
1221 1 5 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.133 1.267 18531
1222 1 5 . 1 1 38 38 GLY H H 38 7.800 7.800 8.228 -0.428 18531
1223 1 5 . 1 1 39 39 VAL N N 39 120.800 120.800 118.921 1.879 18531
1224 1 5 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.881 0.259 18531
1225 1 5 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.602 -0.902 18531
1226 1 5 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.370 1.930 18531
1227 1 5 . 1 1 39 39 VAL H H 39 8.120 8.120 8.202 -0.082 18531
1228 1 5 . 1 1 40 40 ASP N N 40 128.000 128.000 125.387 2.613 18531
1229 1 5 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.858 0.032 18531
1230 1 5 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.855 -1.055 18531
1231 1 5 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.560 -0.460 18531
1232 1 5 . 1 1 40 40 ASP H H 40 8.770 8.770 8.187 0.583 18531
1233 1 5 . 1 1 41 41 GLY N N 41 107.100 107.100 109.377 -2.277 18531
1234 1 5 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.310 1.090 18531
1235 1 5 . 1 1 41 41 GLY H H 41 7.910 7.910 7.932 -0.022 18531
1236 1 5 . 1 1 42 42 VAL N N 42 120.300 120.300 117.848 2.452 18531
1237 1 5 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.463 -0.083 18531
1238 1 5 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.103 0.996 18531
1239 1 5 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.080 0.320 18531
1240 1 5 . 1 1 42 42 VAL H H 42 8.250 8.250 7.948 0.302 18531
1241 1 5 . 1 1 43 43 TRP N N 43 130.700 130.700 127.416 3.284 18531
1242 1 5 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.956 0.404 18531
1243 1 5 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.677 0.923 18531
1244 1 5 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.350 -0.150 18531
1245 1 5 . 1 1 43 43 TRP H H 43 9.360 9.360 8.494 0.866 18531
1246 1 5 . 1 1 44 44 THR N N 44 114.500 114.500 118.329 -3.829 18531
1247 1 5 . 1 1 44 44 THR HA H 44 4.830 4.830 4.619 0.211 18531
1248 1 5 . 1 1 44 44 THR CA C 44 60.300 60.300 61.112 -0.812 18531
1249 1 5 . 1 1 44 44 THR CB C 44 72.100 72.100 70.398 1.702 18531
1250 1 5 . 1 1 44 44 THR H H 44 9.400 9.400 8.700 0.700 18531
1251 1 5 . 1 1 45 45 TYR N N 45 120.100 120.100 125.667 -5.567 18531
1252 1 5 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.793 0.177 18531
1253 1 5 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.343 -0.343 18531
1254 1 5 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.461 1.139 18531
1255 1 5 . 1 1 45 45 TYR H H 45 8.580 8.580 8.365 0.215 18531
1256 1 5 . 1 1 46 46 ASP N N 46 128.300 128.300 124.833 3.467 18531
1257 1 5 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.419 0.161 18531
1258 1 5 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.918 -0.018 18531
1259 1 5 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.548 -1.448 18531
1260 1 5 . 1 1 46 46 ASP H H 46 7.580 7.580 8.488 -0.908 18531
1261 1 5 . 1 1 47 47 ASP N N 47 124.800 124.800 123.797 1.003 18531
1262 1 5 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.482 -0.372 18531
1263 1 5 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.151 0.349 18531
1264 1 5 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.164 0.935 18531
1265 1 5 . 1 1 47 47 ASP H H 47 8.590 8.590 8.408 0.182 18531
1266 1 5 . 1 1 48 48 ALA N N 48 119.700 119.700 121.748 -2.048 18531
1267 1 5 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.178 -0.088 18531
1268 1 5 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.914 1.086 18531
1269 1 5 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.804 -0.504 18531
1270 1 5 . 1 1 48 48 ALA H H 48 8.340 8.340 7.872 0.468 18531
1271 1 5 . 1 1 49 49 THR N N 49 103.200 103.200 111.286 -8.086 18531
1272 1 5 . 1 1 49 49 THR HA H 49 4.390 4.390 4.428 -0.037 18531
1273 1 5 . 1 1 49 49 THR CA C 49 60.200 60.200 60.543 -0.343 18531
1274 1 5 . 1 1 49 49 THR CB C 49 70.000 70.000 69.642 0.358 18531
1275 1 5 . 1 1 49 49 THR H H 49 7.000 7.000 8.198 -1.198 18531
1276 1 5 . 1 1 50 50 LYS N N 50 123.100 123.100 120.970 2.130 18531
1277 1 5 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.604 -0.414 18531
1278 1 5 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.270 1.330 18531
1279 1 5 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.057 -4.457 18531
1280 1 5 . 1 1 50 50 LYS H H 50 7.860 7.860 8.364 -0.504 18531
1281 1 5 . 1 1 51 51 THR N N 51 111.200 111.200 117.185 -5.985 18531
1282 1 5 . 1 1 51 51 THR HA H 51 5.490 5.490 4.498 0.992 18531
1283 1 5 . 1 1 51 51 THR CA C 51 62.300 62.300 61.837 0.463 18531
1284 1 5 . 1 1 51 51 THR CB C 51 72.100 72.100 69.209 2.891 18531
1285 1 5 . 1 1 51 51 THR H H 51 7.390 7.390 7.487 -0.097 18531
1286 1 5 . 1 1 52 52 PHE N N 52 131.000 131.000 128.285 2.715 18531
1287 1 5 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.114 0.516 18531
1288 1 5 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.866 2.434 18531
1289 1 5 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.951 1.649 18531
1290 1 5 . 1 1 52 52 PHE H H 52 10.390 10.390 8.408 1.982 18531
1291 1 5 . 1 1 53 53 THR N N 53 117.400 117.400 116.868 0.532 18531
1292 1 5 . 1 1 53 53 THR HA H 53 5.270 5.270 5.191 0.079 18531
1293 1 5 . 1 1 53 53 THR CA C 53 61.200 61.200 61.619 -0.419 18531
1294 1 5 . 1 1 53 53 THR CB C 53 71.000 71.000 71.737 -0.737 18531
1295 1 5 . 1 1 53 53 THR H H 53 9.180 9.180 8.743 0.437 18531
1296 1 5 . 1 1 54 54 VAL N N 54 123.000 123.000 124.942 -1.942 18531
1297 1 5 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.502 -0.042 18531
1298 1 5 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.134 -1.034 18531
1299 1 5 . 1 1 54 54 VAL CB C 54 32.300 32.300 35.225 -2.925 18531
1300 1 5 . 1 1 54 54 VAL H H 54 8.280 8.280 8.586 -0.306 18531
1301 1 5 . 1 1 55 55 THR N N 55 123.900 123.900 117.982 5.918 18531
1302 1 5 . 1 1 55 55 THR HA H 55 4.700 4.700 4.632 0.068 18531
1303 1 5 . 1 1 55 55 THR CA C 55 61.200 61.200 59.458 1.742 18531
1304 1 5 . 1 1 55 55 THR CB C 55 70.700 70.700 70.891 -0.191 18531
1305 1 5 . 1 1 55 55 THR H H 55 8.320 8.320 8.150 0.170 18531
1306 1 6 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.318 0.732 18531
1307 1 6 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.074 0.526 18531
1308 1 6 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.129 -0.429 18531
1309 1 6 . 1 1 2 2 GLN H H 2 8.410 8.410 8.202 0.208 18531
1310 1 6 . 1 1 3 3 TYR N N 3 124.000 124.000 122.229 1.771 18531
1311 1 6 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.069 0.291 18531
1312 1 6 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.105 0.995 18531
1313 1 6 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.489 2.111 18531
1314 1 6 . 1 1 3 3 TYR H H 3 9.070 9.070 8.193 0.877 18531
1315 1 6 . 1 1 4 4 LYS N N 4 122.500 122.500 119.523 2.977 18531
1316 1 6 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.189 0.031 18531
1317 1 6 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.363 0.637 18531
1318 1 6 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.635 -0.635 18531
1319 1 6 . 1 1 4 4 LYS H H 4 9.100 9.100 9.226 -0.126 18531
1320 1 6 . 1 1 5 5 LEU N N 5 126.400 126.400 125.773 0.627 18531
1321 1 6 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.116 -0.146 18531
1322 1 6 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.263 -1.463 18531
1323 1 6 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.079 -2.479 18531
1324 1 6 . 1 1 5 5 LEU H H 5 8.620 8.620 8.635 -0.015 18531
1325 1 6 . 1 1 6 6 VAL N N 6 127.000 127.000 126.746 0.254 18531
1326 1 6 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.649 -0.489 18531
1327 1 6 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.167 1.133 18531
1328 1 6 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.953 -1.253 18531
1329 1 6 . 1 1 6 6 VAL H H 6 9.190 9.190 9.140 0.050 18531
1330 1 6 . 1 1 7 7 ILE N N 7 125.400 125.400 126.280 -0.880 18531
1331 1 6 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.308 -0.218 18531
1332 1 6 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.525 0.175 18531
1333 1 6 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.018 0.982 18531
1334 1 6 . 1 1 7 7 ILE H H 7 8.800 8.800 9.076 -0.276 18531
1335 1 6 . 1 1 8 8 ASN N N 8 128.900 128.900 127.100 1.800 18531
1336 1 6 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.843 0.437 18531
1337 1 6 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.475 -1.675 18531
1338 1 6 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.033 0.067 18531
1339 1 6 . 1 1 8 8 ASN H H 8 8.990 8.990 8.310 0.680 18531
1340 1 6 . 1 1 9 9 GLY N N 9 110.200 110.200 107.433 2.767 18531
1341 1 6 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.906 0.794 18531
1342 1 6 . 1 1 9 9 GLY H H 9 7.920 7.920 7.564 0.356 18531
1343 1 6 . 1 1 10 10 LYS N N 10 120.700 120.700 119.176 1.524 18531
1344 1 6 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.326 -0.266 18531
1345 1 6 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.094 0.106 18531
1346 1 6 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.022 -0.122 18531
1347 1 6 . 1 1 10 10 LYS H H 10 9.520 9.520 8.654 0.866 18531
1348 1 6 . 1 1 11 11 THR N N 11 108.900 108.900 109.160 -0.260 18531
1349 1 6 . 1 1 11 11 THR HA H 11 4.360 4.360 4.313 0.047 18531
1350 1 6 . 1 1 11 11 THR CA C 11 62.000 62.000 61.543 0.457 18531
1351 1 6 . 1 1 11 11 THR CB C 11 69.800 69.800 69.724 0.076 18531
1352 1 6 . 1 1 11 11 THR H H 11 8.790 8.790 7.832 0.958 18531
1353 1 6 . 1 1 12 12 LEU N N 12 125.700 125.700 124.448 1.252 18531
1354 1 6 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.370 0.070 18531
1355 1 6 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.860 0.140 18531
1356 1 6 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.398 0.902 18531
1357 1 6 . 1 1 12 12 LEU H H 12 7.580 7.580 7.887 -0.307 18531
1358 1 6 . 1 1 13 13 LYS N N 13 123.500 123.500 123.949 -0.449 18531
1359 1 6 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.362 -0.242 18531
1360 1 6 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.845 -0.945 18531
1361 1 6 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.856 -1.056 18531
1362 1 6 . 1 1 13 13 LYS H H 13 8.140 8.140 8.336 -0.196 18531
1363 1 6 . 1 1 14 14 GLY N N 14 109.100 109.100 109.891 -0.791 18531
1364 1 6 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.546 -0.346 18531
1365 1 6 . 1 1 14 14 GLY H H 14 8.340 8.340 8.082 0.258 18531
1366 1 6 . 1 1 15 15 GLU N N 15 118.200 118.200 119.520 -1.320 18531
1367 1 6 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.581 0.019 18531
1368 1 6 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.761 -0.261 18531
1369 1 6 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.853 -0.053 18531
1370 1 6 . 1 1 15 15 GLU H H 15 8.390 8.390 8.500 -0.110 18531
1371 1 6 . 1 1 16 16 THR N N 16 115.600 115.600 112.454 3.146 18531
1372 1 6 . 1 1 16 16 THR HA H 16 4.730 4.730 4.675 0.055 18531
1373 1 6 . 1 1 16 16 THR CA C 16 60.600 60.600 60.976 -0.376 18531
1374 1 6 . 1 1 16 16 THR CB C 16 69.500 69.500 71.138 -1.639 18531
1375 1 6 . 1 1 16 16 THR H H 16 8.820 8.820 8.568 0.252 18531
1376 1 6 . 1 1 17 17 THR N N 17 111.800 111.800 110.295 1.505 18531
1377 1 6 . 1 1 17 17 THR HA H 17 5.790 5.790 5.120 0.670 18531
1378 1 6 . 1 1 17 17 THR CA C 17 59.800 59.800 60.310 -0.510 18531
1379 1 6 . 1 1 17 17 THR CB C 17 73.100 73.100 71.709 1.391 18531
1380 1 6 . 1 1 17 17 THR H H 17 8.140 8.140 8.210 -0.070 18531
1381 1 6 . 1 1 18 18 THR N N 18 115.100 115.100 113.805 1.295 18531
1382 1 6 . 1 1 18 18 THR HA H 18 4.640 4.640 4.417 0.223 18531
1383 1 6 . 1 1 18 18 THR CA C 18 61.900 61.900 61.607 0.293 18531
1384 1 6 . 1 1 18 18 THR CB C 18 70.000 70.000 69.651 0.349 18531
1385 1 6 . 1 1 18 18 THR H H 18 8.930 8.930 8.549 0.381 18531
1386 1 6 . 1 1 19 19 LYS N N 19 124.300 124.300 120.115 4.185 18531
1387 1 6 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.392 0.938 18531
1388 1 6 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.710 -0.710 18531
1389 1 6 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.801 -0.001 18531
1390 1 6 . 1 1 19 19 LYS H H 19 7.950 7.950 8.171 -0.221 18531
1391 1 6 . 1 1 20 20 ALA N N 20 124.600 124.600 126.157 -1.557 18531
1392 1 6 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.592 0.188 18531
1393 1 6 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.038 -0.138 18531
1394 1 6 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.582 2.218 18531
1395 1 6 . 1 1 20 20 ALA H H 20 9.110 9.110 8.140 0.970 18531
1396 1 6 . 1 1 21 21 VAL N N 21 115.300 115.300 119.814 -4.514 18531
1397 1 6 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.864 0.246 18531
1398 1 6 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.526 -1.226 18531
1399 1 6 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.025 1.175 18531
1400 1 6 . 1 1 21 21 VAL H H 21 8.480 8.480 8.667 -0.187 18531
1401 1 6 . 1 1 22 22 ASP N N 22 115.200 115.200 113.189 2.011 18531
1402 1 6 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.722 -0.012 18531
1403 1 6 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.651 -0.251 18531
1404 1 6 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.516 0.684 18531
1405 1 6 . 1 1 22 22 ASP H H 22 7.310 7.310 7.688 -0.378 18531
1406 1 6 . 1 1 23 23 ALA N N 23 121.000 121.000 122.675 -1.675 18531
1407 1 6 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.694 -0.354 18531
1408 1 6 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.094 -0.194 18531
1409 1 6 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.426 -0.926 18531
1410 1 6 . 1 1 23 23 ALA H H 23 8.370 8.370 8.648 -0.278 18531
1411 1 6 . 1 1 24 24 GLU N N 24 118.900 118.900 119.662 -0.762 18531
1412 1 6 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.942 -0.082 18531
1413 1 6 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.585 0.115 18531
1414 1 6 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.074 0.026 18531
1415 1 6 . 1 1 24 24 GLU H H 24 8.410 8.410 8.437 -0.027 18531
1416 1 6 . 1 1 25 25 THR N N 25 117.400 117.400 113.594 3.806 18531
1417 1 6 . 1 1 25 25 THR HA H 25 3.670 3.670 4.156 -0.486 18531
1418 1 6 . 1 1 25 25 THR CA C 25 66.800 66.800 64.530 2.270 18531
1419 1 6 . 1 1 25 25 THR CB C 25 68.000 68.000 68.746 -0.746 18531
1420 1 6 . 1 1 25 25 THR H H 25 8.380 8.380 8.033 0.347 18531
1421 1 6 . 1 1 26 26 ALA N N 26 125.100 125.100 124.442 0.658 18531
1422 1 6 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.816 -0.626 18531
1423 1 6 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.817 0.183 18531
1424 1 6 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.149 -0.849 18531
1425 1 6 . 1 1 26 26 ALA H H 26 7.220 7.220 8.271 -1.051 18531
1426 1 6 . 1 1 27 27 GLU N N 27 117.400 117.400 118.821 -1.421 18531
1427 1 6 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.722 -1.132 18531
1428 1 6 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.542 0.158 18531
1429 1 6 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.370 -0.171 18531
1430 1 6 . 1 1 27 27 GLU H H 27 8.370 8.370 8.362 0.008 18531
1431 1 6 . 1 1 28 28 LYS N N 28 116.300 116.300 119.085 -2.785 18531
1432 1 6 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.805 -0.135 18531
1433 1 6 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.652 -0.052 18531
1434 1 6 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.080 0.120 18531
1435 1 6 . 1 1 28 28 LYS H H 28 7.170 7.170 7.422 -0.252 18531
1436 1 6 . 1 1 29 29 ALA N N 29 122.000 122.000 121.596 0.404 18531
1437 1 6 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.993 0.097 18531
1438 1 6 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.815 -0.115 18531
1439 1 6 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.172 -0.672 18531
1440 1 6 . 1 1 29 29 ALA H H 29 7.200 7.200 7.341 -0.141 18531
1441 1 6 . 1 1 30 30 PHE N N 30 119.600 119.600 116.961 2.639 18531
1442 1 6 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.329 0.451 18531
1443 1 6 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.025 -3.425 18531
1444 1 6 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.482 -1.082 18531
1445 1 6 . 1 1 30 30 PHE H H 30 8.610 8.610 7.481 1.129 18531
1446 1 6 . 1 1 31 31 LYS N N 31 122.800 122.800 119.452 3.348 18531
1447 1 6 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.998 0.092 18531
1448 1 6 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.191 0.509 18531
1449 1 6 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.134 -0.534 18531
1450 1 6 . 1 1 31 31 LYS H H 31 9.030 9.030 8.154 0.876 18531
1451 1 6 . 1 1 32 32 GLN N N 32 119.600 119.600 120.006 -0.406 18531
1452 1 6 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.971 0.059 18531
1453 1 6 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.397 -0.697 18531
1454 1 6 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.514 -0.414 18531
1455 1 6 . 1 1 32 32 GLN H H 32 7.510 7.510 8.621 -1.111 18531
1456 1 6 . 1 1 33 33 TYR N N 33 120.400 120.400 120.019 0.381 18531
1457 1 6 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.545 -0.295 18531
1458 1 6 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.679 1.121 18531
1459 1 6 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.273 0.427 18531
1460 1 6 . 1 1 33 33 TYR H H 33 8.080 8.080 7.802 0.278 18531
1461 1 6 . 1 1 34 34 ALA N N 34 122.300 122.300 121.409 0.891 18531
1462 1 6 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.011 -0.231 18531
1463 1 6 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.270 0.829 18531
1464 1 6 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.528 -0.828 18531
1465 1 6 . 1 1 34 34 ALA H H 34 9.210 9.210 7.549 1.661 18531
1466 1 6 . 1 1 35 35 ASN N N 35 117.700 117.700 117.373 0.327 18531
1467 1 6 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.464 -0.004 18531
1468 1 6 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.771 1.229 18531
1469 1 6 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.007 0.993 18531
1470 1 6 . 1 1 35 35 ASN H H 35 8.390 8.390 8.012 0.378 18531
1471 1 6 . 1 1 36 36 ASP N N 36 121.100 121.100 121.210 -0.110 18531
1472 1 6 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.374 -0.014 18531
1473 1 6 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.908 -0.208 18531
1474 1 6 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.230 -0.230 18531
1475 1 6 . 1 1 36 36 ASP H H 36 8.830 8.830 8.075 0.754 18531
1476 1 6 . 1 1 37 37 ASN N N 37 115.200 115.200 115.203 -0.003 18531
1477 1 6 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.848 -0.238 18531
1478 1 6 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.438 1.262 18531
1479 1 6 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.505 1.495 18531
1480 1 6 . 1 1 37 37 ASN H H 37 7.390 7.390 7.445 -0.055 18531
1481 1 6 . 1 1 38 38 GLY N N 38 108.200 108.200 108.512 -0.312 18531
1482 1 6 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.197 0.203 18531
1483 1 6 . 1 1 38 38 GLY H H 38 7.800 7.800 8.168 -0.368 18531
1484 1 6 . 1 1 39 39 VAL N N 39 120.800 120.800 119.636 1.164 18531
1485 1 6 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.035 0.105 18531
1486 1 6 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.428 -0.728 18531
1487 1 6 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.645 1.655 18531
1488 1 6 . 1 1 39 39 VAL H H 39 8.120 8.120 8.164 -0.044 18531
1489 1 6 . 1 1 40 40 ASP N N 40 128.000 128.000 127.671 0.329 18531
1490 1 6 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.791 0.099 18531
1491 1 6 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.423 0.377 18531
1492 1 6 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.360 -1.260 18531
1493 1 6 . 1 1 40 40 ASP H H 40 8.770 8.770 8.349 0.421 18531
1494 1 6 . 1 1 41 41 GLY N N 41 107.100 107.100 107.745 -0.645 18531
1495 1 6 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.008 0.393 18531
1496 1 6 . 1 1 41 41 GLY H H 41 7.910 7.910 8.060 -0.150 18531
1497 1 6 . 1 1 42 42 VAL N N 42 120.300 120.300 118.032 2.268 18531
1498 1 6 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.537 -0.157 18531
1499 1 6 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.424 0.676 18531
1500 1 6 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.372 0.028 18531
1501 1 6 . 1 1 42 42 VAL H H 42 8.250 8.250 7.490 0.760 18531
1502 1 6 . 1 1 43 43 TRP N N 43 130.700 130.700 127.650 3.050 18531
1503 1 6 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.032 0.328 18531
1504 1 6 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.343 1.257 18531
1505 1 6 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.715 0.485 18531
1506 1 6 . 1 1 43 43 TRP H H 43 9.360 9.360 8.663 0.697 18531
1507 1 6 . 1 1 44 44 THR N N 44 114.500 114.500 118.353 -3.853 18531
1508 1 6 . 1 1 44 44 THR HA H 44 4.830 4.830 4.841 -0.011 18531
1509 1 6 . 1 1 44 44 THR CA C 44 60.300 60.300 61.687 -1.387 18531
1510 1 6 . 1 1 44 44 THR CB C 44 72.100 72.100 70.138 1.962 18531
1511 1 6 . 1 1 44 44 THR H H 44 9.400 9.400 8.450 0.950 18531
1512 1 6 . 1 1 45 45 TYR N N 45 120.100 120.100 125.816 -5.716 18531
1513 1 6 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.768 0.203 18531
1514 1 6 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.364 0.636 18531
1515 1 6 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.959 1.641 18531
1516 1 6 . 1 1 45 45 TYR H H 45 8.580 8.580 8.299 0.281 18531
1517 1 6 . 1 1 46 46 ASP N N 46 128.300 128.300 122.773 5.527 18531
1518 1 6 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.453 0.127 18531
1519 1 6 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.104 -0.204 18531
1520 1 6 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.314 -1.214 18531
1521 1 6 . 1 1 46 46 ASP H H 46 7.580 7.580 8.325 -0.745 18531
1522 1 6 . 1 1 47 47 ASP N N 47 124.800 124.800 122.779 2.021 18531
1523 1 6 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.409 -0.299 18531
1524 1 6 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.623 -0.123 18531
1525 1 6 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.114 0.986 18531
1526 1 6 . 1 1 47 47 ASP H H 47 8.590 8.590 8.435 0.155 18531
1527 1 6 . 1 1 48 48 ALA N N 48 119.700 119.700 121.201 -1.501 18531
1528 1 6 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.085 0.005 18531
1529 1 6 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.164 0.836 18531
1530 1 6 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.026 -0.726 18531
1531 1 6 . 1 1 48 48 ALA H H 48 8.340 8.340 8.458 -0.118 18531
1532 1 6 . 1 1 49 49 THR N N 49 103.200 103.200 111.022 -7.822 18531
1533 1 6 . 1 1 49 49 THR HA H 49 4.390 4.390 4.511 -0.121 18531
1534 1 6 . 1 1 49 49 THR CA C 49 60.200 60.200 60.392 -0.192 18531
1535 1 6 . 1 1 49 49 THR CB C 49 70.000 70.000 70.622 -0.622 18531
1536 1 6 . 1 1 49 49 THR H H 49 7.000 7.000 7.660 -0.660 18531
1537 1 6 . 1 1 50 50 LYS N N 50 123.100 123.100 118.868 4.232 18531
1538 1 6 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.622 -0.432 18531
1539 1 6 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.834 0.766 18531
1540 1 6 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.442 -4.842 18531
1541 1 6 . 1 1 50 50 LYS H H 50 7.860 7.860 8.359 -0.499 18531
1542 1 6 . 1 1 51 51 THR N N 51 111.200 111.200 116.185 -4.985 18531
1543 1 6 . 1 1 51 51 THR HA H 51 5.490 5.490 5.099 0.391 18531
1544 1 6 . 1 1 51 51 THR CA C 51 62.300 62.300 60.855 1.445 18531
1545 1 6 . 1 1 51 51 THR CB C 51 72.100 72.100 69.824 2.276 18531
1546 1 6 . 1 1 51 51 THR H H 51 7.390 7.390 7.822 -0.432 18531
1547 1 6 . 1 1 52 52 PHE N N 52 131.000 131.000 128.341 2.659 18531
1548 1 6 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.834 0.796 18531
1549 1 6 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.013 1.287 18531
1550 1 6 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.125 1.475 18531
1551 1 6 . 1 1 52 52 PHE H H 52 10.390 10.390 9.341 1.049 18531
1552 1 6 . 1 1 53 53 THR N N 53 117.400 117.400 120.749 -3.349 18531
1553 1 6 . 1 1 53 53 THR HA H 53 5.270 5.270 4.951 0.319 18531
1554 1 6 . 1 1 53 53 THR CA C 53 61.200 61.200 61.823 -0.623 18531
1555 1 6 . 1 1 53 53 THR CB C 53 71.000 71.000 70.264 0.736 18531
1556 1 6 . 1 1 53 53 THR H H 53 9.180 9.180 8.503 0.677 18531
1557 1 6 . 1 1 54 54 VAL N N 54 123.000 123.000 127.617 -4.617 18531
1558 1 6 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.578 -0.118 18531
1559 1 6 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.072 -0.972 18531
1560 1 6 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.334 -2.034 18531
1561 1 6 . 1 1 54 54 VAL H H 54 8.280 8.280 8.377 -0.097 18531
1562 1 6 . 1 1 55 55 THR N N 55 123.900 123.900 125.396 -1.496 18531
1563 1 6 . 1 1 55 55 THR HA H 55 4.700 4.700 4.854 -0.154 18531
1564 1 6 . 1 1 55 55 THR CA C 55 61.200 61.200 61.320 -0.120 18531
1565 1 6 . 1 1 55 55 THR CB C 55 70.700 70.700 69.948 0.752 18531
1566 1 6 . 1 1 55 55 THR H H 55 8.320 8.320 8.221 0.099 18531
1567 1 7 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.010 1.040 18531
1568 1 7 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.989 -0.389 18531
1569 1 7 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.623 2.077 18531
1570 1 7 . 1 1 2 2 GLN H H 2 8.410 8.410 8.126 0.284 18531
1571 1 7 . 1 1 3 3 TYR N N 3 124.000 124.000 121.402 2.598 18531
1572 1 7 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.160 0.200 18531
1573 1 7 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.730 0.370 18531
1574 1 7 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.767 0.833 18531
1575 1 7 . 1 1 3 3 TYR H H 3 9.070 9.070 8.886 0.184 18531
1576 1 7 . 1 1 4 4 LYS N N 4 122.500 122.500 120.139 2.361 18531
1577 1 7 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.361 -0.141 18531
1578 1 7 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.386 0.614 18531
1579 1 7 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.974 -0.974 18531
1580 1 7 . 1 1 4 4 LYS H H 4 9.100 9.100 9.285 -0.185 18531
1581 1 7 . 1 1 5 5 LEU N N 5 126.400 126.400 125.462 0.938 18531
1582 1 7 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.335 -0.365 18531
1583 1 7 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.868 -1.068 18531
1584 1 7 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.429 -2.829 18531
1585 1 7 . 1 1 5 5 LEU H H 5 8.620 8.620 8.840 -0.220 18531
1586 1 7 . 1 1 6 6 VAL N N 6 127.000 127.000 127.091 -0.091 18531
1587 1 7 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.736 -0.576 18531
1588 1 7 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.597 1.703 18531
1589 1 7 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.752 -2.052 18531
1590 1 7 . 1 1 6 6 VAL H H 6 9.190 9.190 9.292 -0.102 18531
1591 1 7 . 1 1 7 7 ILE N N 7 125.400 125.400 125.517 -0.117 18531
1592 1 7 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.294 -0.204 18531
1593 1 7 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.752 -0.052 18531
1594 1 7 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.250 0.750 18531
1595 1 7 . 1 1 7 7 ILE H H 7 8.800 8.800 8.765 0.035 18531
1596 1 7 . 1 1 8 8 ASN N N 8 128.900 128.900 127.192 1.708 18531
1597 1 7 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.996 0.284 18531
1598 1 7 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.883 -1.083 18531
1599 1 7 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.951 -0.851 18531
1600 1 7 . 1 1 8 8 ASN H H 8 8.990 8.990 8.113 0.877 18531
1601 1 7 . 1 1 9 9 GLY N N 9 110.200 110.200 108.003 2.197 18531
1602 1 7 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.320 0.380 18531
1603 1 7 . 1 1 9 9 GLY H H 9 7.920 7.920 7.649 0.271 18531
1604 1 7 . 1 1 10 10 LYS N N 10 120.700 120.700 119.562 1.138 18531
1605 1 7 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.269 -0.209 18531
1606 1 7 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.446 0.755 18531
1607 1 7 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.215 -0.315 18531
1608 1 7 . 1 1 10 10 LYS H H 10 9.520 9.520 8.614 0.906 18531
1609 1 7 . 1 1 11 11 THR N N 11 108.900 108.900 112.631 -3.731 18531
1610 1 7 . 1 1 11 11 THR HA H 11 4.360 4.360 4.443 -0.083 18531
1611 1 7 . 1 1 11 11 THR CA C 11 62.000 62.000 61.602 0.398 18531
1612 1 7 . 1 1 11 11 THR CB C 11 69.800 69.800 69.174 0.626 18531
1613 1 7 . 1 1 11 11 THR H H 11 8.790 8.790 8.152 0.638 18531
1614 1 7 . 1 1 12 12 LEU N N 12 125.700 125.700 124.224 1.476 18531
1615 1 7 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.595 -0.155 18531
1616 1 7 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.031 -0.031 18531
1617 1 7 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.984 -0.684 18531
1618 1 7 . 1 1 12 12 LEU H H 12 7.580 7.580 7.655 -0.075 18531
1619 1 7 . 1 1 13 13 LYS N N 13 123.500 123.500 124.121 -0.621 18531
1620 1 7 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.622 -0.502 18531
1621 1 7 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.532 -0.632 18531
1622 1 7 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.566 -0.766 18531
1623 1 7 . 1 1 13 13 LYS H H 13 8.140 8.140 8.339 -0.199 18531
1624 1 7 . 1 1 14 14 GLY N N 14 109.100 109.100 109.668 -0.568 18531
1625 1 7 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.039 -0.839 18531
1626 1 7 . 1 1 14 14 GLY H H 14 8.340 8.340 8.061 0.279 18531
1627 1 7 . 1 1 15 15 GLU N N 15 118.200 118.200 119.192 -0.992 18531
1628 1 7 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.586 0.014 18531
1629 1 7 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.925 -1.425 18531
1630 1 7 . 1 1 15 15 GLU CB C 15 33.800 33.800 34.087 -0.287 18531
1631 1 7 . 1 1 15 15 GLU H H 15 8.390 8.390 8.342 0.048 18531
1632 1 7 . 1 1 16 16 THR N N 16 115.600 115.600 116.224 -0.624 18531
1633 1 7 . 1 1 16 16 THR HA H 16 4.730 4.730 4.813 -0.083 18531
1634 1 7 . 1 1 16 16 THR CA C 16 60.600 60.600 60.740 -0.141 18531
1635 1 7 . 1 1 16 16 THR CB C 16 69.500 69.500 70.198 -0.698 18531
1636 1 7 . 1 1 16 16 THR H H 16 8.820 8.820 8.666 0.154 18531
1637 1 7 . 1 1 17 17 THR N N 17 111.800 111.800 113.081 -1.281 18531
1638 1 7 . 1 1 17 17 THR HA H 17 5.790 5.790 5.449 0.341 18531
1639 1 7 . 1 1 17 17 THR CA C 17 59.800 59.800 60.336 -0.536 18531
1640 1 7 . 1 1 17 17 THR CB C 17 73.100 73.100 72.208 0.892 18531
1641 1 7 . 1 1 17 17 THR H H 17 8.140 8.140 8.231 -0.091 18531
1642 1 7 . 1 1 18 18 THR N N 18 115.100 115.100 113.951 1.149 18531
1643 1 7 . 1 1 18 18 THR HA H 18 4.640 4.640 4.530 0.110 18531
1644 1 7 . 1 1 18 18 THR CA C 18 61.900 61.900 61.284 0.616 18531
1645 1 7 . 1 1 18 18 THR CB C 18 70.000 70.000 70.439 -0.439 18531
1646 1 7 . 1 1 18 18 THR H H 18 8.930 8.930 8.735 0.195 18531
1647 1 7 . 1 1 19 19 LYS N N 19 124.300 124.300 125.340 -1.040 18531
1648 1 7 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.746 0.584 18531
1649 1 7 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.495 0.505 18531
1650 1 7 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.680 1.120 18531
1651 1 7 . 1 1 19 19 LYS H H 19 7.950 7.950 8.403 -0.453 18531
1652 1 7 . 1 1 20 20 ALA N N 20 124.600 124.600 127.087 -2.487 18531
1653 1 7 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.655 0.125 18531
1654 1 7 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.178 -0.278 18531
1655 1 7 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.794 2.006 18531
1656 1 7 . 1 1 20 20 ALA H H 20 9.110 9.110 8.414 0.696 18531
1657 1 7 . 1 1 21 21 VAL N N 21 115.300 115.300 115.772 -0.472 18531
1658 1 7 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.191 -0.081 18531
1659 1 7 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.349 0.952 18531
1660 1 7 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.207 0.993 18531
1661 1 7 . 1 1 21 21 VAL H H 21 8.480 8.480 8.389 0.091 18531
1662 1 7 . 1 1 22 22 ASP N N 22 115.200 115.200 118.253 -3.053 18531
1663 1 7 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.732 -0.022 18531
1664 1 7 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.855 -1.455 18531
1665 1 7 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.714 -0.514 18531
1666 1 7 . 1 1 22 22 ASP H H 22 7.310 7.310 7.672 -0.362 18531
1667 1 7 . 1 1 23 23 ALA N N 23 121.000 121.000 126.317 -5.317 18531
1668 1 7 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.461 -0.121 18531
1669 1 7 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.059 -0.159 18531
1670 1 7 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.584 -1.084 18531
1671 1 7 . 1 1 23 23 ALA H H 23 8.370 8.370 8.628 -0.258 18531
1672 1 7 . 1 1 24 24 GLU N N 24 118.900 118.900 118.276 0.624 18531
1673 1 7 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.942 -0.082 18531
1674 1 7 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.433 0.267 18531
1675 1 7 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.856 0.244 18531
1676 1 7 . 1 1 24 24 GLU H H 24 8.410 8.410 8.835 -0.425 18531
1677 1 7 . 1 1 25 25 THR N N 25 117.400 117.400 116.040 1.360 18531
1678 1 7 . 1 1 25 25 THR HA H 25 3.670 3.670 3.945 -0.275 18531
1679 1 7 . 1 1 25 25 THR CA C 25 66.800 66.800 65.971 0.829 18531
1680 1 7 . 1 1 25 25 THR CB C 25 68.000 68.000 68.305 -0.305 18531
1681 1 7 . 1 1 25 25 THR H H 25 8.380 8.380 7.385 0.995 18531
1682 1 7 . 1 1 26 26 ALA N N 26 125.100 125.100 122.319 2.781 18531
1683 1 7 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.829 -0.639 18531
1684 1 7 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.635 1.365 18531
1685 1 7 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.700 -0.400 18531
1686 1 7 . 1 1 26 26 ALA H H 26 7.220 7.220 7.856 -0.636 18531
1687 1 7 . 1 1 27 27 GLU N N 27 117.400 117.400 119.943 -2.543 18531
1688 1 7 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.605 -1.015 18531
1689 1 7 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.600 0.100 18531
1690 1 7 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.270 -0.070 18531
1691 1 7 . 1 1 27 27 GLU H H 27 8.370 8.370 7.726 0.644 18531
1692 1 7 . 1 1 28 28 LYS N N 28 116.300 116.300 118.636 -2.336 18531
1693 1 7 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.818 -0.148 18531
1694 1 7 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.656 -0.056 18531
1695 1 7 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.057 0.143 18531
1696 1 7 . 1 1 28 28 LYS H H 28 7.170 7.170 7.388 -0.218 18531
1697 1 7 . 1 1 29 29 ALA N N 29 122.000 122.000 121.240 0.760 18531
1698 1 7 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.048 0.042 18531
1699 1 7 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.681 0.019 18531
1700 1 7 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.020 -0.520 18531
1701 1 7 . 1 1 29 29 ALA H H 29 7.200 7.200 7.419 -0.219 18531
1702 1 7 . 1 1 30 30 PHE N N 30 119.600 119.600 117.105 2.495 18531
1703 1 7 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.275 0.505 18531
1704 1 7 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.926 -3.326 18531
1705 1 7 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.513 -1.113 18531
1706 1 7 . 1 1 30 30 PHE H H 30 8.610 8.610 7.781 0.829 18531
1707 1 7 . 1 1 31 31 LYS N N 31 122.800 122.800 118.547 4.253 18531
1708 1 7 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.173 -0.083 18531
1709 1 7 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.959 0.741 18531
1710 1 7 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.527 -0.927 18531
1711 1 7 . 1 1 31 31 LYS H H 31 9.030 9.030 8.002 1.028 18531
1712 1 7 . 1 1 32 32 GLN N N 32 119.600 119.600 119.904 -0.304 18531
1713 1 7 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.985 0.045 18531
1714 1 7 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.358 -0.658 18531
1715 1 7 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.486 -0.386 18531
1716 1 7 . 1 1 32 32 GLN H H 32 7.510 7.510 8.656 -1.146 18531
1717 1 7 . 1 1 33 33 TYR N N 33 120.400 120.400 119.253 1.147 18531
1718 1 7 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.653 -0.403 18531
1719 1 7 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.310 1.490 18531
1720 1 7 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.376 0.324 18531
1721 1 7 . 1 1 33 33 TYR H H 33 8.080 8.080 7.762 0.318 18531
1722 1 7 . 1 1 34 34 ALA N N 34 122.300 122.300 122.188 0.112 18531
1723 1 7 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.049 -0.269 18531
1724 1 7 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.228 0.872 18531
1725 1 7 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.745 -1.045 18531
1726 1 7 . 1 1 34 34 ALA H H 34 9.210 9.210 8.067 1.143 18531
1727 1 7 . 1 1 35 35 ASN N N 35 117.700 117.700 117.422 0.278 18531
1728 1 7 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.427 0.033 18531
1729 1 7 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.179 0.821 18531
1730 1 7 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.782 1.218 18531
1731 1 7 . 1 1 35 35 ASN H H 35 8.390 8.390 8.009 0.381 18531
1732 1 7 . 1 1 36 36 ASP N N 36 121.100 121.100 122.107 -1.007 18531
1733 1 7 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.368 -0.008 18531
1734 1 7 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.761 -0.061 18531
1735 1 7 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.226 -0.226 18531
1736 1 7 . 1 1 36 36 ASP H H 36 8.830 8.830 8.176 0.654 18531
1737 1 7 . 1 1 37 37 ASN N N 37 115.200 115.200 115.299 -0.099 18531
1738 1 7 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.853 -0.243 18531
1739 1 7 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.512 1.188 18531
1740 1 7 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.504 1.496 18531
1741 1 7 . 1 1 37 37 ASN H H 37 7.390 7.390 7.533 -0.143 18531
1742 1 7 . 1 1 38 38 GLY N N 38 108.200 108.200 107.898 0.302 18531
1743 1 7 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.196 0.204 18531
1744 1 7 . 1 1 38 38 GLY H H 38 7.800 7.800 8.137 -0.337 18531
1745 1 7 . 1 1 39 39 VAL N N 39 120.800 120.800 120.331 0.469 18531
1746 1 7 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.010 0.130 18531
1747 1 7 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.091 -0.391 18531
1748 1 7 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.108 1.192 18531
1749 1 7 . 1 1 39 39 VAL H H 39 8.120 8.120 7.941 0.179 18531
1750 1 7 . 1 1 40 40 ASP N N 40 128.000 128.000 128.595 -0.595 18531
1751 1 7 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.857 0.033 18531
1752 1 7 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.835 -0.035 18531
1753 1 7 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.687 -0.587 18531
1754 1 7 . 1 1 40 40 ASP H H 40 8.770 8.770 8.361 0.409 18531
1755 1 7 . 1 1 41 41 GLY N N 41 107.100 107.100 109.027 -1.927 18531
1756 1 7 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.838 0.562 18531
1757 1 7 . 1 1 41 41 GLY H H 41 7.910 7.910 7.990 -0.080 18531
1758 1 7 . 1 1 42 42 VAL N N 42 120.300 120.300 118.453 1.847 18531
1759 1 7 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.460 -0.080 18531
1760 1 7 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.482 2.618 18531
1761 1 7 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.401 0.999 18531
1762 1 7 . 1 1 42 42 VAL H H 42 8.250 8.250 7.574 0.676 18531
1763 1 7 . 1 1 43 43 TRP N N 43 130.700 130.700 128.180 2.520 18531
1764 1 7 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.228 0.132 18531
1765 1 7 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.230 1.370 18531
1766 1 7 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.346 -0.145 18531
1767 1 7 . 1 1 43 43 TRP H H 43 9.360 9.360 8.526 0.834 18531
1768 1 7 . 1 1 44 44 THR N N 44 114.500 114.500 118.499 -3.999 18531
1769 1 7 . 1 1 44 44 THR HA H 44 4.830 4.830 4.841 -0.011 18531
1770 1 7 . 1 1 44 44 THR CA C 44 60.300 60.300 61.351 -1.051 18531
1771 1 7 . 1 1 44 44 THR CB C 44 72.100 72.100 70.742 1.358 18531
1772 1 7 . 1 1 44 44 THR H H 44 9.400 9.400 8.430 0.970 18531
1773 1 7 . 1 1 45 45 TYR N N 45 120.100 120.100 124.628 -4.528 18531
1774 1 7 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.718 0.252 18531
1775 1 7 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.335 0.665 18531
1776 1 7 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.083 1.517 18531
1777 1 7 . 1 1 45 45 TYR H H 45 8.580 8.580 8.263 0.317 18531
1778 1 7 . 1 1 46 46 ASP N N 46 128.300 128.300 123.210 5.090 18531
1779 1 7 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.396 0.184 18531
1780 1 7 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.042 -0.142 18531
1781 1 7 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.906 -0.806 18531
1782 1 7 . 1 1 46 46 ASP H H 46 7.580 7.580 8.317 -0.737 18531
1783 1 7 . 1 1 47 47 ASP N N 47 124.800 124.800 123.873 0.927 18531
1784 1 7 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.391 -0.281 18531
1785 1 7 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.375 0.125 18531
1786 1 7 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.084 1.016 18531
1787 1 7 . 1 1 47 47 ASP H H 47 8.590 8.590 8.486 0.104 18531
1788 1 7 . 1 1 48 48 ALA N N 48 119.700 119.700 120.204 -0.504 18531
1789 1 7 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.085 0.005 18531
1790 1 7 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.036 0.964 18531
1791 1 7 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.040 -0.740 18531
1792 1 7 . 1 1 48 48 ALA H H 48 8.340 8.340 7.966 0.373 18531
1793 1 7 . 1 1 49 49 THR N N 49 103.200 103.200 109.475 -6.275 18531
1794 1 7 . 1 1 49 49 THR HA H 49 4.390 4.390 4.426 -0.036 18531
1795 1 7 . 1 1 49 49 THR CA C 49 60.200 60.200 60.678 -0.478 18531
1796 1 7 . 1 1 49 49 THR CB C 49 70.000 70.000 70.393 -0.393 18531
1797 1 7 . 1 1 49 49 THR H H 49 7.000 7.000 7.373 -0.373 18531
1798 1 7 . 1 1 50 50 LYS N N 50 123.100 123.100 119.331 3.769 18531
1799 1 7 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.874 -0.684 18531
1800 1 7 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.133 0.467 18531
1801 1 7 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.441 -4.841 18531
1802 1 7 . 1 1 50 50 LYS H H 50 7.860 7.860 8.413 -0.553 18531
1803 1 7 . 1 1 51 51 THR N N 51 111.200 111.200 117.394 -6.194 18531
1804 1 7 . 1 1 51 51 THR HA H 51 5.490 5.490 5.048 0.442 18531
1805 1 7 . 1 1 51 51 THR CA C 51 62.300 62.300 62.051 0.249 18531
1806 1 7 . 1 1 51 51 THR CB C 51 72.100 72.100 70.280 1.820 18531
1807 1 7 . 1 1 51 51 THR H H 51 7.390 7.390 7.989 -0.599 18531
1808 1 7 . 1 1 52 52 PHE N N 52 131.000 131.000 127.727 3.273 18531
1809 1 7 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.200 0.430 18531
1810 1 7 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.032 1.268 18531
1811 1 7 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.454 1.146 18531
1812 1 7 . 1 1 52 52 PHE H H 52 10.390 10.390 9.401 0.989 18531
1813 1 7 . 1 1 53 53 THR N N 53 117.400 117.400 117.907 -0.507 18531
1814 1 7 . 1 1 53 53 THR HA H 53 5.270 5.270 5.166 0.104 18531
1815 1 7 . 1 1 53 53 THR CA C 53 61.200 61.200 61.499 -0.299 18531
1816 1 7 . 1 1 53 53 THR CB C 53 71.000 71.000 72.042 -1.042 18531
1817 1 7 . 1 1 53 53 THR H H 53 9.180 9.180 8.415 0.765 18531
1818 1 7 . 1 1 54 54 VAL N N 54 123.000 123.000 124.280 -1.280 18531
1819 1 7 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.450 0.010 18531
1820 1 7 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.052 -1.952 18531
1821 1 7 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.317 -2.017 18531
1822 1 7 . 1 1 54 54 VAL H H 54 8.280 8.280 8.039 0.241 18531
1823 1 7 . 1 1 55 55 THR N N 55 123.900 123.900 123.555 0.345 18531
1824 1 7 . 1 1 55 55 THR HA H 55 4.700 4.700 4.889 -0.189 18531
1825 1 7 . 1 1 55 55 THR CA C 55 61.200 61.200 59.706 1.494 18531
1826 1 7 . 1 1 55 55 THR CB C 55 70.700 70.700 70.096 0.604 18531
1827 1 7 . 1 1 55 55 THR H H 55 8.320 8.320 8.043 0.277 18531
1828 1 8 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.099 -0.049 18531
1829 1 8 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.089 1.511 18531
1830 1 8 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.256 0.444 18531
1831 1 8 . 1 1 2 2 GLN H H 2 8.410 8.410 8.231 0.179 18531
1832 1 8 . 1 1 3 3 TYR N N 3 124.000 124.000 122.216 1.784 18531
1833 1 8 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.956 0.404 18531
1834 1 8 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.491 1.609 18531
1835 1 8 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.133 2.467 18531
1836 1 8 . 1 1 3 3 TYR H H 3 9.070 9.070 7.741 1.329 18531
1837 1 8 . 1 1 4 4 LYS N N 4 122.500 122.500 121.188 1.312 18531
1838 1 8 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.396 -0.176 18531
1839 1 8 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.426 0.574 18531
1840 1 8 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.592 -0.592 18531
1841 1 8 . 1 1 4 4 LYS H H 4 9.100 9.100 9.152 -0.052 18531
1842 1 8 . 1 1 5 5 LEU N N 5 126.400 126.400 126.409 -0.009 18531
1843 1 8 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.412 -0.442 18531
1844 1 8 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.029 -0.229 18531
1845 1 8 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.293 -3.693 18531
1846 1 8 . 1 1 5 5 LEU H H 5 8.620 8.620 8.936 -0.316 18531
1847 1 8 . 1 1 6 6 VAL N N 6 127.000 127.000 123.968 3.032 18531
1848 1 8 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.816 -0.656 18531
1849 1 8 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.835 1.465 18531
1850 1 8 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.553 -2.853 18531
1851 1 8 . 1 1 6 6 VAL H H 6 9.190 9.190 9.059 0.131 18531
1852 1 8 . 1 1 7 7 ILE N N 7 125.400 125.400 125.727 -0.327 18531
1853 1 8 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.347 -0.257 18531
1854 1 8 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.648 0.052 18531
1855 1 8 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.108 0.891 18531
1856 1 8 . 1 1 7 7 ILE H H 7 8.800 8.800 9.188 -0.388 18531
1857 1 8 . 1 1 8 8 ASN N N 8 128.900 128.900 125.001 3.899 18531
1858 1 8 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.938 0.342 18531
1859 1 8 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.891 -2.091 18531
1860 1 8 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.176 -0.076 18531
1861 1 8 . 1 1 8 8 ASN H H 8 8.990 8.990 8.084 0.906 18531
1862 1 8 . 1 1 9 9 GLY N N 9 110.200 110.200 107.888 2.312 18531
1863 1 8 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.048 0.652 18531
1864 1 8 . 1 1 9 9 GLY H H 9 7.920 7.920 7.914 0.006 18531
1865 1 8 . 1 1 10 10 LYS N N 10 120.700 120.700 118.729 1.971 18531
1866 1 8 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.366 -0.306 18531
1867 1 8 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.214 0.987 18531
1868 1 8 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.821 0.079 18531
1869 1 8 . 1 1 10 10 LYS H H 10 9.520 9.520 8.561 0.959 18531
1870 1 8 . 1 1 11 11 THR N N 11 108.900 108.900 112.566 -3.666 18531
1871 1 8 . 1 1 11 11 THR HA H 11 4.360 4.360 4.406 -0.046 18531
1872 1 8 . 1 1 11 11 THR CA C 11 62.000 62.000 61.197 0.803 18531
1873 1 8 . 1 1 11 11 THR CB C 11 69.800 69.800 69.279 0.521 18531
1874 1 8 . 1 1 11 11 THR H H 11 8.790 8.790 7.721 1.069 18531
1875 1 8 . 1 1 12 12 LEU N N 12 125.700 125.700 123.368 2.332 18531
1876 1 8 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.570 -0.130 18531
1877 1 8 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.548 -0.548 18531
1878 1 8 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.897 -1.597 18531
1879 1 8 . 1 1 12 12 LEU H H 12 7.580 7.580 7.637 -0.057 18531
1880 1 8 . 1 1 13 13 LYS N N 13 123.500 123.500 123.780 -0.280 18531
1881 1 8 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.380 -0.260 18531
1882 1 8 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.666 -1.766 18531
1883 1 8 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.921 0.879 18531
1884 1 8 . 1 1 13 13 LYS H H 13 8.140 8.140 8.478 -0.338 18531
1885 1 8 . 1 1 14 14 GLY N N 14 109.100 109.100 111.757 -2.657 18531
1886 1 8 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.620 -0.420 18531
1887 1 8 . 1 1 14 14 GLY H H 14 8.340 8.340 7.889 0.451 18531
1888 1 8 . 1 1 15 15 GLU N N 15 118.200 118.200 118.496 -0.296 18531
1889 1 8 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.406 0.194 18531
1890 1 8 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.224 -0.724 18531
1891 1 8 . 1 1 15 15 GLU CB C 15 33.800 33.800 34.067 -0.267 18531
1892 1 8 . 1 1 15 15 GLU H H 15 8.390 8.390 8.470 -0.080 18531
1893 1 8 . 1 1 16 16 THR N N 16 115.600 115.600 114.768 0.832 18531
1894 1 8 . 1 1 16 16 THR HA H 16 4.730 4.730 4.832 -0.102 18531
1895 1 8 . 1 1 16 16 THR CA C 16 60.600 60.600 60.196 0.404 18531
1896 1 8 . 1 1 16 16 THR CB C 16 69.500 69.500 70.183 -0.683 18531
1897 1 8 . 1 1 16 16 THR H H 16 8.820 8.820 8.903 -0.083 18531
1898 1 8 . 1 1 17 17 THR N N 17 111.800 111.800 115.009 -3.209 18531
1899 1 8 . 1 1 17 17 THR HA H 17 5.790 5.790 5.693 0.097 18531
1900 1 8 . 1 1 17 17 THR CA C 17 59.800 59.800 60.522 -0.722 18531
1901 1 8 . 1 1 17 17 THR CB C 17 73.100 73.100 71.903 1.198 18531
1902 1 8 . 1 1 17 17 THR H H 17 8.140 8.140 8.260 -0.120 18531
1903 1 8 . 1 1 18 18 THR N N 18 115.100 115.100 113.453 1.647 18531
1904 1 8 . 1 1 18 18 THR HA H 18 4.640 4.640 4.442 0.198 18531
1905 1 8 . 1 1 18 18 THR CA C 18 61.900 61.900 61.000 0.900 18531
1906 1 8 . 1 1 18 18 THR CB C 18 70.000 70.000 68.942 1.058 18531
1907 1 8 . 1 1 18 18 THR H H 18 8.930 8.930 8.216 0.714 18531
1908 1 8 . 1 1 19 19 LYS N N 19 124.300 124.300 120.824 3.476 18531
1909 1 8 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.903 0.427 18531
1910 1 8 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.619 -0.619 18531
1911 1 8 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.947 -0.147 18531
1912 1 8 . 1 1 19 19 LYS H H 19 7.950 7.950 8.216 -0.266 18531
1913 1 8 . 1 1 20 20 ALA N N 20 124.600 124.600 126.423 -1.823 18531
1914 1 8 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.580 0.200 18531
1915 1 8 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.420 -0.520 18531
1916 1 8 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.583 3.217 18531
1917 1 8 . 1 1 20 20 ALA H H 20 9.110 9.110 8.036 1.074 18531
1918 1 8 . 1 1 21 21 VAL N N 21 115.300 115.300 119.056 -3.756 18531
1919 1 8 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.121 -0.011 18531
1920 1 8 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.513 -0.213 18531
1921 1 8 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.138 0.062 18531
1922 1 8 . 1 1 21 21 VAL H H 21 8.480 8.480 8.282 0.198 18531
1923 1 8 . 1 1 22 22 ASP N N 22 115.200 115.200 117.237 -2.037 18531
1924 1 8 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.668 0.042 18531
1925 1 8 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.739 -1.339 18531
1926 1 8 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.731 -0.531 18531
1927 1 8 . 1 1 22 22 ASP H H 22 7.310 7.310 7.594 -0.284 18531
1928 1 8 . 1 1 23 23 ALA N N 23 121.000 121.000 126.913 -5.913 18531
1929 1 8 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.747 -0.407 18531
1930 1 8 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.285 -0.385 18531
1931 1 8 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.703 -1.204 18531
1932 1 8 . 1 1 23 23 ALA H H 23 8.370 8.370 8.659 -0.289 18531
1933 1 8 . 1 1 24 24 GLU N N 24 118.900 118.900 118.329 0.571 18531
1934 1 8 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.992 -0.132 18531
1935 1 8 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.607 0.093 18531
1936 1 8 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.910 0.190 18531
1937 1 8 . 1 1 24 24 GLU H H 24 8.410 8.410 8.978 -0.568 18531
1938 1 8 . 1 1 25 25 THR N N 25 117.400 117.400 115.965 1.435 18531
1939 1 8 . 1 1 25 25 THR HA H 25 3.670 3.670 4.013 -0.343 18531
1940 1 8 . 1 1 25 25 THR CA C 25 66.800 66.800 66.167 0.633 18531
1941 1 8 . 1 1 25 25 THR CB C 25 68.000 68.000 68.359 -0.358 18531
1942 1 8 . 1 1 25 25 THR H H 25 8.380 8.380 7.398 0.982 18531
1943 1 8 . 1 1 26 26 ALA N N 26 125.100 125.100 123.301 1.799 18531
1944 1 8 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.040 -0.850 18531
1945 1 8 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.267 0.733 18531
1946 1 8 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.348 -1.048 18531
1947 1 8 . 1 1 26 26 ALA H H 26 7.220 7.220 8.183 -0.963 18531
1948 1 8 . 1 1 27 27 GLU N N 27 117.400 117.400 119.769 -2.369 18531
1949 1 8 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.701 -1.111 18531
1950 1 8 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.813 -0.113 18531
1951 1 8 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.268 -0.068 18531
1952 1 8 . 1 1 27 27 GLU H H 27 8.370 8.370 8.047 0.323 18531
1953 1 8 . 1 1 28 28 LYS N N 28 116.300 116.300 118.996 -2.696 18531
1954 1 8 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.845 -0.175 18531
1955 1 8 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.498 0.102 18531
1956 1 8 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.258 -0.058 18531
1957 1 8 . 1 1 28 28 LYS H H 28 7.170 7.170 7.362 -0.192 18531
1958 1 8 . 1 1 29 29 ALA N N 29 122.000 122.000 121.503 0.497 18531
1959 1 8 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.008 0.082 18531
1960 1 8 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.821 -0.121 18531
1961 1 8 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.947 -0.447 18531
1962 1 8 . 1 1 29 29 ALA H H 29 7.200 7.200 7.429 -0.229 18531
1963 1 8 . 1 1 30 30 PHE N N 30 119.600 119.600 117.357 2.243 18531
1964 1 8 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.238 0.542 18531
1965 1 8 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.442 -3.842 18531
1966 1 8 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.583 -1.183 18531
1967 1 8 . 1 1 30 30 PHE H H 30 8.610 8.610 8.201 0.409 18531
1968 1 8 . 1 1 31 31 LYS N N 31 122.800 122.800 119.162 3.638 18531
1969 1 8 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.802 0.288 18531
1970 1 8 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.018 0.682 18531
1971 1 8 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.068 -0.468 18531
1972 1 8 . 1 1 31 31 LYS H H 31 9.030 9.030 8.144 0.886 18531
1973 1 8 . 1 1 32 32 GLN N N 32 119.600 119.600 120.105 -0.505 18531
1974 1 8 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.958 0.072 18531
1975 1 8 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.391 -0.691 18531
1976 1 8 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.474 -0.374 18531
1977 1 8 . 1 1 32 32 GLN H H 32 7.510 7.510 8.618 -1.108 18531
1978 1 8 . 1 1 33 33 TYR N N 33 120.400 120.400 119.708 0.692 18531
1979 1 8 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.479 -0.229 18531
1980 1 8 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.741 1.059 18531
1981 1 8 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.314 0.386 18531
1982 1 8 . 1 1 33 33 TYR H H 33 8.080 8.080 7.836 0.244 18531
1983 1 8 . 1 1 34 34 ALA N N 34 122.300 122.300 121.329 0.971 18531
1984 1 8 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.024 -0.244 18531
1985 1 8 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.146 0.954 18531
1986 1 8 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.358 -0.658 18531
1987 1 8 . 1 1 34 34 ALA H H 34 9.210 9.210 7.878 1.332 18531
1988 1 8 . 1 1 35 35 ASN N N 35 117.700 117.700 117.598 0.102 18531
1989 1 8 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.456 0.004 18531
1990 1 8 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.804 1.196 18531
1991 1 8 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.003 0.997 18531
1992 1 8 . 1 1 35 35 ASN H H 35 8.390 8.390 8.019 0.371 18531
1993 1 8 . 1 1 36 36 ASP N N 36 121.100 121.100 120.911 0.189 18531
1994 1 8 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.374 -0.014 18531
1995 1 8 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.792 -0.092 18531
1996 1 8 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.234 -0.234 18531
1997 1 8 . 1 1 36 36 ASP H H 36 8.830 8.830 8.163 0.667 18531
1998 1 8 . 1 1 37 37 ASN N N 37 115.200 115.200 114.846 0.354 18531
1999 1 8 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.815 -0.205 18531
2000 1 8 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.695 1.005 18531
2001 1 8 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.065 0.936 18531
2002 1 8 . 1 1 37 37 ASN H H 37 7.390 7.390 7.536 -0.146 18531
2003 1 8 . 1 1 38 38 GLY N N 38 108.200 108.200 108.731 -0.531 18531
2004 1 8 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.327 0.073 18531
2005 1 8 . 1 1 38 38 GLY H H 38 7.800 7.800 8.197 -0.397 18531
2006 1 8 . 1 1 39 39 VAL N N 39 120.800 120.800 119.454 1.346 18531
2007 1 8 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.026 0.114 18531
2008 1 8 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.994 -1.294 18531
2009 1 8 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.094 1.206 18531
2010 1 8 . 1 1 39 39 VAL H H 39 8.120 8.120 8.152 -0.032 18531
2011 1 8 . 1 1 40 40 ASP N N 40 128.000 128.000 127.962 0.038 18531
2012 1 8 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.906 -0.016 18531
2013 1 8 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.561 0.239 18531
2014 1 8 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.322 -1.222 18531
2015 1 8 . 1 1 40 40 ASP H H 40 8.770 8.770 8.389 0.381 18531
2016 1 8 . 1 1 41 41 GLY N N 41 107.100 107.100 107.646 -0.546 18531
2017 1 8 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.034 0.366 18531
2018 1 8 . 1 1 41 41 GLY H H 41 7.910 7.910 8.016 -0.106 18531
2019 1 8 . 1 1 42 42 VAL N N 42 120.300 120.300 122.342 -2.042 18531
2020 1 8 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.252 0.128 18531
2021 1 8 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.395 0.705 18531
2022 1 8 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.200 1.200 18531
2023 1 8 . 1 1 42 42 VAL H H 42 8.250 8.250 7.625 0.625 18531
2024 1 8 . 1 1 43 43 TRP N N 43 130.700 130.700 129.856 0.844 18531
2025 1 8 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.921 0.439 18531
2026 1 8 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.515 1.085 18531
2027 1 8 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.190 0.010 18531
2028 1 8 . 1 1 43 43 TRP H H 43 9.360 9.360 8.541 0.819 18531
2029 1 8 . 1 1 44 44 THR N N 44 114.500 114.500 117.458 -2.958 18531
2030 1 8 . 1 1 44 44 THR HA H 44 4.830 4.830 4.842 -0.012 18531
2031 1 8 . 1 1 44 44 THR CA C 44 60.300 60.300 60.961 -0.660 18531
2032 1 8 . 1 1 44 44 THR CB C 44 72.100 72.100 71.352 0.748 18531
2033 1 8 . 1 1 44 44 THR H H 44 9.400 9.400 8.414 0.986 18531
2034 1 8 . 1 1 45 45 TYR N N 45 120.100 120.100 122.408 -2.308 18531
2035 1 8 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.560 0.410 18531
2036 1 8 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.344 0.656 18531
2037 1 8 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.699 1.901 18531
2038 1 8 . 1 1 45 45 TYR H H 45 8.580 8.580 8.186 0.394 18531
2039 1 8 . 1 1 46 46 ASP N N 46 128.300 128.300 122.853 5.447 18531
2040 1 8 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.358 0.222 18531
2041 1 8 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.689 0.211 18531
2042 1 8 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.058 0.042 18531
2043 1 8 . 1 1 46 46 ASP H H 46 7.580 7.580 8.190 -0.610 18531
2044 1 8 . 1 1 47 47 ASP N N 47 124.800 124.800 126.991 -2.191 18531
2045 1 8 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.188 -0.078 18531
2046 1 8 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.509 -0.009 18531
2047 1 8 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.974 1.126 18531
2048 1 8 . 1 1 47 47 ASP H H 47 8.590 8.590 8.489 0.101 18531
2049 1 8 . 1 1 48 48 ALA N N 48 119.700 119.700 119.905 -0.205 18531
2050 1 8 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.076 0.014 18531
2051 1 8 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.002 0.998 18531
2052 1 8 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.849 -0.549 18531
2053 1 8 . 1 1 48 48 ALA H H 48 8.340 8.340 7.938 0.402 18531
2054 1 8 . 1 1 49 49 THR N N 49 103.200 103.200 110.747 -7.547 18531
2055 1 8 . 1 1 49 49 THR HA H 49 4.390 4.390 4.471 -0.081 18531
2056 1 8 . 1 1 49 49 THR CA C 49 60.200 60.200 60.145 0.055 18531
2057 1 8 . 1 1 49 49 THR CB C 49 70.000 70.000 70.734 -0.734 18531
2058 1 8 . 1 1 49 49 THR H H 49 7.000 7.000 7.675 -0.675 18531
2059 1 8 . 1 1 50 50 LYS N N 50 123.100 123.100 118.519 4.581 18531
2060 1 8 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.649 -0.459 18531
2061 1 8 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.062 0.538 18531
2062 1 8 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.558 -4.958 18531
2063 1 8 . 1 1 50 50 LYS H H 50 7.860 7.860 8.397 -0.537 18531
2064 1 8 . 1 1 51 51 THR N N 51 111.200 111.200 116.812 -5.612 18531
2065 1 8 . 1 1 51 51 THR HA H 51 5.490 5.490 5.161 0.329 18531
2066 1 8 . 1 1 51 51 THR CA C 51 62.300 62.300 61.003 1.297 18531
2067 1 8 . 1 1 51 51 THR CB C 51 72.100 72.100 69.453 2.647 18531
2068 1 8 . 1 1 51 51 THR H H 51 7.390 7.390 7.981 -0.591 18531
2069 1 8 . 1 1 52 52 PHE N N 52 131.000 131.000 129.365 1.635 18531
2070 1 8 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.395 0.235 18531
2071 1 8 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.021 1.279 18531
2072 1 8 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.307 1.293 18531
2073 1 8 . 1 1 52 52 PHE H H 52 10.390 10.390 9.419 0.971 18531
2074 1 8 . 1 1 53 53 THR N N 53 117.400 117.400 117.404 -0.004 18531
2075 1 8 . 1 1 53 53 THR HA H 53 5.270 5.270 5.016 0.254 18531
2076 1 8 . 1 1 53 53 THR CA C 53 61.200 61.200 61.710 -0.510 18531
2077 1 8 . 1 1 53 53 THR CB C 53 71.000 71.000 72.200 -1.200 18531
2078 1 8 . 1 1 53 53 THR H H 53 9.180 9.180 8.390 0.790 18531
2079 1 8 . 1 1 54 54 VAL N N 54 123.000 123.000 124.976 -1.976 18531
2080 1 8 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.405 0.055 18531
2081 1 8 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.557 -1.457 18531
2082 1 8 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.611 -2.312 18531
2083 1 8 . 1 1 54 54 VAL H H 54 8.280 8.280 8.275 0.005 18531
2084 1 8 . 1 1 55 55 THR N N 55 123.900 123.900 123.697 0.203 18531
2085 1 8 . 1 1 55 55 THR HA H 55 4.700 4.700 4.834 -0.134 18531
2086 1 8 . 1 1 55 55 THR CA C 55 61.200 61.200 60.728 0.472 18531
2087 1 8 . 1 1 55 55 THR CB C 55 70.700 70.700 69.857 0.843 18531
2088 1 8 . 1 1 55 55 THR H H 55 8.320 8.320 8.067 0.253 18531
2089 1 9 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.819 0.231 18531
2090 1 9 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.762 -0.162 18531
2091 1 9 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.774 -1.074 18531
2092 1 9 . 1 1 2 2 GLN H H 2 8.410 8.410 7.796 0.614 18531
2093 1 9 . 1 1 3 3 TYR N N 3 124.000 124.000 122.485 1.515 18531
2094 1 9 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.096 0.264 18531
2095 1 9 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.766 0.334 18531
2096 1 9 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.066 1.534 18531
2097 1 9 . 1 1 3 3 TYR H H 3 9.070 9.070 8.555 0.515 18531
2098 1 9 . 1 1 4 4 LYS N N 4 122.500 122.500 122.674 -0.174 18531
2099 1 9 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.029 0.191 18531
2100 1 9 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.436 0.564 18531
2101 1 9 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.444 -0.444 18531
2102 1 9 . 1 1 4 4 LYS H H 4 9.100 9.100 9.441 -0.341 18531
2103 1 9 . 1 1 5 5 LEU N N 5 126.400 126.400 127.945 -1.545 18531
2104 1 9 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.268 -0.298 18531
2105 1 9 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.474 -0.674 18531
2106 1 9 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.860 -2.260 18531
2107 1 9 . 1 1 5 5 LEU H H 5 8.620 8.620 8.186 0.434 18531
2108 1 9 . 1 1 6 6 VAL N N 6 127.000 127.000 126.865 0.135 18531
2109 1 9 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.885 -0.725 18531
2110 1 9 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.285 2.015 18531
2111 1 9 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.166 -1.466 18531
2112 1 9 . 1 1 6 6 VAL H H 6 9.190 9.190 9.254 -0.064 18531
2113 1 9 . 1 1 7 7 ILE N N 7 125.400 125.400 126.091 -0.691 18531
2114 1 9 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.286 -0.196 18531
2115 1 9 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.842 -0.142 18531
2116 1 9 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.547 0.453 18531
2117 1 9 . 1 1 7 7 ILE H H 7 8.800 8.800 8.572 0.228 18531
2118 1 9 . 1 1 8 8 ASN N N 8 128.900 128.900 125.780 3.120 18531
2119 1 9 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.979 0.301 18531
2120 1 9 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.577 -1.777 18531
2121 1 9 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.849 -0.749 18531
2122 1 9 . 1 1 8 8 ASN H H 8 8.990 8.990 8.804 0.186 18531
2123 1 9 . 1 1 9 9 GLY N N 9 110.200 110.200 109.064 1.136 18531
2124 1 9 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.904 -0.204 18531
2125 1 9 . 1 1 9 9 GLY H H 9 7.920 7.920 7.854 0.066 18531
2126 1 9 . 1 1 10 10 LYS N N 10 120.700 120.700 119.748 0.952 18531
2127 1 9 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.231 -0.171 18531
2128 1 9 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.447 0.753 18531
2129 1 9 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.195 -0.295 18531
2130 1 9 . 1 1 10 10 LYS H H 10 9.520 9.520 8.210 1.310 18531
2131 1 9 . 1 1 11 11 THR N N 11 108.900 108.900 113.452 -4.552 18531
2132 1 9 . 1 1 11 11 THR HA H 11 4.360 4.360 4.418 -0.058 18531
2133 1 9 . 1 1 11 11 THR CA C 11 62.000 62.000 62.177 -0.177 18531
2134 1 9 . 1 1 11 11 THR CB C 11 69.800 69.800 69.168 0.632 18531
2135 1 9 . 1 1 11 11 THR H H 11 8.790 8.790 8.206 0.584 18531
2136 1 9 . 1 1 12 12 LEU N N 12 125.700 125.700 123.446 2.254 18531
2137 1 9 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.529 -0.089 18531
2138 1 9 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.200 -0.200 18531
2139 1 9 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.438 -1.138 18531
2140 1 9 . 1 1 12 12 LEU H H 12 7.580 7.580 7.750 -0.170 18531
2141 1 9 . 1 1 13 13 LYS N N 13 123.500 123.500 123.609 -0.109 18531
2142 1 9 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.554 -0.434 18531
2143 1 9 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.702 -0.802 18531
2144 1 9 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.764 -0.964 18531
2145 1 9 . 1 1 13 13 LYS H H 13 8.140 8.140 8.335 -0.195 18531
2146 1 9 . 1 1 14 14 GLY N N 14 109.100 109.100 109.928 -0.828 18531
2147 1 9 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.972 -0.772 18531
2148 1 9 . 1 1 14 14 GLY H H 14 8.340 8.340 8.144 0.196 18531
2149 1 9 . 1 1 15 15 GLU N N 15 118.200 118.200 119.726 -1.526 18531
2150 1 9 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.297 0.303 18531
2151 1 9 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.293 -0.793 18531
2152 1 9 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.389 0.411 18531
2153 1 9 . 1 1 15 15 GLU H H 15 8.390 8.390 8.479 -0.089 18531
2154 1 9 . 1 1 16 16 THR N N 16 115.600 115.600 119.930 -4.330 18531
2155 1 9 . 1 1 16 16 THR HA H 16 4.730 4.730 4.575 0.155 18531
2156 1 9 . 1 1 16 16 THR CA C 16 60.600 60.600 60.826 -0.226 18531
2157 1 9 . 1 1 16 16 THR CB C 16 69.500 69.500 68.686 0.814 18531
2158 1 9 . 1 1 16 16 THR H H 16 8.820 8.820 8.920 -0.100 18531
2159 1 9 . 1 1 17 17 THR N N 17 111.800 111.800 120.025 -8.225 18531
2160 1 9 . 1 1 17 17 THR HA H 17 5.790 5.790 5.335 0.455 18531
2161 1 9 . 1 1 17 17 THR CA C 17 59.800 59.800 60.378 -0.578 18531
2162 1 9 . 1 1 17 17 THR CB C 17 73.100 73.100 70.570 2.530 18531
2163 1 9 . 1 1 17 17 THR H H 17 8.140 8.140 8.378 -0.238 18531
2164 1 9 . 1 1 18 18 THR N N 18 115.100 115.100 115.679 -0.579 18531
2165 1 9 . 1 1 18 18 THR HA H 18 4.640 4.640 4.649 -0.009 18531
2166 1 9 . 1 1 18 18 THR CA C 18 61.900 61.900 60.897 1.003 18531
2167 1 9 . 1 1 18 18 THR CB C 18 70.000 70.000 69.474 0.526 18531
2168 1 9 . 1 1 18 18 THR H H 18 8.930 8.930 8.469 0.461 18531
2169 1 9 . 1 1 19 19 LYS N N 19 124.300 124.300 119.555 4.745 18531
2170 1 9 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.959 0.371 18531
2171 1 9 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.327 -0.327 18531
2172 1 9 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.019 -1.219 18531
2173 1 9 . 1 1 19 19 LYS H H 19 7.950 7.950 8.254 -0.304 18531
2174 1 9 . 1 1 20 20 ALA N N 20 124.600 124.600 124.263 0.337 18531
2175 1 9 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.607 0.173 18531
2176 1 9 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.827 -0.927 18531
2177 1 9 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.029 2.771 18531
2178 1 9 . 1 1 20 20 ALA H H 20 9.110 9.110 8.097 1.013 18531
2179 1 9 . 1 1 21 21 VAL N N 21 115.300 115.300 116.522 -1.222 18531
2180 1 9 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.429 -0.319 18531
2181 1 9 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.460 -0.160 18531
2182 1 9 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.547 -0.347 18531
2183 1 9 . 1 1 21 21 VAL H H 21 8.480 8.480 8.534 -0.054 18531
2184 1 9 . 1 1 22 22 ASP N N 22 115.200 115.200 118.940 -3.740 18531
2185 1 9 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.764 -0.054 18531
2186 1 9 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.844 -1.444 18531
2187 1 9 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.565 -0.365 18531
2188 1 9 . 1 1 22 22 ASP H H 22 7.310 7.310 7.608 -0.298 18531
2189 1 9 . 1 1 23 23 ALA N N 23 121.000 121.000 127.311 -6.311 18531
2190 1 9 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.187 0.153 18531
2191 1 9 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.067 -0.167 18531
2192 1 9 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.830 -1.330 18531
2193 1 9 . 1 1 23 23 ALA H H 23 8.370 8.370 8.739 -0.369 18531
2194 1 9 . 1 1 24 24 GLU N N 24 118.900 118.900 117.829 1.071 18531
2195 1 9 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.931 -0.071 18531
2196 1 9 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.509 0.191 18531
2197 1 9 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.069 0.031 18531
2198 1 9 . 1 1 24 24 GLU H H 24 8.410 8.410 7.968 0.442 18531
2199 1 9 . 1 1 25 25 THR N N 25 117.400 117.400 114.786 2.614 18531
2200 1 9 . 1 1 25 25 THR HA H 25 3.670 3.670 3.997 -0.327 18531
2201 1 9 . 1 1 25 25 THR CA C 25 66.800 66.800 65.603 1.196 18531
2202 1 9 . 1 1 25 25 THR CB C 25 68.000 68.000 68.317 -0.317 18531
2203 1 9 . 1 1 25 25 THR H H 25 8.380 8.380 8.001 0.379 18531
2204 1 9 . 1 1 26 26 ALA N N 26 125.100 125.100 122.119 2.981 18531
2205 1 9 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.975 -0.785 18531
2206 1 9 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.314 1.686 18531
2207 1 9 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.676 -1.376 18531
2208 1 9 . 1 1 26 26 ALA H H 26 7.220 7.220 7.617 -0.397 18531
2209 1 9 . 1 1 27 27 GLU N N 27 117.400 117.400 120.045 -2.645 18531
2210 1 9 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.644 -1.054 18531
2211 1 9 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.722 -0.022 18531
2212 1 9 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.310 -0.110 18531
2213 1 9 . 1 1 27 27 GLU H H 27 8.370 8.370 7.726 0.644 18531
2214 1 9 . 1 1 28 28 LYS N N 28 116.300 116.300 117.277 -0.977 18531
2215 1 9 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.907 -0.237 18531
2216 1 9 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.468 1.132 18531
2217 1 9 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.726 0.474 18531
2218 1 9 . 1 1 28 28 LYS H H 28 7.170 7.170 7.510 -0.340 18531
2219 1 9 . 1 1 29 29 ALA N N 29 122.000 122.000 120.180 1.820 18531
2220 1 9 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.086 0.004 18531
2221 1 9 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.075 0.625 18531
2222 1 9 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.854 -1.354 18531
2223 1 9 . 1 1 29 29 ALA H H 29 7.200 7.200 7.278 -0.078 18531
2224 1 9 . 1 1 30 30 PHE N N 30 119.600 119.600 118.397 1.203 18531
2225 1 9 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.180 0.600 18531
2226 1 9 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.206 -3.606 18531
2227 1 9 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.334 -0.934 18531
2228 1 9 . 1 1 30 30 PHE H H 30 8.610 8.610 7.726 0.884 18531
2229 1 9 . 1 1 31 31 LYS N N 31 122.800 122.800 117.919 4.881 18531
2230 1 9 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.797 0.293 18531
2231 1 9 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.772 0.928 18531
2232 1 9 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.888 -0.288 18531
2233 1 9 . 1 1 31 31 LYS H H 31 9.030 9.030 7.954 1.076 18531
2234 1 9 . 1 1 32 32 GLN N N 32 119.600 119.600 119.132 0.468 18531
2235 1 9 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.170 -0.140 18531
2236 1 9 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.564 0.136 18531
2237 1 9 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.104 -1.004 18531
2238 1 9 . 1 1 32 32 GLN H H 32 7.510 7.510 7.441 0.069 18531
2239 1 9 . 1 1 33 33 TYR N N 33 120.400 120.400 121.572 -1.172 18531
2240 1 9 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.161 0.089 18531
2241 1 9 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.302 0.498 18531
2242 1 9 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.474 0.226 18531
2243 1 9 . 1 1 33 33 TYR H H 33 8.080 8.080 7.755 0.326 18531
2244 1 9 . 1 1 34 34 ALA N N 34 122.300 122.300 119.900 2.400 18531
2245 1 9 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.820 -0.040 18531
2246 1 9 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.341 0.759 18531
2247 1 9 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.307 -0.607 18531
2248 1 9 . 1 1 34 34 ALA H H 34 9.210 9.210 8.306 0.904 18531
2249 1 9 . 1 1 35 35 ASN N N 35 117.700 117.700 116.791 0.909 18531
2250 1 9 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.502 -0.042 18531
2251 1 9 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.507 1.493 18531
2252 1 9 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.114 0.886 18531
2253 1 9 . 1 1 35 35 ASN H H 35 8.390 8.390 8.158 0.232 18531
2254 1 9 . 1 1 36 36 ASP N N 36 121.100 121.100 120.258 0.842 18531
2255 1 9 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.562 -0.202 18531
2256 1 9 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.147 0.553 18531
2257 1 9 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.030 -1.030 18531
2258 1 9 . 1 1 36 36 ASP H H 36 8.830 8.830 8.015 0.815 18531
2259 1 9 . 1 1 37 37 ASN N N 37 115.200 115.200 116.484 -1.284 18531
2260 1 9 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.818 -0.208 18531
2261 1 9 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.645 1.055 18531
2262 1 9 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.539 1.461 18531
2263 1 9 . 1 1 37 37 ASN H H 37 7.390 7.390 7.667 -0.277 18531
2264 1 9 . 1 1 38 38 GLY N N 38 108.200 108.200 107.895 0.305 18531
2265 1 9 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.267 0.133 18531
2266 1 9 . 1 1 38 38 GLY H H 38 7.800 7.800 7.662 0.138 18531
2267 1 9 . 1 1 39 39 VAL N N 39 120.800 120.800 120.048 0.752 18531
2268 1 9 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.018 0.122 18531
2269 1 9 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.492 -0.792 18531
2270 1 9 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.021 0.279 18531
2271 1 9 . 1 1 39 39 VAL H H 39 8.120 8.120 7.833 0.287 18531
2272 1 9 . 1 1 40 40 ASP N N 40 128.000 128.000 127.548 0.452 18531
2273 1 9 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.843 0.047 18531
2274 1 9 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.313 -0.513 18531
2275 1 9 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.852 -0.752 18531
2276 1 9 . 1 1 40 40 ASP H H 40 8.770 8.770 8.524 0.246 18531
2277 1 9 . 1 1 41 41 GLY N N 41 107.100 107.100 109.674 -2.574 18531
2278 1 9 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.057 0.343 18531
2279 1 9 . 1 1 41 41 GLY H H 41 7.910 7.910 7.931 -0.021 18531
2280 1 9 . 1 1 42 42 VAL N N 42 120.300 120.300 121.928 -1.628 18531
2281 1 9 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.228 0.152 18531
2282 1 9 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.601 0.499 18531
2283 1 9 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.084 0.316 18531
2284 1 9 . 1 1 42 42 VAL H H 42 8.250 8.250 7.626 0.624 18531
2285 1 9 . 1 1 43 43 TRP N N 43 130.700 130.700 128.703 1.997 18531
2286 1 9 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.908 0.452 18531
2287 1 9 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.023 1.577 18531
2288 1 9 . 1 1 43 43 TRP CB C 43 30.200 30.200 28.057 2.143 18531
2289 1 9 . 1 1 43 43 TRP H H 43 9.360 9.360 8.745 0.615 18531
2290 1 9 . 1 1 44 44 THR N N 44 114.500 114.500 116.148 -1.648 18531
2291 1 9 . 1 1 44 44 THR HA H 44 4.830 4.830 4.629 0.201 18531
2292 1 9 . 1 1 44 44 THR CA C 44 60.300 60.300 61.624 -1.324 18531
2293 1 9 . 1 1 44 44 THR CB C 44 72.100 72.100 69.880 2.220 18531
2294 1 9 . 1 1 44 44 THR H H 44 9.400 9.400 7.792 1.608 18531
2295 1 9 . 1 1 45 45 TYR N N 45 120.100 120.100 125.574 -5.474 18531
2296 1 9 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.706 0.264 18531
2297 1 9 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.978 1.022 18531
2298 1 9 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.366 1.234 18531
2299 1 9 . 1 1 45 45 TYR H H 45 8.580 8.580 8.324 0.256 18531
2300 1 9 . 1 1 46 46 ASP N N 46 128.300 128.300 121.153 7.147 18531
2301 1 9 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.363 0.217 18531
2302 1 9 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.731 0.169 18531
2303 1 9 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.206 -1.106 18531
2304 1 9 . 1 1 46 46 ASP H H 46 7.580 7.580 8.144 -0.564 18531
2305 1 9 . 1 1 47 47 ASP N N 47 124.800 124.800 123.225 1.575 18531
2306 1 9 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.400 -0.290 18531
2307 1 9 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.279 0.221 18531
2308 1 9 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.154 0.945 18531
2309 1 9 . 1 1 47 47 ASP H H 47 8.590 8.590 8.437 0.153 18531
2310 1 9 . 1 1 48 48 ALA N N 48 119.700 119.700 120.738 -1.038 18531
2311 1 9 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.097 -0.007 18531
2312 1 9 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.084 0.916 18531
2313 1 9 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.758 -0.458 18531
2314 1 9 . 1 1 48 48 ALA H H 48 8.340 8.340 7.905 0.435 18531
2315 1 9 . 1 1 49 49 THR N N 49 103.200 103.200 111.800 -8.600 18531
2316 1 9 . 1 1 49 49 THR HA H 49 4.390 4.390 4.520 -0.130 18531
2317 1 9 . 1 1 49 49 THR CA C 49 60.200 60.200 60.584 -0.384 18531
2318 1 9 . 1 1 49 49 THR CB C 49 70.000 70.000 70.391 -0.391 18531
2319 1 9 . 1 1 49 49 THR H H 49 7.000 7.000 8.097 -1.097 18531
2320 1 9 . 1 1 50 50 LYS N N 50 123.100 123.100 118.780 4.320 18531
2321 1 9 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.920 -0.730 18531
2322 1 9 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.520 0.079 18531
2323 1 9 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.557 -4.957 18531
2324 1 9 . 1 1 50 50 LYS H H 50 7.860 7.860 8.411 -0.551 18531
2325 1 9 . 1 1 51 51 THR N N 51 111.200 111.200 117.671 -6.471 18531
2326 1 9 . 1 1 51 51 THR HA H 51 5.490 5.490 5.445 0.045 18531
2327 1 9 . 1 1 51 51 THR CA C 51 62.300 62.300 61.518 0.782 18531
2328 1 9 . 1 1 51 51 THR CB C 51 72.100 72.100 70.075 2.025 18531
2329 1 9 . 1 1 51 51 THR H H 51 7.390 7.390 8.099 -0.709 18531
2330 1 9 . 1 1 52 52 PHE N N 52 131.000 131.000 128.985 2.015 18531
2331 1 9 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.100 0.530 18531
2332 1 9 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.209 1.091 18531
2333 1 9 . 1 1 52 52 PHE CB C 52 42.600 42.600 39.784 2.816 18531
2334 1 9 . 1 1 52 52 PHE H H 52 10.390 10.390 9.561 0.829 18531
2335 1 9 . 1 1 53 53 THR N N 53 117.400 117.400 121.829 -4.429 18531
2336 1 9 . 1 1 53 53 THR HA H 53 5.270 5.270 4.773 0.497 18531
2337 1 9 . 1 1 53 53 THR CA C 53 61.200 61.200 61.779 -0.579 18531
2338 1 9 . 1 1 53 53 THR CB C 53 71.000 71.000 69.330 1.670 18531
2339 1 9 . 1 1 53 53 THR H H 53 9.180 9.180 8.432 0.748 18531
2340 1 9 . 1 1 54 54 VAL N N 54 123.000 123.000 129.055 -6.055 18531
2341 1 9 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.674 -0.214 18531
2342 1 9 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.941 -0.841 18531
2343 1 9 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.315 -1.014 18531
2344 1 9 . 1 1 54 54 VAL H H 54 8.280 8.280 8.396 -0.116 18531
2345 1 9 . 1 1 55 55 THR N N 55 123.900 123.900 125.921 -2.021 18531
2346 1 9 . 1 1 55 55 THR HA H 55 4.700 4.700 4.718 -0.018 18531
2347 1 9 . 1 1 55 55 THR CA C 55 61.200 61.200 61.450 -0.250 18531
2348 1 9 . 1 1 55 55 THR CB C 55 70.700 70.700 70.231 0.469 18531
2349 1 9 . 1 1 55 55 THR H H 55 8.320 8.320 8.489 -0.169 18531
2350 1 10 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.937 0.113 18531
2351 1 10 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.664 0.936 18531
2352 1 10 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.853 1.847 18531
2353 1 10 . 1 1 2 2 GLN H H 2 8.410 8.410 8.207 0.203 18531
2354 1 10 . 1 1 3 3 TYR N N 3 124.000 124.000 124.644 -0.644 18531
2355 1 10 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.982 0.378 18531
2356 1 10 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.815 0.285 18531
2357 1 10 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.212 2.388 18531
2358 1 10 . 1 1 3 3 TYR H H 3 9.070 9.070 8.059 1.011 18531
2359 1 10 . 1 1 4 4 LYS N N 4 122.500 122.500 119.352 3.148 18531
2360 1 10 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.342 -0.122 18531
2361 1 10 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.063 0.937 18531
2362 1 10 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.740 -0.740 18531
2363 1 10 . 1 1 4 4 LYS H H 4 9.100 9.100 8.435 0.665 18531
2364 1 10 . 1 1 5 5 LEU N N 5 126.400 126.400 125.855 0.545 18531
2365 1 10 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.089 -0.119 18531
2366 1 10 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.089 -1.289 18531
2367 1 10 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.575 -1.975 18531
2368 1 10 . 1 1 5 5 LEU H H 5 8.620 8.620 8.363 0.257 18531
2369 1 10 . 1 1 6 6 VAL N N 6 127.000 127.000 127.514 -0.514 18531
2370 1 10 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.723 -0.563 18531
2371 1 10 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.825 1.475 18531
2372 1 10 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.766 -1.065 18531
2373 1 10 . 1 1 6 6 VAL H H 6 9.190 9.190 9.282 -0.092 18531
2374 1 10 . 1 1 7 7 ILE N N 7 125.400 125.400 126.257 -0.857 18531
2375 1 10 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.361 -0.271 18531
2376 1 10 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.687 0.014 18531
2377 1 10 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.188 0.812 18531
2378 1 10 . 1 1 7 7 ILE H H 7 8.800 8.800 9.061 -0.261 18531
2379 1 10 . 1 1 8 8 ASN N N 8 128.900 128.900 126.507 2.393 18531
2380 1 10 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.900 0.380 18531
2381 1 10 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.762 -1.962 18531
2382 1 10 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.087 0.014 18531
2383 1 10 . 1 1 8 8 ASN H H 8 8.990 8.990 8.400 0.590 18531
2384 1 10 . 1 1 9 9 GLY N N 9 110.200 110.200 108.852 1.348 18531
2385 1 10 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.495 0.205 18531
2386 1 10 . 1 1 9 9 GLY H H 9 7.920 7.920 7.549 0.371 18531
2387 1 10 . 1 1 10 10 LYS N N 10 120.700 120.700 118.488 2.212 18531
2388 1 10 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.229 -0.169 18531
2389 1 10 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.773 0.427 18531
2390 1 10 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.821 0.079 18531
2391 1 10 . 1 1 10 10 LYS H H 10 9.520 9.520 8.372 1.148 18531
2392 1 10 . 1 1 11 11 THR N N 11 108.900 108.900 109.397 -0.497 18531
2393 1 10 . 1 1 11 11 THR HA H 11 4.360 4.360 4.345 0.015 18531
2394 1 10 . 1 1 11 11 THR CA C 11 62.000 62.000 62.482 -0.482 18531
2395 1 10 . 1 1 11 11 THR CB C 11 69.800 69.800 69.409 0.391 18531
2396 1 10 . 1 1 11 11 THR H H 11 8.790 8.790 7.543 1.247 18531
2397 1 10 . 1 1 12 12 LEU N N 12 125.700 125.700 124.774 0.926 18531
2398 1 10 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.362 0.078 18531
2399 1 10 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.210 -0.210 18531
2400 1 10 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.513 0.787 18531
2401 1 10 . 1 1 12 12 LEU H H 12 7.580 7.580 7.876 -0.296 18531
2402 1 10 . 1 1 13 13 LYS N N 13 123.500 123.500 123.563 -0.063 18531
2403 1 10 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.431 -0.310 18531
2404 1 10 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.819 -0.919 18531
2405 1 10 . 1 1 13 13 LYS CB C 13 34.800 34.800 36.032 -1.232 18531
2406 1 10 . 1 1 13 13 LYS H H 13 8.140 8.140 8.260 -0.120 18531
2407 1 10 . 1 1 14 14 GLY N N 14 109.100 109.100 110.054 -0.954 18531
2408 1 10 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.973 -0.773 18531
2409 1 10 . 1 1 14 14 GLY H H 14 8.340 8.340 8.088 0.252 18531
2410 1 10 . 1 1 15 15 GLU N N 15 118.200 118.200 119.137 -0.937 18531
2411 1 10 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.580 0.020 18531
2412 1 10 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.629 -0.129 18531
2413 1 10 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.797 0.002 18531
2414 1 10 . 1 1 15 15 GLU H H 15 8.390 8.390 8.402 -0.012 18531
2415 1 10 . 1 1 16 16 THR N N 16 115.600 115.600 113.383 2.217 18531
2416 1 10 . 1 1 16 16 THR HA H 16 4.730 4.730 4.628 0.102 18531
2417 1 10 . 1 1 16 16 THR CA C 16 60.600 60.600 60.667 -0.067 18531
2418 1 10 . 1 1 16 16 THR CB C 16 69.500 69.500 70.579 -1.079 18531
2419 1 10 . 1 1 16 16 THR H H 16 8.820 8.820 8.309 0.511 18531
2420 1 10 . 1 1 17 17 THR N N 17 111.800 111.800 113.961 -2.161 18531
2421 1 10 . 1 1 17 17 THR HA H 17 5.790 5.790 5.714 0.076 18531
2422 1 10 . 1 1 17 17 THR CA C 17 59.800 59.800 60.381 -0.581 18531
2423 1 10 . 1 1 17 17 THR CB C 17 73.100 73.100 72.286 0.814 18531
2424 1 10 . 1 1 17 17 THR H H 17 8.140 8.140 8.209 -0.069 18531
2425 1 10 . 1 1 18 18 THR N N 18 115.100 115.100 113.975 1.125 18531
2426 1 10 . 1 1 18 18 THR HA H 18 4.640 4.640 4.547 0.093 18531
2427 1 10 . 1 1 18 18 THR CA C 18 61.900 61.900 61.232 0.668 18531
2428 1 10 . 1 1 18 18 THR CB C 18 70.000 70.000 69.179 0.821 18531
2429 1 10 . 1 1 18 18 THR H H 18 8.930 8.930 8.301 0.629 18531
2430 1 10 . 1 1 19 19 LYS N N 19 124.300 124.300 120.722 3.578 18531
2431 1 10 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.019 0.311 18531
2432 1 10 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.976 -0.976 18531
2433 1 10 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.907 -0.107 18531
2434 1 10 . 1 1 19 19 LYS H H 19 7.950 7.950 8.330 -0.380 18531
2435 1 10 . 1 1 20 20 ALA N N 20 124.600 124.600 126.471 -1.871 18531
2436 1 10 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.738 0.042 18531
2437 1 10 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.887 0.013 18531
2438 1 10 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.579 2.221 18531
2439 1 10 . 1 1 20 20 ALA H H 20 9.110 9.110 8.412 0.698 18531
2440 1 10 . 1 1 21 21 VAL N N 21 115.300 115.300 113.998 1.302 18531
2441 1 10 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.116 -0.006 18531
2442 1 10 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.658 -0.358 18531
2443 1 10 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.487 0.713 18531
2444 1 10 . 1 1 21 21 VAL H H 21 8.480 8.480 8.534 -0.054 18531
2445 1 10 . 1 1 22 22 ASP N N 22 115.200 115.200 114.750 0.450 18531
2446 1 10 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.701 0.009 18531
2447 1 10 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.929 -0.529 18531
2448 1 10 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.571 -0.371 18531
2449 1 10 . 1 1 22 22 ASP H H 22 7.310 7.310 7.501 -0.191 18531
2450 1 10 . 1 1 23 23 ALA N N 23 121.000 121.000 122.672 -1.672 18531
2451 1 10 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.483 -0.143 18531
2452 1 10 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.151 -0.251 18531
2453 1 10 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.527 -1.027 18531
2454 1 10 . 1 1 23 23 ALA H H 23 8.370 8.370 8.734 -0.364 18531
2455 1 10 . 1 1 24 24 GLU N N 24 118.900 118.900 119.148 -0.248 18531
2456 1 10 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.906 -0.046 18531
2457 1 10 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.372 0.328 18531
2458 1 10 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.907 0.193 18531
2459 1 10 . 1 1 24 24 GLU H H 24 8.410 8.410 8.039 0.371 18531
2460 1 10 . 1 1 25 25 THR N N 25 117.400 117.400 115.842 1.558 18531
2461 1 10 . 1 1 25 25 THR HA H 25 3.670 3.670 3.883 -0.213 18531
2462 1 10 . 1 1 25 25 THR CA C 25 66.800 66.800 66.171 0.629 18531
2463 1 10 . 1 1 25 25 THR CB C 25 68.000 68.000 68.492 -0.492 18531
2464 1 10 . 1 1 25 25 THR H H 25 8.380 8.380 8.790 -0.410 18531
2465 1 10 . 1 1 26 26 ALA N N 26 125.100 125.100 123.199 1.901 18531
2466 1 10 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.898 -0.708 18531
2467 1 10 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.348 0.652 18531
2468 1 10 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.967 -0.667 18531
2469 1 10 . 1 1 26 26 ALA H H 26 7.220 7.220 7.909 -0.689 18531
2470 1 10 . 1 1 27 27 GLU N N 27 117.400 117.400 119.574 -2.174 18531
2471 1 10 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.725 -1.135 18531
2472 1 10 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.461 0.239 18531
2473 1 10 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.151 0.049 18531
2474 1 10 . 1 1 27 27 GLU H H 27 8.370 8.370 8.074 0.296 18531
2475 1 10 . 1 1 28 28 LYS N N 28 116.300 116.300 118.473 -2.173 18531
2476 1 10 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.877 -0.207 18531
2477 1 10 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.094 0.506 18531
2478 1 10 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.201 -0.001 18531
2479 1 10 . 1 1 28 28 LYS H H 28 7.170 7.170 7.848 -0.678 18531
2480 1 10 . 1 1 29 29 ALA N N 29 122.000 122.000 118.807 3.193 18531
2481 1 10 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.234 -0.144 18531
2482 1 10 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.096 0.604 18531
2483 1 10 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.640 -1.140 18531
2484 1 10 . 1 1 29 29 ALA H H 29 7.200 7.200 7.096 0.104 18531
2485 1 10 . 1 1 30 30 PHE N N 30 119.600 119.600 118.187 1.413 18531
2486 1 10 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.341 0.439 18531
2487 1 10 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.561 -2.961 18531
2488 1 10 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.755 -1.355 18531
2489 1 10 . 1 1 30 30 PHE H H 30 8.610 8.610 7.879 0.731 18531
2490 1 10 . 1 1 31 31 LYS N N 31 122.800 122.800 117.712 5.088 18531
2491 1 10 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.025 0.065 18531
2492 1 10 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.126 1.574 18531
2493 1 10 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.915 -0.315 18531
2494 1 10 . 1 1 31 31 LYS H H 31 9.030 9.030 7.858 1.172 18531
2495 1 10 . 1 1 32 32 GLN N N 32 119.600 119.600 119.460 0.140 18531
2496 1 10 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.193 -0.163 18531
2497 1 10 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.547 0.153 18531
2498 1 10 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.700 -0.600 18531
2499 1 10 . 1 1 32 32 GLN H H 32 7.510 7.510 7.454 0.056 18531
2500 1 10 . 1 1 33 33 TYR N N 33 120.400 120.400 121.800 -1.400 18531
2501 1 10 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.042 0.208 18531
2502 1 10 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.782 0.018 18531
2503 1 10 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.354 0.346 18531
2504 1 10 . 1 1 33 33 TYR H H 33 8.080 8.080 7.716 0.364 18531
2505 1 10 . 1 1 34 34 ALA N N 34 122.300 122.300 119.398 2.902 18531
2506 1 10 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.899 -0.119 18531
2507 1 10 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.517 0.583 18531
2508 1 10 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.285 -0.585 18531
2509 1 10 . 1 1 34 34 ALA H H 34 9.210 9.210 8.177 1.033 18531
2510 1 10 . 1 1 35 35 ASN N N 35 117.700 117.700 117.591 0.109 18531
2511 1 10 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.489 -0.029 18531
2512 1 10 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.979 1.021 18531
2513 1 10 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.220 0.780 18531
2514 1 10 . 1 1 35 35 ASN H H 35 8.390 8.390 8.129 0.261 18531
2515 1 10 . 1 1 36 36 ASP N N 36 121.100 121.100 119.606 1.494 18531
2516 1 10 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.491 -0.131 18531
2517 1 10 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.631 0.069 18531
2518 1 10 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.926 -0.926 18531
2519 1 10 . 1 1 36 36 ASP H H 36 8.830 8.830 8.721 0.109 18531
2520 1 10 . 1 1 37 37 ASN N N 37 115.200 115.200 114.961 0.239 18531
2521 1 10 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.777 -0.167 18531
2522 1 10 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.806 0.894 18531
2523 1 10 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.941 1.059 18531
2524 1 10 . 1 1 37 37 ASN H H 37 7.390 7.390 7.632 -0.242 18531
2525 1 10 . 1 1 38 38 GLY N N 38 108.200 108.200 108.853 -0.653 18531
2526 1 10 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.216 0.184 18531
2527 1 10 . 1 1 38 38 GLY H H 38 7.800 7.800 8.234 -0.434 18531
2528 1 10 . 1 1 39 39 VAL N N 39 120.800 120.800 119.788 1.012 18531
2529 1 10 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.335 -0.195 18531
2530 1 10 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.674 0.026 18531
2531 1 10 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.810 0.489 18531
2532 1 10 . 1 1 39 39 VAL H H 39 8.120 8.120 8.064 0.056 18531
2533 1 10 . 1 1 40 40 ASP N N 40 128.000 128.000 127.439 0.561 18531
2534 1 10 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.806 0.084 18531
2535 1 10 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.441 0.359 18531
2536 1 10 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.415 -1.315 18531
2537 1 10 . 1 1 40 40 ASP H H 40 8.770 8.770 8.860 -0.090 18531
2538 1 10 . 1 1 41 41 GLY N N 41 107.100 107.100 107.377 -0.277 18531
2539 1 10 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.850 0.550 18531
2540 1 10 . 1 1 41 41 GLY H H 41 7.910 7.910 7.995 -0.085 18531
2541 1 10 . 1 1 42 42 VAL N N 42 120.300 120.300 122.408 -2.108 18531
2542 1 10 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.257 0.123 18531
2543 1 10 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.623 0.477 18531
2544 1 10 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.410 0.990 18531
2545 1 10 . 1 1 42 42 VAL H H 42 8.250 8.250 7.776 0.474 18531
2546 1 10 . 1 1 43 43 TRP N N 43 130.700 130.700 129.463 1.237 18531
2547 1 10 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.772 0.588 18531
2548 1 10 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.736 0.864 18531
2549 1 10 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.169 0.031 18531
2550 1 10 . 1 1 43 43 TRP H H 43 9.360 9.360 8.668 0.692 18531
2551 1 10 . 1 1 44 44 THR N N 44 114.500 114.500 116.059 -1.559 18531
2552 1 10 . 1 1 44 44 THR HA H 44 4.830 4.830 4.795 0.035 18531
2553 1 10 . 1 1 44 44 THR CA C 44 60.300 60.300 61.120 -0.820 18531
2554 1 10 . 1 1 44 44 THR CB C 44 72.100 72.100 70.846 1.254 18531
2555 1 10 . 1 1 44 44 THR H H 44 9.400 9.400 8.827 0.573 18531
2556 1 10 . 1 1 45 45 TYR N N 45 120.100 120.100 119.073 1.027 18531
2557 1 10 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.249 -0.279 18531
2558 1 10 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.569 -0.569 18531
2559 1 10 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.945 0.655 18531
2560 1 10 . 1 1 45 45 TYR H H 45 8.580 8.580 8.082 0.498 18531
2561 1 10 . 1 1 46 46 ASP N N 46 128.300 128.300 121.817 6.483 18531
2562 1 10 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.695 -0.115 18531
2563 1 10 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.157 -0.257 18531
2564 1 10 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.620 -0.520 18531
2565 1 10 . 1 1 46 46 ASP H H 46 7.580 7.580 8.768 -1.188 18531
2566 1 10 . 1 1 47 47 ASP N N 47 124.800 124.800 126.177 -1.377 18531
2567 1 10 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.539 -0.429 18531
2568 1 10 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.608 -0.108 18531
2569 1 10 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.220 0.880 18531
2570 1 10 . 1 1 47 47 ASP H H 47 8.590 8.590 8.707 -0.117 18531
2571 1 10 . 1 1 48 48 ALA N N 48 119.700 119.700 121.267 -1.567 18531
2572 1 10 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.129 -0.039 18531
2573 1 10 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.959 1.041 18531
2574 1 10 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.075 -0.775 18531
2575 1 10 . 1 1 48 48 ALA H H 48 8.340 8.340 8.132 0.208 18531
2576 1 10 . 1 1 49 49 THR N N 49 103.200 103.200 110.973 -7.773 18531
2577 1 10 . 1 1 49 49 THR HA H 49 4.390 4.390 4.516 -0.126 18531
2578 1 10 . 1 1 49 49 THR CA C 49 60.200 60.200 60.830 -0.630 18531
2579 1 10 . 1 1 49 49 THR CB C 49 70.000 70.000 70.233 -0.233 18531
2580 1 10 . 1 1 49 49 THR H H 49 7.000 7.000 7.556 -0.556 18531
2581 1 10 . 1 1 50 50 LYS N N 50 123.100 123.100 119.185 3.915 18531
2582 1 10 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.746 -0.556 18531
2583 1 10 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.775 0.825 18531
2584 1 10 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.333 -4.733 18531
2585 1 10 . 1 1 50 50 LYS H H 50 7.860 7.860 8.320 -0.460 18531
2586 1 10 . 1 1 51 51 THR N N 51 111.200 111.200 116.707 -5.507 18531
2587 1 10 . 1 1 51 51 THR HA H 51 5.490 5.490 4.599 0.891 18531
2588 1 10 . 1 1 51 51 THR CA C 51 62.300 62.300 61.627 0.673 18531
2589 1 10 . 1 1 51 51 THR CB C 51 72.100 72.100 70.155 1.945 18531
2590 1 10 . 1 1 51 51 THR H H 51 7.390 7.390 7.901 -0.511 18531
2591 1 10 . 1 1 52 52 PHE N N 52 131.000 131.000 126.215 4.785 18531
2592 1 10 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.369 0.261 18531
2593 1 10 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.697 2.603 18531
2594 1 10 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.827 0.773 18531
2595 1 10 . 1 1 52 52 PHE H H 52 10.390 10.390 8.680 1.710 18531
2596 1 10 . 1 1 53 53 THR N N 53 117.400 117.400 117.464 -0.064 18531
2597 1 10 . 1 1 53 53 THR HA H 53 5.270 5.270 5.245 0.025 18531
2598 1 10 . 1 1 53 53 THR CA C 53 61.200 61.200 61.731 -0.531 18531
2599 1 10 . 1 1 53 53 THR CB C 53 71.000 71.000 71.803 -0.803 18531
2600 1 10 . 1 1 53 53 THR H H 53 9.180 9.180 8.796 0.384 18531
2601 1 10 . 1 1 54 54 VAL N N 54 123.000 123.000 123.998 -0.998 18531
2602 1 10 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.427 0.033 18531
2603 1 10 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.394 -1.294 18531
2604 1 10 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.562 -1.262 18531
2605 1 10 . 1 1 54 54 VAL H H 54 8.280 8.280 8.286 -0.006 18531
2606 1 10 . 1 1 55 55 THR N N 55 123.900 123.900 124.998 -1.098 18531
2607 1 10 . 1 1 55 55 THR HA H 55 4.700 4.700 4.668 0.032 18531
2608 1 10 . 1 1 55 55 THR CA C 55 61.200 61.200 60.966 0.234 18531
2609 1 10 . 1 1 55 55 THR CB C 55 70.700 70.700 70.713 -0.013 18531
2610 1 10 . 1 1 55 55 THR H H 55 8.320 8.320 8.386 -0.066 18531
2611 1 11 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.914 0.136 18531
2612 1 11 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.903 1.698 18531
2613 1 11 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.238 0.462 18531
2614 1 11 . 1 1 2 2 GLN H H 2 8.410 8.410 8.205 0.205 18531
2615 1 11 . 1 1 3 3 TYR N N 3 124.000 124.000 121.566 2.434 18531
2616 1 11 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.944 0.416 18531
2617 1 11 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.349 1.751 18531
2618 1 11 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.419 3.182 18531
2619 1 11 . 1 1 3 3 TYR H H 3 9.070 9.070 8.798 0.272 18531
2620 1 11 . 1 1 4 4 LYS N N 4 122.500 122.500 122.551 -0.051 18531
2621 1 11 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.374 -0.154 18531
2622 1 11 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.226 0.774 18531
2623 1 11 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.883 0.117 18531
2624 1 11 . 1 1 4 4 LYS H H 4 9.100 9.100 8.502 0.598 18531
2625 1 11 . 1 1 5 5 LEU N N 5 126.400 126.400 125.081 1.319 18531
2626 1 11 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.182 -0.212 18531
2627 1 11 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.050 -0.250 18531
2628 1 11 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.184 -3.583 18531
2629 1 11 . 1 1 5 5 LEU H H 5 8.620 8.620 8.856 -0.236 18531
2630 1 11 . 1 1 6 6 VAL N N 6 127.000 127.000 123.522 3.478 18531
2631 1 11 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.734 -0.574 18531
2632 1 11 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.752 1.548 18531
2633 1 11 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.267 -2.567 18531
2634 1 11 . 1 1 6 6 VAL H H 6 9.190 9.190 8.916 0.274 18531
2635 1 11 . 1 1 7 7 ILE N N 7 125.400 125.400 125.937 -0.537 18531
2636 1 11 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.554 -0.464 18531
2637 1 11 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.501 0.200 18531
2638 1 11 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.517 0.482 18531
2639 1 11 . 1 1 7 7 ILE H H 7 8.800 8.800 9.167 -0.367 18531
2640 1 11 . 1 1 8 8 ASN N N 8 128.900 128.900 125.972 2.928 18531
2641 1 11 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.986 0.294 18531
2642 1 11 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.598 -1.798 18531
2643 1 11 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.891 -0.791 18531
2644 1 11 . 1 1 8 8 ASN H H 8 8.990 8.990 8.705 0.285 18531
2645 1 11 . 1 1 9 9 GLY N N 9 110.200 110.200 108.587 1.613 18531
2646 1 11 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.806 -0.106 18531
2647 1 11 . 1 1 9 9 GLY H H 9 7.920 7.920 7.780 0.140 18531
2648 1 11 . 1 1 10 10 LYS N N 10 120.700 120.700 118.987 1.713 18531
2649 1 11 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.353 -0.293 18531
2650 1 11 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.242 0.958 18531
2651 1 11 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.954 -0.054 18531
2652 1 11 . 1 1 10 10 LYS H H 10 9.520 9.520 8.361 1.159 18531
2653 1 11 . 1 1 11 11 THR N N 11 108.900 108.900 112.872 -3.972 18531
2654 1 11 . 1 1 11 11 THR HA H 11 4.360 4.360 4.429 -0.069 18531
2655 1 11 . 1 1 11 11 THR CA C 11 62.000 62.000 61.647 0.353 18531
2656 1 11 . 1 1 11 11 THR CB C 11 69.800 69.800 69.289 0.511 18531
2657 1 11 . 1 1 11 11 THR H H 11 8.790 8.790 7.689 1.101 18531
2658 1 11 . 1 1 12 12 LEU N N 12 125.700 125.700 124.472 1.228 18531
2659 1 11 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.556 -0.116 18531
2660 1 11 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.967 0.033 18531
2661 1 11 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.068 -0.768 18531
2662 1 11 . 1 1 12 12 LEU H H 12 7.580 7.580 7.602 -0.022 18531
2663 1 11 . 1 1 13 13 LYS N N 13 123.500 123.500 123.842 -0.342 18531
2664 1 11 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.632 -0.512 18531
2665 1 11 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.538 -0.638 18531
2666 1 11 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.598 -0.798 18531
2667 1 11 . 1 1 13 13 LYS H H 13 8.140 8.140 8.349 -0.209 18531
2668 1 11 . 1 1 14 14 GLY N N 14 109.100 109.100 109.895 -0.795 18531
2669 1 11 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.561 -0.361 18531
2670 1 11 . 1 1 14 14 GLY H H 14 8.340 8.340 8.083 0.257 18531
2671 1 11 . 1 1 15 15 GLU N N 15 118.200 118.200 118.093 0.107 18531
2672 1 11 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.456 0.144 18531
2673 1 11 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.001 -0.501 18531
2674 1 11 . 1 1 15 15 GLU CB C 15 33.800 33.800 34.055 -0.255 18531
2675 1 11 . 1 1 15 15 GLU H H 15 8.390 8.390 8.459 -0.069 18531
2676 1 11 . 1 1 16 16 THR N N 16 115.600 115.600 113.899 1.701 18531
2677 1 11 . 1 1 16 16 THR HA H 16 4.730 4.730 4.667 0.063 18531
2678 1 11 . 1 1 16 16 THR CA C 16 60.600 60.600 60.714 -0.114 18531
2679 1 11 . 1 1 16 16 THR CB C 16 69.500 69.500 70.774 -1.274 18531
2680 1 11 . 1 1 16 16 THR H H 16 8.820 8.820 8.648 0.172 18531
2681 1 11 . 1 1 17 17 THR N N 17 111.800 111.800 114.305 -2.505 18531
2682 1 11 . 1 1 17 17 THR HA H 17 5.790 5.790 5.708 0.082 18531
2683 1 11 . 1 1 17 17 THR CA C 17 59.800 59.800 60.024 -0.224 18531
2684 1 11 . 1 1 17 17 THR CB C 17 73.100 73.100 72.662 0.438 18531
2685 1 11 . 1 1 17 17 THR H H 17 8.140 8.140 8.199 -0.059 18531
2686 1 11 . 1 1 18 18 THR N N 18 115.100 115.100 114.612 0.488 18531
2687 1 11 . 1 1 18 18 THR HA H 18 4.640 4.640 4.530 0.110 18531
2688 1 11 . 1 1 18 18 THR CA C 18 61.900 61.900 61.877 0.023 18531
2689 1 11 . 1 1 18 18 THR CB C 18 70.000 70.000 71.183 -1.183 18531
2690 1 11 . 1 1 18 18 THR H H 18 8.930 8.930 8.518 0.412 18531
2691 1 11 . 1 1 19 19 LYS N N 19 124.300 124.300 125.973 -1.673 18531
2692 1 11 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.514 0.816 18531
2693 1 11 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.141 -0.141 18531
2694 1 11 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.569 0.231 18531
2695 1 11 . 1 1 19 19 LYS H H 19 7.950 7.950 8.368 -0.418 18531
2696 1 11 . 1 1 20 20 ALA N N 20 124.600 124.600 128.785 -4.185 18531
2697 1 11 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.689 0.091 18531
2698 1 11 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.255 -0.355 18531
2699 1 11 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.905 1.895 18531
2700 1 11 . 1 1 20 20 ALA H H 20 9.110 9.110 8.082 1.028 18531
2701 1 11 . 1 1 21 21 VAL N N 21 115.300 115.300 115.332 -0.032 18531
2702 1 11 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.240 -0.130 18531
2703 1 11 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.108 0.191 18531
2704 1 11 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.458 0.742 18531
2705 1 11 . 1 1 21 21 VAL H H 21 8.480 8.480 8.393 0.087 18531
2706 1 11 . 1 1 22 22 ASP N N 22 115.200 115.200 118.483 -3.283 18531
2707 1 11 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.718 -0.008 18531
2708 1 11 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.924 -1.524 18531
2709 1 11 . 1 1 22 22 ASP CB C 22 42.200 42.200 43.071 -0.871 18531
2710 1 11 . 1 1 22 22 ASP H H 22 7.310 7.310 7.536 -0.226 18531
2711 1 11 . 1 1 23 23 ALA N N 23 121.000 121.000 127.185 -6.185 18531
2712 1 11 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.911 -0.571 18531
2713 1 11 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.208 -0.308 18531
2714 1 11 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.268 -0.768 18531
2715 1 11 . 1 1 23 23 ALA H H 23 8.370 8.370 8.736 -0.366 18531
2716 1 11 . 1 1 24 24 GLU N N 24 118.900 118.900 117.046 1.854 18531
2717 1 11 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.939 -0.079 18531
2718 1 11 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.694 1.006 18531
2719 1 11 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.229 0.871 18531
2720 1 11 . 1 1 24 24 GLU H H 24 8.410 8.410 8.750 -0.340 18531
2721 1 11 . 1 1 25 25 THR N N 25 117.400 117.400 117.387 0.013 18531
2722 1 11 . 1 1 25 25 THR HA H 25 3.670 3.670 4.082 -0.412 18531
2723 1 11 . 1 1 25 25 THR CA C 25 66.800 66.800 65.924 0.877 18531
2724 1 11 . 1 1 25 25 THR CB C 25 68.000 68.000 68.648 -0.648 18531
2725 1 11 . 1 1 25 25 THR H H 25 8.380 8.380 7.742 0.638 18531
2726 1 11 . 1 1 26 26 ALA N N 26 125.100 125.100 123.377 1.723 18531
2727 1 11 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.940 -0.750 18531
2728 1 11 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.749 0.251 18531
2729 1 11 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.294 -0.994 18531
2730 1 11 . 1 1 26 26 ALA H H 26 7.220 7.220 8.228 -1.008 18531
2731 1 11 . 1 1 27 27 GLU N N 27 117.400 117.400 119.047 -1.647 18531
2732 1 11 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.066 -1.476 18531
2733 1 11 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.228 -0.528 18531
2734 1 11 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.300 -0.100 18531
2735 1 11 . 1 1 27 27 GLU H H 27 8.370 8.370 8.283 0.087 18531
2736 1 11 . 1 1 28 28 LYS N N 28 116.300 116.300 118.482 -2.182 18531
2737 1 11 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.910 -0.240 18531
2738 1 11 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.357 0.243 18531
2739 1 11 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.797 0.403 18531
2740 1 11 . 1 1 28 28 LYS H H 28 7.170 7.170 7.938 -0.768 18531
2741 1 11 . 1 1 29 29 ALA N N 29 122.000 122.000 122.111 -0.111 18531
2742 1 11 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.060 0.030 18531
2743 1 11 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.962 -0.262 18531
2744 1 11 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.947 -0.447 18531
2745 1 11 . 1 1 29 29 ALA H H 29 7.200 7.200 7.375 -0.175 18531
2746 1 11 . 1 1 30 30 PHE N N 30 119.600 119.600 117.298 2.302 18531
2747 1 11 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.371 0.409 18531
2748 1 11 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.361 -4.761 18531
2749 1 11 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.700 -1.300 18531
2750 1 11 . 1 1 30 30 PHE H H 30 8.610 8.610 7.873 0.737 18531
2751 1 11 . 1 1 31 31 LYS N N 31 122.800 122.800 119.320 3.480 18531
2752 1 11 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.235 -0.145 18531
2753 1 11 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.903 -0.203 18531
2754 1 11 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.858 -0.258 18531
2755 1 11 . 1 1 31 31 LYS H H 31 9.030 9.030 8.583 0.447 18531
2756 1 11 . 1 1 32 32 GLN N N 32 119.600 119.600 119.328 0.272 18531
2757 1 11 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.069 -0.039 18531
2758 1 11 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.996 -0.296 18531
2759 1 11 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.533 -0.433 18531
2760 1 11 . 1 1 32 32 GLN H H 32 7.510 7.510 8.587 -1.077 18531
2761 1 11 . 1 1 33 33 TYR N N 33 120.400 120.400 119.748 0.652 18531
2762 1 11 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.554 -0.304 18531
2763 1 11 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.691 1.109 18531
2764 1 11 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.259 0.441 18531
2765 1 11 . 1 1 33 33 TYR H H 33 8.080 8.080 8.042 0.038 18531
2766 1 11 . 1 1 34 34 ALA N N 34 122.300 122.300 121.708 0.592 18531
2767 1 11 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.034 -0.254 18531
2768 1 11 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.076 1.024 18531
2769 1 11 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.365 -0.665 18531
2770 1 11 . 1 1 34 34 ALA H H 34 9.210 9.210 7.557 1.653 18531
2771 1 11 . 1 1 35 35 ASN N N 35 117.700 117.700 117.253 0.447 18531
2772 1 11 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.469 -0.009 18531
2773 1 11 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.860 1.140 18531
2774 1 11 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.270 0.730 18531
2775 1 11 . 1 1 35 35 ASN H H 35 8.390 8.390 8.111 0.279 18531
2776 1 11 . 1 1 36 36 ASP N N 36 121.100 121.100 121.259 -0.159 18531
2777 1 11 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.378 -0.018 18531
2778 1 11 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.693 0.007 18531
2779 1 11 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.324 -0.324 18531
2780 1 11 . 1 1 36 36 ASP H H 36 8.830 8.830 8.125 0.705 18531
2781 1 11 . 1 1 37 37 ASN N N 37 115.200 115.200 114.947 0.253 18531
2782 1 11 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.819 -0.209 18531
2783 1 11 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.691 1.009 18531
2784 1 11 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.031 0.969 18531
2785 1 11 . 1 1 37 37 ASN H H 37 7.390 7.390 7.477 -0.087 18531
2786 1 11 . 1 1 38 38 GLY N N 38 108.200 108.200 109.175 -0.975 18531
2787 1 11 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.256 0.144 18531
2788 1 11 . 1 1 38 38 GLY H H 38 7.800 7.800 8.237 -0.437 18531
2789 1 11 . 1 1 39 39 VAL N N 39 120.800 120.800 119.968 0.832 18531
2790 1 11 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.400 -0.260 18531
2791 1 11 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.112 0.588 18531
2792 1 11 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.324 1.976 18531
2793 1 11 . 1 1 39 39 VAL H H 39 8.120 8.120 8.071 0.049 18531
2794 1 11 . 1 1 40 40 ASP N N 40 128.000 128.000 127.670 0.330 18531
2795 1 11 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.008 -0.118 18531
2796 1 11 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.857 -0.057 18531
2797 1 11 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.696 -1.596 18531
2798 1 11 . 1 1 40 40 ASP H H 40 8.770 8.770 9.250 -0.480 18531
2799 1 11 . 1 1 41 41 GLY N N 41 107.100 107.100 108.809 -1.709 18531
2800 1 11 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.282 0.118 18531
2801 1 11 . 1 1 41 41 GLY H H 41 7.910 7.910 8.162 -0.252 18531
2802 1 11 . 1 1 42 42 VAL N N 42 120.300 120.300 122.132 -1.832 18531
2803 1 11 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.505 -0.125 18531
2804 1 11 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.029 2.071 18531
2805 1 11 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.033 0.367 18531
2806 1 11 . 1 1 42 42 VAL H H 42 8.250 8.250 8.078 0.172 18531
2807 1 11 . 1 1 43 43 TRP N N 43 130.700 130.700 128.366 2.334 18531
2808 1 11 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.930 0.430 18531
2809 1 11 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.346 1.254 18531
2810 1 11 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.080 -0.880 18531
2811 1 11 . 1 1 43 43 TRP H H 43 9.360 9.360 8.544 0.816 18531
2812 1 11 . 1 1 44 44 THR N N 44 114.500 114.500 116.138 -1.638 18531
2813 1 11 . 1 1 44 44 THR HA H 44 4.830 4.830 4.512 0.318 18531
2814 1 11 . 1 1 44 44 THR CA C 44 60.300 60.300 61.647 -1.347 18531
2815 1 11 . 1 1 44 44 THR CB C 44 72.100 72.100 70.834 1.266 18531
2816 1 11 . 1 1 44 44 THR H H 44 9.400 9.400 8.557 0.843 18531
2817 1 11 . 1 1 45 45 TYR N N 45 120.100 120.100 125.091 -4.991 18531
2818 1 11 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.741 0.229 18531
2819 1 11 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.282 -0.282 18531
2820 1 11 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.798 0.802 18531
2821 1 11 . 1 1 45 45 TYR H H 45 8.580 8.580 8.124 0.456 18531
2822 1 11 . 1 1 46 46 ASP N N 46 128.300 128.300 124.995 3.305 18531
2823 1 11 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.429 0.151 18531
2824 1 11 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.945 -0.045 18531
2825 1 11 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.378 -1.278 18531
2826 1 11 . 1 1 46 46 ASP H H 46 7.580 7.580 8.439 -0.859 18531
2827 1 11 . 1 1 47 47 ASP N N 47 124.800 124.800 123.413 1.387 18531
2828 1 11 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.452 -0.342 18531
2829 1 11 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.499 0.001 18531
2830 1 11 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.136 0.964 18531
2831 1 11 . 1 1 47 47 ASP H H 47 8.590 8.590 8.420 0.170 18531
2832 1 11 . 1 1 48 48 ALA N N 48 119.700 119.700 122.527 -2.827 18531
2833 1 11 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.158 -0.068 18531
2834 1 11 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.008 0.992 18531
2835 1 11 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.094 -0.794 18531
2836 1 11 . 1 1 48 48 ALA H H 48 8.340 8.340 8.474 -0.134 18531
2837 1 11 . 1 1 49 49 THR N N 49 103.200 103.200 113.132 -9.932 18531
2838 1 11 . 1 1 49 49 THR HA H 49 4.390 4.390 4.418 -0.028 18531
2839 1 11 . 1 1 49 49 THR CA C 49 60.200 60.200 61.913 -1.713 18531
2840 1 11 . 1 1 49 49 THR CB C 49 70.000 70.000 69.951 0.049 18531
2841 1 11 . 1 1 49 49 THR H H 49 7.000 7.000 7.985 -0.985 18531
2842 1 11 . 1 1 50 50 LYS N N 50 123.100 123.100 119.869 3.231 18531
2843 1 11 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.347 -0.157 18531
2844 1 11 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.705 0.895 18531
2845 1 11 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.164 -4.564 18531
2846 1 11 . 1 1 50 50 LYS H H 50 7.860 7.860 8.373 -0.513 18531
2847 1 11 . 1 1 51 51 THR N N 51 111.200 111.200 115.205 -4.005 18531
2848 1 11 . 1 1 51 51 THR HA H 51 5.490 5.490 4.773 0.717 18531
2849 1 11 . 1 1 51 51 THR CA C 51 62.300 62.300 61.370 0.930 18531
2850 1 11 . 1 1 51 51 THR CB C 51 72.100 72.100 69.540 2.560 18531
2851 1 11 . 1 1 51 51 THR H H 51 7.390 7.390 7.580 -0.190 18531
2852 1 11 . 1 1 52 52 PHE N N 52 131.000 131.000 126.742 4.258 18531
2853 1 11 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.763 0.867 18531
2854 1 11 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.569 2.731 18531
2855 1 11 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.546 2.054 18531
2856 1 11 . 1 1 52 52 PHE H H 52 10.390 10.390 8.281 2.109 18531
2857 1 11 . 1 1 53 53 THR N N 53 117.400 117.400 116.473 0.927 18531
2858 1 11 . 1 1 53 53 THR HA H 53 5.270 5.270 4.837 0.433 18531
2859 1 11 . 1 1 53 53 THR CA C 53 61.200 61.200 62.028 -0.828 18531
2860 1 11 . 1 1 53 53 THR CB C 53 71.000 71.000 71.149 -0.149 18531
2861 1 11 . 1 1 53 53 THR H H 53 9.180 9.180 8.809 0.371 18531
2862 1 11 . 1 1 54 54 VAL N N 54 123.000 123.000 127.264 -4.264 18531
2863 1 11 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.118 0.342 18531
2864 1 11 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.603 -2.503 18531
2865 1 11 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.473 -1.173 18531
2866 1 11 . 1 1 54 54 VAL H H 54 8.280 8.280 8.988 -0.708 18531
2867 1 11 . 1 1 55 55 THR N N 55 123.900 123.900 118.894 5.006 18531
2868 1 11 . 1 1 55 55 THR HA H 55 4.700 4.700 4.757 -0.057 18531
2869 1 11 . 1 1 55 55 THR CA C 55 61.200 61.200 59.336 1.864 18531
2870 1 11 . 1 1 55 55 THR CB C 55 70.700 70.700 71.341 -0.641 18531
2871 1 11 . 1 1 55 55 THR H H 55 8.320 8.320 8.339 -0.019 18531
2872 1 12 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.260 -0.210 18531
2873 1 12 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.213 1.387 18531
2874 1 12 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.366 0.334 18531
2875 1 12 . 1 1 2 2 GLN H H 2 8.410 8.410 8.110 0.300 18531
2876 1 12 . 1 1 3 3 TYR N N 3 124.000 124.000 123.601 0.399 18531
2877 1 12 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.200 0.160 18531
2878 1 12 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.497 0.603 18531
2879 1 12 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.036 1.564 18531
2880 1 12 . 1 1 3 3 TYR H H 3 9.070 9.070 8.332 0.738 18531
2881 1 12 . 1 1 4 4 LYS N N 4 122.500 122.500 120.139 2.361 18531
2882 1 12 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.426 -0.206 18531
2883 1 12 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.229 0.771 18531
2884 1 12 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.635 -0.635 18531
2885 1 12 . 1 1 4 4 LYS H H 4 9.100 9.100 8.891 0.209 18531
2886 1 12 . 1 1 5 5 LEU N N 5 126.400 126.400 125.851 0.549 18531
2887 1 12 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.039 -0.069 18531
2888 1 12 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.698 -0.898 18531
2889 1 12 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.002 -1.402 18531
2890 1 12 . 1 1 5 5 LEU H H 5 8.620 8.620 8.237 0.383 18531
2891 1 12 . 1 1 6 6 VAL N N 6 127.000 127.000 127.192 -0.192 18531
2892 1 12 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.712 -0.552 18531
2893 1 12 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.592 0.709 18531
2894 1 12 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.789 -1.089 18531
2895 1 12 . 1 1 6 6 VAL H H 6 9.190 9.190 9.306 -0.116 18531
2896 1 12 . 1 1 7 7 ILE N N 7 125.400 125.400 126.514 -1.114 18531
2897 1 12 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.307 -0.217 18531
2898 1 12 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.645 0.055 18531
2899 1 12 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.114 0.886 18531
2900 1 12 . 1 1 7 7 ILE H H 7 8.800 8.800 8.694 0.106 18531
2901 1 12 . 1 1 8 8 ASN N N 8 128.900 128.900 125.655 3.245 18531
2902 1 12 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.953 0.327 18531
2903 1 12 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.221 -1.421 18531
2904 1 12 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.109 -1.009 18531
2905 1 12 . 1 1 8 8 ASN H H 8 8.990 8.990 8.117 0.873 18531
2906 1 12 . 1 1 9 9 GLY N N 9 110.200 110.200 108.988 1.212 18531
2907 1 12 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.650 0.050 18531
2908 1 12 . 1 1 9 9 GLY H H 9 7.920 7.920 7.590 0.330 18531
2909 1 12 . 1 1 10 10 LYS N N 10 120.700 120.700 120.170 0.530 18531
2910 1 12 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.300 -0.240 18531
2911 1 12 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.051 0.149 18531
2912 1 12 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.261 -0.361 18531
2913 1 12 . 1 1 10 10 LYS H H 10 9.520 9.520 8.083 1.437 18531
2914 1 12 . 1 1 11 11 THR N N 11 108.900 108.900 113.124 -4.224 18531
2915 1 12 . 1 1 11 11 THR HA H 11 4.360 4.360 4.475 -0.115 18531
2916 1 12 . 1 1 11 11 THR CA C 11 62.000 62.000 61.771 0.229 18531
2917 1 12 . 1 1 11 11 THR CB C 11 69.800 69.800 69.645 0.155 18531
2918 1 12 . 1 1 11 11 THR H H 11 8.790 8.790 8.150 0.640 18531
2919 1 12 . 1 1 12 12 LEU N N 12 125.700 125.700 124.582 1.118 18531
2920 1 12 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.565 -0.125 18531
2921 1 12 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.866 0.134 18531
2922 1 12 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.016 -0.716 18531
2923 1 12 . 1 1 12 12 LEU H H 12 7.580 7.580 7.610 -0.030 18531
2924 1 12 . 1 1 13 13 LYS N N 13 123.500 123.500 123.914 -0.414 18531
2925 1 12 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.626 -0.506 18531
2926 1 12 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.581 -0.680 18531
2927 1 12 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.514 -0.714 18531
2928 1 12 . 1 1 13 13 LYS H H 13 8.140 8.140 8.354 -0.214 18531
2929 1 12 . 1 1 14 14 GLY N N 14 109.100 109.100 110.051 -0.951 18531
2930 1 12 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.716 -0.516 18531
2931 1 12 . 1 1 14 14 GLY H H 14 8.340 8.340 8.189 0.151 18531
2932 1 12 . 1 1 15 15 GLU N N 15 118.200 118.200 118.821 -0.621 18531
2933 1 12 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.699 -0.099 18531
2934 1 12 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.897 -0.397 18531
2935 1 12 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.627 0.173 18531
2936 1 12 . 1 1 15 15 GLU H H 15 8.390 8.390 8.499 -0.109 18531
2937 1 12 . 1 1 16 16 THR N N 16 115.600 115.600 113.952 1.648 18531
2938 1 12 . 1 1 16 16 THR HA H 16 4.730 4.730 4.667 0.063 18531
2939 1 12 . 1 1 16 16 THR CA C 16 60.600 60.600 60.982 -0.382 18531
2940 1 12 . 1 1 16 16 THR CB C 16 69.500 69.500 69.970 -0.470 18531
2941 1 12 . 1 1 16 16 THR H H 16 8.820 8.820 8.266 0.554 18531
2942 1 12 . 1 1 17 17 THR N N 17 111.800 111.800 113.605 -1.805 18531
2943 1 12 . 1 1 17 17 THR HA H 17 5.790 5.790 5.723 0.067 18531
2944 1 12 . 1 1 17 17 THR CA C 17 59.800 59.800 60.454 -0.654 18531
2945 1 12 . 1 1 17 17 THR CB C 17 73.100 73.100 72.237 0.863 18531
2946 1 12 . 1 1 17 17 THR H H 17 8.140 8.140 8.261 -0.121 18531
2947 1 12 . 1 1 18 18 THR N N 18 115.100 115.100 113.088 2.012 18531
2948 1 12 . 1 1 18 18 THR HA H 18 4.640 4.640 4.524 0.116 18531
2949 1 12 . 1 1 18 18 THR CA C 18 61.900 61.900 61.825 0.075 18531
2950 1 12 . 1 1 18 18 THR CB C 18 70.000 70.000 70.912 -0.912 18531
2951 1 12 . 1 1 18 18 THR H H 18 8.930 8.930 8.322 0.608 18531
2952 1 12 . 1 1 19 19 LYS N N 19 124.300 124.300 121.841 2.459 18531
2953 1 12 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.119 0.211 18531
2954 1 12 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.175 -0.175 18531
2955 1 12 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.318 -0.518 18531
2956 1 12 . 1 1 19 19 LYS H H 19 7.950 7.950 8.274 -0.324 18531
2957 1 12 . 1 1 20 20 ALA N N 20 124.600 124.600 126.646 -2.046 18531
2958 1 12 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.718 0.062 18531
2959 1 12 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.324 -0.423 18531
2960 1 12 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.369 2.431 18531
2961 1 12 . 1 1 20 20 ALA H H 20 9.110 9.110 8.518 0.592 18531
2962 1 12 . 1 1 21 21 VAL N N 21 115.300 115.300 118.847 -3.547 18531
2963 1 12 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.085 0.025 18531
2964 1 12 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.917 -0.617 18531
2965 1 12 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.561 0.639 18531
2966 1 12 . 1 1 21 21 VAL H H 21 8.480 8.480 8.459 0.021 18531
2967 1 12 . 1 1 22 22 ASP N N 22 115.200 115.200 115.162 0.038 18531
2968 1 12 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.695 0.015 18531
2969 1 12 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.365 -0.965 18531
2970 1 12 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.628 0.572 18531
2971 1 12 . 1 1 22 22 ASP H H 22 7.310 7.310 7.580 -0.270 18531
2972 1 12 . 1 1 23 23 ALA N N 23 121.000 121.000 123.498 -2.498 18531
2973 1 12 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.513 -0.173 18531
2974 1 12 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.154 -0.254 18531
2975 1 12 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.404 -0.904 18531
2976 1 12 . 1 1 23 23 ALA H H 23 8.370 8.370 8.675 -0.305 18531
2977 1 12 . 1 1 24 24 GLU N N 24 118.900 118.900 118.077 0.823 18531
2978 1 12 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.971 -0.111 18531
2979 1 12 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.091 0.609 18531
2980 1 12 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.960 0.140 18531
2981 1 12 . 1 1 24 24 GLU H H 24 8.410 8.410 8.618 -0.208 18531
2982 1 12 . 1 1 25 25 THR N N 25 117.400 117.400 115.941 1.459 18531
2983 1 12 . 1 1 25 25 THR HA H 25 3.670 3.670 4.062 -0.392 18531
2984 1 12 . 1 1 25 25 THR CA C 25 66.800 66.800 65.250 1.550 18531
2985 1 12 . 1 1 25 25 THR CB C 25 68.000 68.000 68.851 -0.851 18531
2986 1 12 . 1 1 25 25 THR H H 25 8.380 8.380 7.808 0.572 18531
2987 1 12 . 1 1 26 26 ALA N N 26 125.100 125.100 123.103 1.997 18531
2988 1 12 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.891 -0.701 18531
2989 1 12 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.571 1.429 18531
2990 1 12 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.909 -0.609 18531
2991 1 12 . 1 1 26 26 ALA H H 26 7.220 7.220 7.949 -0.729 18531
2992 1 12 . 1 1 27 27 GLU N N 27 117.400 117.400 119.879 -2.479 18531
2993 1 12 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.736 -1.146 18531
2994 1 12 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.781 -0.081 18531
2995 1 12 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.311 -0.111 18531
2996 1 12 . 1 1 27 27 GLU H H 27 8.370 8.370 8.065 0.305 18531
2997 1 12 . 1 1 28 28 LYS N N 28 116.300 116.300 118.516 -2.216 18531
2998 1 12 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.822 -0.152 18531
2999 1 12 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.572 0.028 18531
3000 1 12 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.911 0.289 18531
3001 1 12 . 1 1 28 28 LYS H H 28 7.170 7.170 7.577 -0.407 18531
3002 1 12 . 1 1 29 29 ALA N N 29 122.000 122.000 121.110 0.890 18531
3003 1 12 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.999 0.091 18531
3004 1 12 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.611 0.089 18531
3005 1 12 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.952 -0.452 18531
3006 1 12 . 1 1 29 29 ALA H H 29 7.200 7.200 7.748 -0.548 18531
3007 1 12 . 1 1 30 30 PHE N N 30 119.600 119.600 116.671 2.929 18531
3008 1 12 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.363 0.417 18531
3009 1 12 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.969 -3.369 18531
3010 1 12 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.532 -1.132 18531
3011 1 12 . 1 1 30 30 PHE H H 30 8.610 8.610 7.705 0.905 18531
3012 1 12 . 1 1 31 31 LYS N N 31 122.800 122.800 120.167 2.633 18531
3013 1 12 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.946 0.144 18531
3014 1 12 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.697 0.003 18531
3015 1 12 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.053 -0.453 18531
3016 1 12 . 1 1 31 31 LYS H H 31 9.030 9.030 8.194 0.836 18531
3017 1 12 . 1 1 32 32 GLN N N 32 119.600 119.600 119.490 0.110 18531
3018 1 12 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.001 0.029 18531
3019 1 12 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.300 -0.599 18531
3020 1 12 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.734 -0.634 18531
3021 1 12 . 1 1 32 32 GLN H H 32 7.510 7.510 8.721 -1.211 18531
3022 1 12 . 1 1 33 33 TYR N N 33 120.400 120.400 120.952 -0.552 18531
3023 1 12 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.480 -0.230 18531
3024 1 12 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.776 1.024 18531
3025 1 12 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.184 0.516 18531
3026 1 12 . 1 1 33 33 TYR H H 33 8.080 8.080 7.735 0.345 18531
3027 1 12 . 1 1 34 34 ALA N N 34 122.300 122.300 120.913 1.387 18531
3028 1 12 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.808 -0.028 18531
3029 1 12 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.081 1.019 18531
3030 1 12 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.459 -0.759 18531
3031 1 12 . 1 1 34 34 ALA H H 34 9.210 9.210 7.661 1.549 18531
3032 1 12 . 1 1 35 35 ASN N N 35 117.700 117.700 117.452 0.248 18531
3033 1 12 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.443 0.017 18531
3034 1 12 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.053 0.947 18531
3035 1 12 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.907 1.093 18531
3036 1 12 . 1 1 35 35 ASN H H 35 8.390 8.390 8.046 0.344 18531
3037 1 12 . 1 1 36 36 ASP N N 36 121.100 121.100 121.195 -0.095 18531
3038 1 12 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.411 -0.051 18531
3039 1 12 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.943 -0.243 18531
3040 1 12 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.294 -0.294 18531
3041 1 12 . 1 1 36 36 ASP H H 36 8.830 8.830 8.287 0.543 18531
3042 1 12 . 1 1 37 37 ASN N N 37 115.200 115.200 115.275 -0.075 18531
3043 1 12 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.840 -0.230 18531
3044 1 12 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.491 1.209 18531
3045 1 12 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.509 1.491 18531
3046 1 12 . 1 1 37 37 ASN H H 37 7.390 7.390 7.519 -0.129 18531
3047 1 12 . 1 1 38 38 GLY N N 38 108.200 108.200 108.563 -0.363 18531
3048 1 12 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.106 0.294 18531
3049 1 12 . 1 1 38 38 GLY H H 38 7.800 7.800 8.177 -0.377 18531
3050 1 12 . 1 1 39 39 VAL N N 39 120.800 120.800 120.054 0.746 18531
3051 1 12 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.281 -0.141 18531
3052 1 12 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.160 -0.460 18531
3053 1 12 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.864 1.436 18531
3054 1 12 . 1 1 39 39 VAL H H 39 8.120 8.120 7.965 0.155 18531
3055 1 12 . 1 1 40 40 ASP N N 40 128.000 128.000 127.531 0.469 18531
3056 1 12 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.802 0.088 18531
3057 1 12 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.242 -0.442 18531
3058 1 12 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.654 -0.554 18531
3059 1 12 . 1 1 40 40 ASP H H 40 8.770 8.770 8.404 0.366 18531
3060 1 12 . 1 1 41 41 GLY N N 41 107.100 107.100 109.763 -2.663 18531
3061 1 12 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.796 0.604 18531
3062 1 12 . 1 1 41 41 GLY H H 41 7.910 7.910 7.953 -0.043 18531
3063 1 12 . 1 1 42 42 VAL N N 42 120.300 120.300 117.871 2.429 18531
3064 1 12 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.456 -0.076 18531
3065 1 12 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.373 1.727 18531
3066 1 12 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.795 0.605 18531
3067 1 12 . 1 1 42 42 VAL H H 42 8.250 8.250 7.525 0.725 18531
3068 1 12 . 1 1 43 43 TRP N N 43 130.700 130.700 128.340 2.360 18531
3069 1 12 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.034 0.326 18531
3070 1 12 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.355 1.245 18531
3071 1 12 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.817 0.384 18531
3072 1 12 . 1 1 43 43 TRP H H 43 9.360 9.360 8.508 0.852 18531
3073 1 12 . 1 1 44 44 THR N N 44 114.500 114.500 118.192 -3.692 18531
3074 1 12 . 1 1 44 44 THR HA H 44 4.830 4.830 4.868 -0.038 18531
3075 1 12 . 1 1 44 44 THR CA C 44 60.300 60.300 61.419 -1.119 18531
3076 1 12 . 1 1 44 44 THR CB C 44 72.100 72.100 70.909 1.191 18531
3077 1 12 . 1 1 44 44 THR H H 44 9.400 9.400 8.417 0.983 18531
3078 1 12 . 1 1 45 45 TYR N N 45 120.100 120.100 123.010 -2.910 18531
3079 1 12 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.883 0.087 18531
3080 1 12 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.438 0.562 18531
3081 1 12 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.854 1.746 18531
3082 1 12 . 1 1 45 45 TYR H H 45 8.580 8.580 8.277 0.303 18531
3083 1 12 . 1 1 46 46 ASP N N 46 128.300 128.300 122.600 5.700 18531
3084 1 12 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.430 0.150 18531
3085 1 12 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.012 -0.112 18531
3086 1 12 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.758 -0.659 18531
3087 1 12 . 1 1 46 46 ASP H H 46 7.580 7.580 8.384 -0.804 18531
3088 1 12 . 1 1 47 47 ASP N N 47 124.800 124.800 125.115 -0.315 18531
3089 1 12 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.383 -0.273 18531
3090 1 12 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.476 0.024 18531
3091 1 12 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.199 0.901 18531
3092 1 12 . 1 1 47 47 ASP H H 47 8.590 8.590 8.409 0.181 18531
3093 1 12 . 1 1 48 48 ALA N N 48 119.700 119.700 120.796 -1.096 18531
3094 1 12 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.060 0.030 18531
3095 1 12 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.267 0.733 18531
3096 1 12 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.963 -0.663 18531
3097 1 12 . 1 1 48 48 ALA H H 48 8.340 8.340 7.939 0.401 18531
3098 1 12 . 1 1 49 49 THR N N 49 103.200 103.200 110.496 -7.296 18531
3099 1 12 . 1 1 49 49 THR HA H 49 4.390 4.390 4.505 -0.115 18531
3100 1 12 . 1 1 49 49 THR CA C 49 60.200 60.200 60.350 -0.150 18531
3101 1 12 . 1 1 49 49 THR CB C 49 70.000 70.000 70.684 -0.684 18531
3102 1 12 . 1 1 49 49 THR H H 49 7.000 7.000 7.416 -0.416 18531
3103 1 12 . 1 1 50 50 LYS N N 50 123.100 123.100 119.030 4.070 18531
3104 1 12 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.947 -0.757 18531
3105 1 12 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.147 0.453 18531
3106 1 12 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.433 -4.833 18531
3107 1 12 . 1 1 50 50 LYS H H 50 7.860 7.860 8.441 -0.581 18531
3108 1 12 . 1 1 51 51 THR N N 51 111.200 111.200 117.755 -6.555 18531
3109 1 12 . 1 1 51 51 THR HA H 51 5.490 5.490 4.767 0.723 18531
3110 1 12 . 1 1 51 51 THR CA C 51 62.300 62.300 62.454 -0.154 18531
3111 1 12 . 1 1 51 51 THR CB C 51 72.100 72.100 70.593 1.507 18531
3112 1 12 . 1 1 51 51 THR H H 51 7.390 7.390 8.072 -0.682 18531
3113 1 12 . 1 1 52 52 PHE N N 52 131.000 131.000 125.901 5.099 18531
3114 1 12 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.389 0.241 18531
3115 1 12 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.821 1.479 18531
3116 1 12 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.564 0.036 18531
3117 1 12 . 1 1 52 52 PHE H H 52 10.390 10.390 9.062 1.328 18531
3118 1 12 . 1 1 53 53 THR N N 53 117.400 117.400 118.134 -0.734 18531
3119 1 12 . 1 1 53 53 THR HA H 53 5.270 5.270 5.239 0.031 18531
3120 1 12 . 1 1 53 53 THR CA C 53 61.200 61.200 61.472 -0.272 18531
3121 1 12 . 1 1 53 53 THR CB C 53 71.000 71.000 72.144 -1.144 18531
3122 1 12 . 1 1 53 53 THR H H 53 9.180 9.180 8.426 0.754 18531
3123 1 12 . 1 1 54 54 VAL N N 54 123.000 123.000 125.140 -2.140 18531
3124 1 12 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.438 0.022 18531
3125 1 12 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.700 -1.601 18531
3126 1 12 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.265 -1.965 18531
3127 1 12 . 1 1 54 54 VAL H H 54 8.280 8.280 8.298 -0.018 18531
3128 1 12 . 1 1 55 55 THR N N 55 123.900 123.900 124.606 -0.706 18531
3129 1 12 . 1 1 55 55 THR HA H 55 4.700 4.700 4.855 -0.155 18531
3130 1 12 . 1 1 55 55 THR CA C 55 61.200 61.200 60.730 0.470 18531
3131 1 12 . 1 1 55 55 THR CB C 55 70.700 70.700 70.177 0.523 18531
3132 1 12 . 1 1 55 55 THR H H 55 8.320 8.320 8.171 0.149 18531
3133 1 13 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.346 -0.296 18531
3134 1 13 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.953 1.647 18531
3135 1 13 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.331 0.369 18531
3136 1 13 . 1 1 2 2 GLN H H 2 8.410 8.410 8.032 0.378 18531
3137 1 13 . 1 1 3 3 TYR N N 3 124.000 124.000 123.026 0.974 18531
3138 1 13 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.708 0.652 18531
3139 1 13 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.054 0.046 18531
3140 1 13 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.839 1.761 18531
3141 1 13 . 1 1 3 3 TYR H H 3 9.070 9.070 8.128 0.942 18531
3142 1 13 . 1 1 4 4 LYS N N 4 122.500 122.500 122.869 -0.369 18531
3143 1 13 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.237 -0.017 18531
3144 1 13 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.471 0.529 18531
3145 1 13 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.867 0.133 18531
3146 1 13 . 1 1 4 4 LYS H H 4 9.100 9.100 8.823 0.277 18531
3147 1 13 . 1 1 5 5 LEU N N 5 126.400 126.400 126.731 -0.331 18531
3148 1 13 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.423 -0.453 18531
3149 1 13 . 1 1 5 5 LEU CA C 5 52.800 52.800 52.839 -0.039 18531
3150 1 13 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.270 -3.671 18531
3151 1 13 . 1 1 5 5 LEU H H 5 8.620 8.620 8.704 -0.084 18531
3152 1 13 . 1 1 6 6 VAL N N 6 127.000 127.000 123.046 3.954 18531
3153 1 13 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.802 -0.642 18531
3154 1 13 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.673 1.627 18531
3155 1 13 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.761 -3.061 18531
3156 1 13 . 1 1 6 6 VAL H H 6 9.190 9.190 8.815 0.375 18531
3157 1 13 . 1 1 7 7 ILE N N 7 125.400 125.400 125.432 -0.032 18531
3158 1 13 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.332 -0.242 18531
3159 1 13 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.632 0.068 18531
3160 1 13 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.128 -0.128 18531
3161 1 13 . 1 1 7 7 ILE H H 7 8.800 8.800 9.155 -0.355 18531
3162 1 13 . 1 1 8 8 ASN N N 8 128.900 128.900 127.035 1.865 18531
3163 1 13 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.997 0.283 18531
3164 1 13 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.511 -1.711 18531
3165 1 13 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.599 -0.499 18531
3166 1 13 . 1 1 8 8 ASN H H 8 8.990 8.990 8.867 0.123 18531
3167 1 13 . 1 1 9 9 GLY N N 9 110.200 110.200 109.146 1.054 18531
3168 1 13 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.145 0.555 18531
3169 1 13 . 1 1 9 9 GLY H H 9 7.920 7.920 7.856 0.064 18531
3170 1 13 . 1 1 10 10 LYS N N 10 120.700 120.700 119.202 1.498 18531
3171 1 13 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.287 -0.227 18531
3172 1 13 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.133 1.067 18531
3173 1 13 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.690 0.210 18531
3174 1 13 . 1 1 10 10 LYS H H 10 9.520 9.520 8.347 1.173 18531
3175 1 13 . 1 1 11 11 THR N N 11 108.900 108.900 113.074 -4.174 18531
3176 1 13 . 1 1 11 11 THR HA H 11 4.360 4.360 4.445 -0.085 18531
3177 1 13 . 1 1 11 11 THR CA C 11 62.000 62.000 62.023 -0.023 18531
3178 1 13 . 1 1 11 11 THR CB C 11 69.800 69.800 69.590 0.210 18531
3179 1 13 . 1 1 11 11 THR H H 11 8.790 8.790 7.997 0.793 18531
3180 1 13 . 1 1 12 12 LEU N N 12 125.700 125.700 123.539 2.161 18531
3181 1 13 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.587 -0.147 18531
3182 1 13 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.987 0.013 18531
3183 1 13 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.916 -0.616 18531
3184 1 13 . 1 1 12 12 LEU H H 12 7.580 7.580 7.647 -0.067 18531
3185 1 13 . 1 1 13 13 LYS N N 13 123.500 123.500 124.190 -0.690 18531
3186 1 13 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.547 -0.427 18531
3187 1 13 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.572 -0.672 18531
3188 1 13 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.666 -0.866 18531
3189 1 13 . 1 1 13 13 LYS H H 13 8.140 8.140 8.316 -0.176 18531
3190 1 13 . 1 1 14 14 GLY N N 14 109.100 109.100 109.296 -0.196 18531
3191 1 13 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.620 -0.420 18531
3192 1 13 . 1 1 14 14 GLY H H 14 8.340 8.340 7.986 0.354 18531
3193 1 13 . 1 1 15 15 GLU N N 15 118.200 118.200 118.768 -0.568 18531
3194 1 13 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.471 0.129 18531
3195 1 13 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.976 -0.476 18531
3196 1 13 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.684 0.116 18531
3197 1 13 . 1 1 15 15 GLU H H 15 8.390 8.390 8.460 -0.070 18531
3198 1 13 . 1 1 16 16 THR N N 16 115.600 115.600 115.095 0.505 18531
3199 1 13 . 1 1 16 16 THR HA H 16 4.730 4.730 4.730 0.000 18531
3200 1 13 . 1 1 16 16 THR CA C 16 60.600 60.600 60.422 0.178 18531
3201 1 13 . 1 1 16 16 THR CB C 16 69.500 69.500 69.732 -0.232 18531
3202 1 13 . 1 1 16 16 THR H H 16 8.820 8.820 8.501 0.319 18531
3203 1 13 . 1 1 17 17 THR N N 17 111.800 111.800 115.075 -3.275 18531
3204 1 13 . 1 1 17 17 THR HA H 17 5.790 5.790 5.785 0.005 18531
3205 1 13 . 1 1 17 17 THR CA C 17 59.800 59.800 59.866 -0.066 18531
3206 1 13 . 1 1 17 17 THR CB C 17 73.100 73.100 72.246 0.854 18531
3207 1 13 . 1 1 17 17 THR H H 17 8.140 8.140 8.217 -0.077 18531
3208 1 13 . 1 1 18 18 THR N N 18 115.100 115.100 114.213 0.887 18531
3209 1 13 . 1 1 18 18 THR HA H 18 4.640 4.640 4.506 0.134 18531
3210 1 13 . 1 1 18 18 THR CA C 18 61.900 61.900 61.155 0.745 18531
3211 1 13 . 1 1 18 18 THR CB C 18 70.000 70.000 69.628 0.372 18531
3212 1 13 . 1 1 18 18 THR H H 18 8.930 8.930 8.360 0.570 18531
3213 1 13 . 1 1 19 19 LYS N N 19 124.300 124.300 120.565 3.735 18531
3214 1 13 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.375 -0.045 18531
3215 1 13 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.588 -0.588 18531
3216 1 13 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.169 -0.368 18531
3217 1 13 . 1 1 19 19 LYS H H 19 7.950 7.950 8.282 -0.332 18531
3218 1 13 . 1 1 20 20 ALA N N 20 124.600 124.600 126.882 -2.282 18531
3219 1 13 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.751 0.029 18531
3220 1 13 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.457 -0.557 18531
3221 1 13 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.739 2.061 18531
3222 1 13 . 1 1 20 20 ALA H H 20 9.110 9.110 8.625 0.485 18531
3223 1 13 . 1 1 21 21 VAL N N 21 115.300 115.300 115.651 -0.351 18531
3224 1 13 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.238 -0.128 18531
3225 1 13 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.023 0.277 18531
3226 1 13 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.703 0.496 18531
3227 1 13 . 1 1 21 21 VAL H H 21 8.480 8.480 8.219 0.261 18531
3228 1 13 . 1 1 22 22 ASP N N 22 115.200 115.200 117.899 -2.699 18531
3229 1 13 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.726 -0.016 18531
3230 1 13 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.444 -1.044 18531
3231 1 13 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.909 -0.709 18531
3232 1 13 . 1 1 22 22 ASP H H 22 7.310 7.310 7.611 -0.301 18531
3233 1 13 . 1 1 23 23 ALA N N 23 121.000 121.000 127.087 -6.087 18531
3234 1 13 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.625 -0.285 18531
3235 1 13 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.346 -0.446 18531
3236 1 13 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.428 -0.928 18531
3237 1 13 . 1 1 23 23 ALA H H 23 8.370 8.370 8.606 -0.236 18531
3238 1 13 . 1 1 24 24 GLU N N 24 118.900 118.900 116.943 1.957 18531
3239 1 13 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.823 0.037 18531
3240 1 13 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.005 0.695 18531
3241 1 13 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.790 0.310 18531
3242 1 13 . 1 1 24 24 GLU H H 24 8.410 8.410 8.783 -0.373 18531
3243 1 13 . 1 1 25 25 THR N N 25 117.400 117.400 115.993 1.407 18531
3244 1 13 . 1 1 25 25 THR HA H 25 3.670 3.670 3.991 -0.321 18531
3245 1 13 . 1 1 25 25 THR CA C 25 66.800 66.800 65.786 1.014 18531
3246 1 13 . 1 1 25 25 THR CB C 25 68.000 68.000 68.688 -0.688 18531
3247 1 13 . 1 1 25 25 THR H H 25 8.380 8.380 7.558 0.822 18531
3248 1 13 . 1 1 26 26 ALA N N 26 125.100 125.100 123.195 1.905 18531
3249 1 13 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.913 -0.723 18531
3250 1 13 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.253 0.747 18531
3251 1 13 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.798 -0.498 18531
3252 1 13 . 1 1 26 26 ALA H H 26 7.220 7.220 7.869 -0.649 18531
3253 1 13 . 1 1 27 27 GLU N N 27 117.400 117.400 119.142 -1.742 18531
3254 1 13 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.819 -1.229 18531
3255 1 13 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.154 -0.454 18531
3256 1 13 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.111 0.089 18531
3257 1 13 . 1 1 27 27 GLU H H 27 8.370 8.370 7.742 0.628 18531
3258 1 13 . 1 1 28 28 LYS N N 28 116.300 116.300 118.619 -2.319 18531
3259 1 13 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.870 -0.200 18531
3260 1 13 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.408 0.192 18531
3261 1 13 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.894 0.306 18531
3262 1 13 . 1 1 28 28 LYS H H 28 7.170 7.170 7.900 -0.730 18531
3263 1 13 . 1 1 29 29 ALA N N 29 122.000 122.000 122.064 -0.064 18531
3264 1 13 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.046 0.044 18531
3265 1 13 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.819 -0.119 18531
3266 1 13 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.260 -0.760 18531
3267 1 13 . 1 1 29 29 ALA H H 29 7.200 7.200 7.438 -0.238 18531
3268 1 13 . 1 1 30 30 PHE N N 30 119.600 119.600 117.840 1.760 18531
3269 1 13 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.347 0.433 18531
3270 1 13 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.699 -4.099 18531
3271 1 13 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.914 -1.514 18531
3272 1 13 . 1 1 30 30 PHE H H 30 8.610 8.610 8.263 0.347 18531
3273 1 13 . 1 1 31 31 LYS N N 31 122.800 122.800 119.037 3.763 18531
3274 1 13 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.786 0.304 18531
3275 1 13 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.074 0.626 18531
3276 1 13 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.026 -0.426 18531
3277 1 13 . 1 1 31 31 LYS H H 31 9.030 9.030 8.299 0.731 18531
3278 1 13 . 1 1 32 32 GLN N N 32 119.600 119.600 119.938 -0.338 18531
3279 1 13 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.957 0.073 18531
3280 1 13 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.328 -0.628 18531
3281 1 13 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.517 -0.417 18531
3282 1 13 . 1 1 32 32 GLN H H 32 7.510 7.510 8.560 -1.050 18531
3283 1 13 . 1 1 33 33 TYR N N 33 120.400 120.400 119.807 0.593 18531
3284 1 13 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.573 -0.323 18531
3285 1 13 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.542 1.258 18531
3286 1 13 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.356 0.344 18531
3287 1 13 . 1 1 33 33 TYR H H 33 8.080 8.080 7.799 0.281 18531
3288 1 13 . 1 1 34 34 ALA N N 34 122.300 122.300 120.682 1.618 18531
3289 1 13 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.047 -0.267 18531
3290 1 13 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.316 0.784 18531
3291 1 13 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.534 -0.834 18531
3292 1 13 . 1 1 34 34 ALA H H 34 9.210 9.210 7.674 1.536 18531
3293 1 13 . 1 1 35 35 ASN N N 35 117.700 117.700 117.489 0.211 18531
3294 1 13 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.509 -0.049 18531
3295 1 13 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.674 1.326 18531
3296 1 13 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.956 1.044 18531
3297 1 13 . 1 1 35 35 ASN H H 35 8.390 8.390 7.955 0.435 18531
3298 1 13 . 1 1 36 36 ASP N N 36 121.100 121.100 121.087 0.013 18531
3299 1 13 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.383 -0.023 18531
3300 1 13 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.858 -0.158 18531
3301 1 13 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.219 -0.219 18531
3302 1 13 . 1 1 36 36 ASP H H 36 8.830 8.830 7.950 0.880 18531
3303 1 13 . 1 1 37 37 ASN N N 37 115.200 115.200 115.186 0.014 18531
3304 1 13 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.859 -0.249 18531
3305 1 13 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.444 1.256 18531
3306 1 13 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.606 1.394 18531
3307 1 13 . 1 1 37 37 ASN H H 37 7.390 7.390 7.372 0.018 18531
3308 1 13 . 1 1 38 38 GLY N N 38 108.200 108.200 108.761 -0.561 18531
3309 1 13 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.221 0.179 18531
3310 1 13 . 1 1 38 38 GLY H H 38 7.800 7.800 8.193 -0.393 18531
3311 1 13 . 1 1 39 39 VAL N N 39 120.800 120.800 120.160 0.640 18531
3312 1 13 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.034 0.106 18531
3313 1 13 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.046 -0.346 18531
3314 1 13 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.495 1.805 18531
3315 1 13 . 1 1 39 39 VAL H H 39 8.120 8.120 8.143 -0.023 18531
3316 1 13 . 1 1 40 40 ASP N N 40 128.000 128.000 127.520 0.480 18531
3317 1 13 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.872 0.018 18531
3318 1 13 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.065 -0.265 18531
3319 1 13 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.882 -0.782 18531
3320 1 13 . 1 1 40 40 ASP H H 40 8.770 8.770 8.294 0.476 18531
3321 1 13 . 1 1 41 41 GLY N N 41 107.100 107.100 109.807 -2.707 18531
3322 1 13 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.003 0.397 18531
3323 1 13 . 1 1 41 41 GLY H H 41 7.910 7.910 8.080 -0.170 18531
3324 1 13 . 1 1 42 42 VAL N N 42 120.300 120.300 121.953 -1.653 18531
3325 1 13 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.364 0.016 18531
3326 1 13 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.596 1.504 18531
3327 1 13 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.873 0.527 18531
3328 1 13 . 1 1 42 42 VAL H H 42 8.250 8.250 7.670 0.580 18531
3329 1 13 . 1 1 43 43 TRP N N 43 130.700 130.700 129.582 1.118 18531
3330 1 13 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.891 0.469 18531
3331 1 13 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.527 1.073 18531
3332 1 13 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.463 -0.263 18531
3333 1 13 . 1 1 43 43 TRP H H 43 9.360 9.360 8.588 0.772 18531
3334 1 13 . 1 1 44 44 THR N N 44 114.500 114.500 119.393 -4.893 18531
3335 1 13 . 1 1 44 44 THR HA H 44 4.830 4.830 4.732 0.098 18531
3336 1 13 . 1 1 44 44 THR CA C 44 60.300 60.300 61.793 -1.493 18531
3337 1 13 . 1 1 44 44 THR CB C 44 72.100 72.100 70.246 1.854 18531
3338 1 13 . 1 1 44 44 THR H H 44 9.400 9.400 8.693 0.707 18531
3339 1 13 . 1 1 45 45 TYR N N 45 120.100 120.100 125.660 -5.560 18531
3340 1 13 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.984 -0.014 18531
3341 1 13 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.308 -0.308 18531
3342 1 13 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.273 1.327 18531
3343 1 13 . 1 1 45 45 TYR H H 45 8.580 8.580 8.409 0.171 18531
3344 1 13 . 1 1 46 46 ASP N N 46 128.300 128.300 123.788 4.512 18531
3345 1 13 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.502 0.078 18531
3346 1 13 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.977 -0.077 18531
3347 1 13 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.748 -1.648 18531
3348 1 13 . 1 1 46 46 ASP H H 46 7.580 7.580 8.614 -1.034 18531
3349 1 13 . 1 1 47 47 ASP N N 47 124.800 124.800 123.666 1.134 18531
3350 1 13 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.537 -0.427 18531
3351 1 13 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.549 -0.049 18531
3352 1 13 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.045 1.055 18531
3353 1 13 . 1 1 47 47 ASP H H 47 8.590 8.590 8.448 0.142 18531
3354 1 13 . 1 1 48 48 ALA N N 48 119.700 119.700 122.484 -2.784 18531
3355 1 13 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.164 -0.074 18531
3356 1 13 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.758 1.242 18531
3357 1 13 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.886 -0.586 18531
3358 1 13 . 1 1 48 48 ALA H H 48 8.340 8.340 8.258 0.082 18531
3359 1 13 . 1 1 49 49 THR N N 49 103.200 103.200 111.783 -8.583 18531
3360 1 13 . 1 1 49 49 THR HA H 49 4.390 4.390 4.435 -0.045 18531
3361 1 13 . 1 1 49 49 THR CA C 49 60.200 60.200 60.984 -0.784 18531
3362 1 13 . 1 1 49 49 THR CB C 49 70.000 70.000 69.769 0.231 18531
3363 1 13 . 1 1 49 49 THR H H 49 7.000 7.000 7.957 -0.957 18531
3364 1 13 . 1 1 50 50 LYS N N 50 123.100 123.100 122.178 0.922 18531
3365 1 13 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.838 -0.648 18531
3366 1 13 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.617 0.983 18531
3367 1 13 . 1 1 50 50 LYS CB C 50 28.600 28.600 32.861 -4.261 18531
3368 1 13 . 1 1 50 50 LYS H H 50 7.860 7.860 8.401 -0.541 18531
3369 1 13 . 1 1 51 51 THR N N 51 111.200 111.200 116.915 -5.715 18531
3370 1 13 . 1 1 51 51 THR HA H 51 5.490 5.490 4.852 0.638 18531
3371 1 13 . 1 1 51 51 THR CA C 51 62.300 62.300 61.640 0.660 18531
3372 1 13 . 1 1 51 51 THR CB C 51 72.100 72.100 69.276 2.824 18531
3373 1 13 . 1 1 51 51 THR H H 51 7.390 7.390 7.439 -0.049 18531
3374 1 13 . 1 1 52 52 PHE N N 52 131.000 131.000 127.099 3.901 18531
3375 1 13 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.104 0.526 18531
3376 1 13 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.753 2.547 18531
3377 1 13 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.467 2.133 18531
3378 1 13 . 1 1 52 52 PHE H H 52 10.390 10.390 8.003 2.387 18531
3379 1 13 . 1 1 53 53 THR N N 53 117.400 117.400 115.753 1.647 18531
3380 1 13 . 1 1 53 53 THR HA H 53 5.270 5.270 4.944 0.326 18531
3381 1 13 . 1 1 53 53 THR CA C 53 61.200 61.200 61.846 -0.646 18531
3382 1 13 . 1 1 53 53 THR CB C 53 71.000 71.000 71.896 -0.896 18531
3383 1 13 . 1 1 53 53 THR H H 53 9.180 9.180 8.484 0.696 18531
3384 1 13 . 1 1 54 54 VAL N N 54 123.000 123.000 126.056 -3.056 18531
3385 1 13 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.685 -0.225 18531
3386 1 13 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.759 -0.659 18531
3387 1 13 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.040 -1.740 18531
3388 1 13 . 1 1 54 54 VAL H H 54 8.280 8.280 8.712 -0.432 18531
3389 1 13 . 1 1 55 55 THR N N 55 123.900 123.900 125.109 -1.209 18531
3390 1 13 . 1 1 55 55 THR HA H 55 4.700 4.700 4.818 -0.118 18531
3391 1 13 . 1 1 55 55 THR CA C 55 61.200 61.200 61.236 -0.036 18531
3392 1 13 . 1 1 55 55 THR CB C 55 70.700 70.700 69.438 1.262 18531
3393 1 13 . 1 1 55 55 THR H H 55 8.320 8.320 8.146 0.174 18531
3394 1 14 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.972 0.078 18531
3395 1 14 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.192 1.408 18531
3396 1 14 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.871 0.829 18531
3397 1 14 . 1 1 2 2 GLN H H 2 8.410 8.410 8.033 0.377 18531
3398 1 14 . 1 1 3 3 TYR N N 3 124.000 124.000 123.347 0.653 18531
3399 1 14 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.958 0.402 18531
3400 1 14 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.121 -0.021 18531
3401 1 14 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.067 2.533 18531
3402 1 14 . 1 1 3 3 TYR H H 3 9.070 9.070 8.319 0.751 18531
3403 1 14 . 1 1 4 4 LYS N N 4 122.500 122.500 122.859 -0.359 18531
3404 1 14 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.743 0.477 18531
3405 1 14 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.771 0.229 18531
3406 1 14 . 1 1 4 4 LYS CB C 4 36.000 36.000 32.932 3.068 18531
3407 1 14 . 1 1 4 4 LYS H H 4 9.100 9.100 9.229 -0.129 18531
3408 1 14 . 1 1 5 5 LEU N N 5 126.400 126.400 129.974 -3.574 18531
3409 1 14 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.172 -0.202 18531
3410 1 14 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.861 -1.061 18531
3411 1 14 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.473 -1.873 18531
3412 1 14 . 1 1 5 5 LEU H H 5 8.620 8.620 8.033 0.587 18531
3413 1 14 . 1 1 6 6 VAL N N 6 127.000 127.000 126.941 0.059 18531
3414 1 14 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.367 -0.207 18531
3415 1 14 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.467 1.833 18531
3416 1 14 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.619 -1.919 18531
3417 1 14 . 1 1 6 6 VAL H H 6 9.190 9.190 9.177 0.013 18531
3418 1 14 . 1 1 7 7 ILE N N 7 125.400 125.400 125.973 -0.573 18531
3419 1 14 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.291 -0.201 18531
3420 1 14 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.946 -0.246 18531
3421 1 14 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.691 0.309 18531
3422 1 14 . 1 1 7 7 ILE H H 7 8.800 8.800 9.166 -0.366 18531
3423 1 14 . 1 1 8 8 ASN N N 8 128.900 128.900 126.958 1.942 18531
3424 1 14 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.111 0.169 18531
3425 1 14 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.209 -1.409 18531
3426 1 14 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.630 -0.530 18531
3427 1 14 . 1 1 8 8 ASN H H 8 8.990 8.990 8.431 0.559 18531
3428 1 14 . 1 1 9 9 GLY N N 9 110.200 110.200 109.447 0.753 18531
3429 1 14 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.976 0.724 18531
3430 1 14 . 1 1 9 9 GLY H H 9 7.920 7.920 8.488 -0.568 18531
3431 1 14 . 1 1 10 10 LYS N N 10 120.700 120.700 119.993 0.707 18531
3432 1 14 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.136 -0.076 18531
3433 1 14 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.953 0.247 18531
3434 1 14 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.693 0.207 18531
3435 1 14 . 1 1 10 10 LYS H H 10 9.520 9.520 8.494 1.026 18531
3436 1 14 . 1 1 11 11 THR N N 11 108.900 108.900 111.296 -2.396 18531
3437 1 14 . 1 1 11 11 THR HA H 11 4.360 4.360 4.439 -0.079 18531
3438 1 14 . 1 1 11 11 THR CA C 11 62.000 62.000 61.905 0.095 18531
3439 1 14 . 1 1 11 11 THR CB C 11 69.800 69.800 69.446 0.354 18531
3440 1 14 . 1 1 11 11 THR H H 11 8.790 8.790 8.238 0.552 18531
3441 1 14 . 1 1 12 12 LEU N N 12 125.700 125.700 124.156 1.544 18531
3442 1 14 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.662 -0.222 18531
3443 1 14 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.579 0.421 18531
3444 1 14 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.662 -0.362 18531
3445 1 14 . 1 1 12 12 LEU H H 12 7.580 7.580 7.429 0.151 18531
3446 1 14 . 1 1 13 13 LYS N N 13 123.500 123.500 125.772 -2.272 18531
3447 1 14 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.432 -0.312 18531
3448 1 14 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.150 -1.250 18531
3449 1 14 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.144 -0.344 18531
3450 1 14 . 1 1 13 13 LYS H H 13 8.140 8.140 8.494 -0.354 18531
3451 1 14 . 1 1 14 14 GLY N N 14 109.100 109.100 110.751 -1.651 18531
3452 1 14 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.582 -0.382 18531
3453 1 14 . 1 1 14 14 GLY H H 14 8.340 8.340 8.717 -0.377 18531
3454 1 14 . 1 1 15 15 GLU N N 15 118.200 118.200 118.565 -0.365 18531
3455 1 14 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.166 0.434 18531
3456 1 14 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.685 -1.185 18531
3457 1 14 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.489 0.311 18531
3458 1 14 . 1 1 15 15 GLU H H 15 8.390 8.390 8.483 -0.093 18531
3459 1 14 . 1 1 16 16 THR N N 16 115.600 115.600 113.890 1.710 18531
3460 1 14 . 1 1 16 16 THR HA H 16 4.730 4.730 4.709 0.021 18531
3461 1 14 . 1 1 16 16 THR CA C 16 60.600 60.600 62.070 -1.470 18531
3462 1 14 . 1 1 16 16 THR CB C 16 69.500 69.500 70.112 -0.612 18531
3463 1 14 . 1 1 16 16 THR H H 16 8.820 8.820 8.501 0.319 18531
3464 1 14 . 1 1 17 17 THR N N 17 111.800 111.800 113.868 -2.068 18531
3465 1 14 . 1 1 17 17 THR HA H 17 5.790 5.790 5.180 0.610 18531
3466 1 14 . 1 1 17 17 THR CA C 17 59.800 59.800 60.805 -1.005 18531
3467 1 14 . 1 1 17 17 THR CB C 17 73.100 73.100 72.004 1.097 18531
3468 1 14 . 1 1 17 17 THR H H 17 8.140 8.140 8.277 -0.137 18531
3469 1 14 . 1 1 18 18 THR N N 18 115.100 115.100 113.599 1.501 18531
3470 1 14 . 1 1 18 18 THR HA H 18 4.640 4.640 4.566 0.074 18531
3471 1 14 . 1 1 18 18 THR CA C 18 61.900 61.900 61.479 0.421 18531
3472 1 14 . 1 1 18 18 THR CB C 18 70.000 70.000 69.083 0.917 18531
3473 1 14 . 1 1 18 18 THR H H 18 8.930 8.930 8.608 0.322 18531
3474 1 14 . 1 1 19 19 LYS N N 19 124.300 124.300 120.241 4.059 18531
3475 1 14 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.140 0.190 18531
3476 1 14 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.876 -0.876 18531
3477 1 14 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.097 -0.297 18531
3478 1 14 . 1 1 19 19 LYS H H 19 7.950 7.950 8.221 -0.271 18531
3479 1 14 . 1 1 20 20 ALA N N 20 124.600 124.600 127.699 -3.099 18531
3480 1 14 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.699 0.081 18531
3481 1 14 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.494 -0.594 18531
3482 1 14 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.382 2.418 18531
3483 1 14 . 1 1 20 20 ALA H H 20 9.110 9.110 8.659 0.451 18531
3484 1 14 . 1 1 21 21 VAL N N 21 115.300 115.300 119.532 -4.232 18531
3485 1 14 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.148 -0.038 18531
3486 1 14 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.299 0.001 18531
3487 1 14 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.537 0.663 18531
3488 1 14 . 1 1 21 21 VAL H H 21 8.480 8.480 8.220 0.260 18531
3489 1 14 . 1 1 22 22 ASP N N 22 115.200 115.200 117.432 -2.232 18531
3490 1 14 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.695 0.015 18531
3491 1 14 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.655 -1.255 18531
3492 1 14 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.788 -0.588 18531
3493 1 14 . 1 1 22 22 ASP H H 22 7.310 7.310 7.469 -0.159 18531
3494 1 14 . 1 1 23 23 ALA N N 23 121.000 121.000 126.885 -5.885 18531
3495 1 14 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.631 -0.291 18531
3496 1 14 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.108 -0.208 18531
3497 1 14 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.838 -1.338 18531
3498 1 14 . 1 1 23 23 ALA H H 23 8.370 8.370 8.687 -0.317 18531
3499 1 14 . 1 1 24 24 GLU N N 24 118.900 118.900 118.207 0.693 18531
3500 1 14 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.864 -0.004 18531
3501 1 14 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.506 0.194 18531
3502 1 14 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.660 0.440 18531
3503 1 14 . 1 1 24 24 GLU H H 24 8.410 8.410 8.746 -0.336 18531
3504 1 14 . 1 1 25 25 THR N N 25 117.400 117.400 114.294 3.106 18531
3505 1 14 . 1 1 25 25 THR HA H 25 3.670 3.670 3.999 -0.329 18531
3506 1 14 . 1 1 25 25 THR CA C 25 66.800 66.800 64.910 1.889 18531
3507 1 14 . 1 1 25 25 THR CB C 25 68.000 68.000 68.442 -0.442 18531
3508 1 14 . 1 1 25 25 THR H H 25 8.380 8.380 8.074 0.306 18531
3509 1 14 . 1 1 26 26 ALA N N 26 125.100 125.100 121.812 3.288 18531
3510 1 14 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.868 -0.678 18531
3511 1 14 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.812 1.188 18531
3512 1 14 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.861 -0.561 18531
3513 1 14 . 1 1 26 26 ALA H H 26 7.220 7.220 7.618 -0.398 18531
3514 1 14 . 1 1 27 27 GLU N N 27 117.400 117.400 119.795 -2.395 18531
3515 1 14 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.746 -1.156 18531
3516 1 14 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.730 -0.030 18531
3517 1 14 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.186 0.014 18531
3518 1 14 . 1 1 27 27 GLU H H 27 8.370 8.370 7.858 0.512 18531
3519 1 14 . 1 1 28 28 LYS N N 28 116.300 116.300 118.772 -2.472 18531
3520 1 14 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.806 -0.136 18531
3521 1 14 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.748 -0.148 18531
3522 1 14 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.025 0.175 18531
3523 1 14 . 1 1 28 28 LYS H H 28 7.170 7.170 7.434 -0.264 18531
3524 1 14 . 1 1 29 29 ALA N N 29 122.000 122.000 121.771 0.229 18531
3525 1 14 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.976 0.114 18531
3526 1 14 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.707 -0.007 18531
3527 1 14 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.135 -0.635 18531
3528 1 14 . 1 1 29 29 ALA H H 29 7.200 7.200 7.609 -0.409 18531
3529 1 14 . 1 1 30 30 PHE N N 30 119.600 119.600 117.155 2.445 18531
3530 1 14 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.290 0.490 18531
3531 1 14 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.059 -3.459 18531
3532 1 14 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.515 -1.115 18531
3533 1 14 . 1 1 30 30 PHE H H 30 8.610 8.610 7.868 0.742 18531
3534 1 14 . 1 1 31 31 LYS N N 31 122.800 122.800 119.356 3.444 18531
3535 1 14 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.893 0.197 18531
3536 1 14 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.255 0.445 18531
3537 1 14 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.064 -0.464 18531
3538 1 14 . 1 1 31 31 LYS H H 31 9.030 9.030 8.252 0.778 18531
3539 1 14 . 1 1 32 32 GLN N N 32 119.600 119.600 119.838 -0.238 18531
3540 1 14 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.972 0.058 18531
3541 1 14 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.375 -0.675 18531
3542 1 14 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.434 -0.334 18531
3543 1 14 . 1 1 32 32 GLN H H 32 7.510 7.510 8.605 -1.095 18531
3544 1 14 . 1 1 33 33 TYR N N 33 120.400 120.400 119.894 0.506 18531
3545 1 14 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.537 -0.287 18531
3546 1 14 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.892 0.908 18531
3547 1 14 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.313 0.387 18531
3548 1 14 . 1 1 33 33 TYR H H 33 8.080 8.080 7.787 0.293 18531
3549 1 14 . 1 1 34 34 ALA N N 34 122.300 122.300 121.418 0.882 18531
3550 1 14 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.048 -0.268 18531
3551 1 14 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.338 0.762 18531
3552 1 14 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.502 -0.802 18531
3553 1 14 . 1 1 34 34 ALA H H 34 9.210 9.210 7.684 1.526 18531
3554 1 14 . 1 1 35 35 ASN N N 35 117.700 117.700 117.400 0.300 18531
3555 1 14 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.489 -0.029 18531
3556 1 14 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.698 1.302 18531
3557 1 14 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.991 1.009 18531
3558 1 14 . 1 1 35 35 ASN H H 35 8.390 8.390 8.000 0.390 18531
3559 1 14 . 1 1 36 36 ASP N N 36 121.100 121.100 121.217 -0.117 18531
3560 1 14 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.379 -0.019 18531
3561 1 14 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.883 -0.183 18531
3562 1 14 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.180 -0.180 18531
3563 1 14 . 1 1 36 36 ASP H H 36 8.830 8.830 8.220 0.610 18531
3564 1 14 . 1 1 37 37 ASN N N 37 115.200 115.200 115.110 0.090 18531
3565 1 14 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.838 -0.228 18531
3566 1 14 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.451 1.249 18531
3567 1 14 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.633 1.367 18531
3568 1 14 . 1 1 37 37 ASN H H 37 7.390 7.390 7.428 -0.038 18531
3569 1 14 . 1 1 38 38 GLY N N 38 108.200 108.200 108.691 -0.491 18531
3570 1 14 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.158 0.242 18531
3571 1 14 . 1 1 38 38 GLY H H 38 7.800 7.800 8.165 -0.365 18531
3572 1 14 . 1 1 39 39 VAL N N 39 120.800 120.800 120.409 0.391 18531
3573 1 14 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.142 -0.002 18531
3574 1 14 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.810 -0.110 18531
3575 1 14 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.728 0.572 18531
3576 1 14 . 1 1 39 39 VAL H H 39 8.120 8.120 8.083 0.037 18531
3577 1 14 . 1 1 40 40 ASP N N 40 128.000 128.000 128.124 -0.124 18531
3578 1 14 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.866 0.024 18531
3579 1 14 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.908 -0.108 18531
3580 1 14 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.453 -0.353 18531
3581 1 14 . 1 1 40 40 ASP H H 40 8.770 8.770 8.588 0.182 18531
3582 1 14 . 1 1 41 41 GLY N N 41 107.100 107.100 109.536 -2.436 18531
3583 1 14 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.739 0.661 18531
3584 1 14 . 1 1 41 41 GLY H H 41 7.910 7.910 8.038 -0.128 18531
3585 1 14 . 1 1 42 42 VAL N N 42 120.300 120.300 117.816 2.484 18531
3586 1 14 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.569 -0.189 18531
3587 1 14 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.934 1.166 18531
3588 1 14 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.371 0.029 18531
3589 1 14 . 1 1 42 42 VAL H H 42 8.250 8.250 7.516 0.734 18531
3590 1 14 . 1 1 43 43 TRP N N 43 130.700 130.700 127.003 3.697 18531
3591 1 14 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.325 0.035 18531
3592 1 14 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.202 1.398 18531
3593 1 14 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.736 -0.536 18531
3594 1 14 . 1 1 43 43 TRP H H 43 9.360 9.360 8.628 0.732 18531
3595 1 14 . 1 1 44 44 THR N N 44 114.500 114.500 118.079 -3.579 18531
3596 1 14 . 1 1 44 44 THR HA H 44 4.830 4.830 4.750 0.080 18531
3597 1 14 . 1 1 44 44 THR CA C 44 60.300 60.300 61.484 -1.184 18531
3598 1 14 . 1 1 44 44 THR CB C 44 72.100 72.100 70.249 1.851 18531
3599 1 14 . 1 1 44 44 THR H H 44 9.400 9.400 8.567 0.833 18531
3600 1 14 . 1 1 45 45 TYR N N 45 120.100 120.100 125.258 -5.158 18531
3601 1 14 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.946 0.024 18531
3602 1 14 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.403 1.597 18531
3603 1 14 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.084 1.516 18531
3604 1 14 . 1 1 45 45 TYR H H 45 8.580 8.580 8.284 0.296 18531
3605 1 14 . 1 1 46 46 ASP N N 46 128.300 128.300 123.723 4.577 18531
3606 1 14 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.394 0.186 18531
3607 1 14 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.964 -0.064 18531
3608 1 14 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.520 -0.420 18531
3609 1 14 . 1 1 46 46 ASP H H 46 7.580 7.580 8.391 -0.811 18531
3610 1 14 . 1 1 47 47 ASP N N 47 124.800 124.800 125.954 -1.154 18531
3611 1 14 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.310 -0.200 18531
3612 1 14 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.475 0.025 18531
3613 1 14 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.139 0.961 18531
3614 1 14 . 1 1 47 47 ASP H H 47 8.590 8.590 8.483 0.107 18531
3615 1 14 . 1 1 48 48 ALA N N 48 119.700 119.700 120.507 -0.807 18531
3616 1 14 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.055 0.035 18531
3617 1 14 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.102 0.898 18531
3618 1 14 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.102 -0.802 18531
3619 1 14 . 1 1 48 48 ALA H H 48 8.340 8.340 7.901 0.439 18531
3620 1 14 . 1 1 49 49 THR N N 49 103.200 103.200 110.019 -6.819 18531
3621 1 14 . 1 1 49 49 THR HA H 49 4.390 4.390 4.462 -0.072 18531
3622 1 14 . 1 1 49 49 THR CA C 49 60.200 60.200 60.633 -0.433 18531
3623 1 14 . 1 1 49 49 THR CB C 49 70.000 70.000 70.193 -0.193 18531
3624 1 14 . 1 1 49 49 THR H H 49 7.000 7.000 7.415 -0.415 18531
3625 1 14 . 1 1 50 50 LYS N N 50 123.100 123.100 118.990 4.110 18531
3626 1 14 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.949 -0.759 18531
3627 1 14 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.831 0.769 18531
3628 1 14 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.253 -4.653 18531
3629 1 14 . 1 1 50 50 LYS H H 50 7.860 7.860 8.403 -0.543 18531
3630 1 14 . 1 1 51 51 THR N N 51 111.200 111.200 117.451 -6.251 18531
3631 1 14 . 1 1 51 51 THR HA H 51 5.490 5.490 5.313 0.177 18531
3632 1 14 . 1 1 51 51 THR CA C 51 62.300 62.300 62.314 -0.014 18531
3633 1 14 . 1 1 51 51 THR CB C 51 72.100 72.100 70.393 1.707 18531
3634 1 14 . 1 1 51 51 THR H H 51 7.390 7.390 7.959 -0.569 18531
3635 1 14 . 1 1 52 52 PHE N N 52 131.000 131.000 125.821 5.179 18531
3636 1 14 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.131 0.499 18531
3637 1 14 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.080 1.220 18531
3638 1 14 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.649 -0.049 18531
3639 1 14 . 1 1 52 52 PHE H H 52 10.390 10.390 9.372 1.018 18531
3640 1 14 . 1 1 53 53 THR N N 53 117.400 117.400 119.196 -1.796 18531
3641 1 14 . 1 1 53 53 THR HA H 53 5.270 5.270 4.893 0.377 18531
3642 1 14 . 1 1 53 53 THR CA C 53 61.200 61.200 61.778 -0.578 18531
3643 1 14 . 1 1 53 53 THR CB C 53 71.000 71.000 71.519 -0.519 18531
3644 1 14 . 1 1 53 53 THR H H 53 9.180 9.180 8.428 0.752 18531
3645 1 14 . 1 1 54 54 VAL N N 54 123.000 123.000 125.909 -2.909 18531
3646 1 14 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.503 -0.043 18531
3647 1 14 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.626 -1.526 18531
3648 1 14 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.045 -1.745 18531
3649 1 14 . 1 1 54 54 VAL H H 54 8.280 8.280 8.001 0.279 18531
3650 1 14 . 1 1 55 55 THR N N 55 123.900 123.900 125.246 -1.346 18531
3651 1 14 . 1 1 55 55 THR HA H 55 4.700 4.700 5.121 -0.421 18531
3652 1 14 . 1 1 55 55 THR CA C 55 61.200 61.200 61.330 -0.130 18531
3653 1 14 . 1 1 55 55 THR CB C 55 70.700 70.700 70.818 -0.118 18531
3654 1 14 . 1 1 55 55 THR H H 55 8.320 8.320 8.024 0.296 18531
3655 1 15 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.990 0.060 18531
3656 1 15 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.196 1.404 18531
3657 1 15 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.233 0.467 18531
3658 1 15 . 1 1 2 2 GLN H H 2 8.410 8.410 8.229 0.181 18531
3659 1 15 . 1 1 3 3 TYR N N 3 124.000 124.000 122.798 1.202 18531
3660 1 15 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.744 0.616 18531
3661 1 15 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.703 1.397 18531
3662 1 15 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.726 2.874 18531
3663 1 15 . 1 1 3 3 TYR H H 3 9.070 9.070 7.722 1.348 18531
3664 1 15 . 1 1 4 4 LYS N N 4 122.500 122.500 119.587 2.913 18531
3665 1 15 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.377 -0.157 18531
3666 1 15 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.075 0.925 18531
3667 1 15 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.592 -0.592 18531
3668 1 15 . 1 1 4 4 LYS H H 4 9.100 9.100 8.675 0.425 18531
3669 1 15 . 1 1 5 5 LEU N N 5 126.400 126.400 125.359 1.041 18531
3670 1 15 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.143 -0.173 18531
3671 1 15 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.128 -1.328 18531
3672 1 15 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.814 -2.214 18531
3673 1 15 . 1 1 5 5 LEU H H 5 8.620 8.620 8.289 0.331 18531
3674 1 15 . 1 1 6 6 VAL N N 6 127.000 127.000 127.149 -0.149 18531
3675 1 15 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.717 -0.557 18531
3676 1 15 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.289 1.011 18531
3677 1 15 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.087 -1.387 18531
3678 1 15 . 1 1 6 6 VAL H H 6 9.190 9.190 9.221 -0.031 18531
3679 1 15 . 1 1 7 7 ILE N N 7 125.400 125.400 126.222 -0.822 18531
3680 1 15 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.367 -0.277 18531
3681 1 15 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.514 0.186 18531
3682 1 15 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.442 0.558 18531
3683 1 15 . 1 1 7 7 ILE H H 7 8.800 8.800 9.155 -0.355 18531
3684 1 15 . 1 1 8 8 ASN N N 8 128.900 128.900 126.595 2.305 18531
3685 1 15 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.884 0.396 18531
3686 1 15 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.737 -1.937 18531
3687 1 15 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.167 -0.068 18531
3688 1 15 . 1 1 8 8 ASN H H 8 8.990 8.990 8.450 0.540 18531
3689 1 15 . 1 1 9 9 GLY N N 9 110.200 110.200 108.431 1.769 18531
3690 1 15 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.931 -0.231 18531
3691 1 15 . 1 1 9 9 GLY H H 9 7.920 7.920 7.596 0.324 18531
3692 1 15 . 1 1 10 10 LYS N N 10 120.700 120.700 119.002 1.698 18531
3693 1 15 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.308 -0.248 18531
3694 1 15 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.609 0.591 18531
3695 1 15 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.121 -0.221 18531
3696 1 15 . 1 1 10 10 LYS H H 10 9.520 9.520 8.769 0.751 18531
3697 1 15 . 1 1 11 11 THR N N 11 108.900 108.900 110.407 -1.507 18531
3698 1 15 . 1 1 11 11 THR HA H 11 4.360 4.360 4.332 0.028 18531
3699 1 15 . 1 1 11 11 THR CA C 11 62.000 62.000 62.823 -0.823 18531
3700 1 15 . 1 1 11 11 THR CB C 11 69.800 69.800 69.434 0.366 18531
3701 1 15 . 1 1 11 11 THR H H 11 8.790 8.790 7.792 0.998 18531
3702 1 15 . 1 1 12 12 LEU N N 12 125.700 125.700 125.026 0.674 18531
3703 1 15 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.363 0.077 18531
3704 1 15 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.077 -0.077 18531
3705 1 15 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.442 0.858 18531
3706 1 15 . 1 1 12 12 LEU H H 12 7.580 7.580 8.131 -0.551 18531
3707 1 15 . 1 1 13 13 LYS N N 13 123.500 123.500 123.799 -0.299 18531
3708 1 15 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.425 -0.305 18531
3709 1 15 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.765 -0.865 18531
3710 1 15 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.983 -1.183 18531
3711 1 15 . 1 1 13 13 LYS H H 13 8.140 8.140 8.268 -0.128 18531
3712 1 15 . 1 1 14 14 GLY N N 14 109.100 109.100 109.827 -0.727 18531
3713 1 15 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.514 -0.314 18531
3714 1 15 . 1 1 14 14 GLY H H 14 8.340 8.340 8.064 0.276 18531
3715 1 15 . 1 1 15 15 GLU N N 15 118.200 118.200 118.845 -0.645 18531
3716 1 15 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.623 -0.023 18531
3717 1 15 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.560 -0.060 18531
3718 1 15 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.897 -0.097 18531
3719 1 15 . 1 1 15 15 GLU H H 15 8.390 8.390 8.526 -0.136 18531
3720 1 15 . 1 1 16 16 THR N N 16 115.600 115.600 114.133 1.467 18531
3721 1 15 . 1 1 16 16 THR HA H 16 4.730 4.730 4.706 0.024 18531
3722 1 15 . 1 1 16 16 THR CA C 16 60.600 60.600 60.358 0.242 18531
3723 1 15 . 1 1 16 16 THR CB C 16 69.500 69.500 69.877 -0.377 18531
3724 1 15 . 1 1 16 16 THR H H 16 8.820 8.820 8.420 0.400 18531
3725 1 15 . 1 1 17 17 THR N N 17 111.800 111.800 113.516 -1.716 18531
3726 1 15 . 1 1 17 17 THR HA H 17 5.790 5.790 5.718 0.072 18531
3727 1 15 . 1 1 17 17 THR CA C 17 59.800 59.800 60.706 -0.906 18531
3728 1 15 . 1 1 17 17 THR CB C 17 73.100 73.100 72.286 0.814 18531
3729 1 15 . 1 1 17 17 THR H H 17 8.140 8.140 8.222 -0.082 18531
3730 1 15 . 1 1 18 18 THR N N 18 115.100 115.100 113.904 1.196 18531
3731 1 15 . 1 1 18 18 THR HA H 18 4.640 4.640 4.501 0.139 18531
3732 1 15 . 1 1 18 18 THR CA C 18 61.900 61.900 61.296 0.604 18531
3733 1 15 . 1 1 18 18 THR CB C 18 70.000 70.000 69.160 0.840 18531
3734 1 15 . 1 1 18 18 THR H H 18 8.930 8.930 8.262 0.668 18531
3735 1 15 . 1 1 19 19 LYS N N 19 124.300 124.300 120.376 3.924 18531
3736 1 15 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.815 0.515 18531
3737 1 15 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.729 -0.729 18531
3738 1 15 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.029 -0.229 18531
3739 1 15 . 1 1 19 19 LYS H H 19 7.950 7.950 8.217 -0.267 18531
3740 1 15 . 1 1 20 20 ALA N N 20 124.600 124.600 126.647 -2.047 18531
3741 1 15 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.614 0.166 18531
3742 1 15 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.618 -0.718 18531
3743 1 15 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.770 3.030 18531
3744 1 15 . 1 1 20 20 ALA H H 20 9.110 9.110 8.024 1.086 18531
3745 1 15 . 1 1 21 21 VAL N N 21 115.300 115.300 115.605 -0.305 18531
3746 1 15 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.153 -0.043 18531
3747 1 15 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.755 0.545 18531
3748 1 15 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.651 0.549 18531
3749 1 15 . 1 1 21 21 VAL H H 21 8.480 8.480 8.159 0.321 18531
3750 1 15 . 1 1 22 22 ASP N N 22 115.200 115.200 114.210 0.990 18531
3751 1 15 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.675 0.035 18531
3752 1 15 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.281 -0.881 18531
3753 1 15 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.754 0.446 18531
3754 1 15 . 1 1 22 22 ASP H H 22 7.310 7.310 7.668 -0.358 18531
3755 1 15 . 1 1 23 23 ALA N N 23 121.000 121.000 122.838 -1.838 18531
3756 1 15 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.681 -0.341 18531
3757 1 15 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.820 0.080 18531
3758 1 15 . 1 1 23 23 ALA CB C 23 17.500 17.500 17.966 -0.466 18531
3759 1 15 . 1 1 23 23 ALA H H 23 8.370 8.370 8.664 -0.294 18531
3760 1 15 . 1 1 24 24 GLU N N 24 118.900 118.900 118.387 0.513 18531
3761 1 15 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.857 0.003 18531
3762 1 15 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.344 0.356 18531
3763 1 15 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.692 0.408 18531
3764 1 15 . 1 1 24 24 GLU H H 24 8.410 8.410 7.980 0.430 18531
3765 1 15 . 1 1 25 25 THR N N 25 117.400 117.400 116.051 1.349 18531
3766 1 15 . 1 1 25 25 THR HA H 25 3.670 3.670 3.982 -0.312 18531
3767 1 15 . 1 1 25 25 THR CA C 25 66.800 66.800 66.279 0.521 18531
3768 1 15 . 1 1 25 25 THR CB C 25 68.000 68.000 68.580 -0.580 18531
3769 1 15 . 1 1 25 25 THR H H 25 8.380 8.380 8.864 -0.484 18531
3770 1 15 . 1 1 26 26 ALA N N 26 125.100 125.100 122.750 2.350 18531
3771 1 15 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.099 -0.909 18531
3772 1 15 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.452 0.548 18531
3773 1 15 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.537 -1.237 18531
3774 1 15 . 1 1 26 26 ALA H H 26 7.220 7.220 8.210 -0.990 18531
3775 1 15 . 1 1 27 27 GLU N N 27 117.400 117.400 120.001 -2.601 18531
3776 1 15 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.946 -1.356 18531
3777 1 15 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.751 -0.051 18531
3778 1 15 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.229 -0.029 18531
3779 1 15 . 1 1 27 27 GLU H H 27 8.370 8.370 8.046 0.324 18531
3780 1 15 . 1 1 28 28 LYS N N 28 116.300 116.300 119.143 -2.843 18531
3781 1 15 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.809 -0.139 18531
3782 1 15 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.611 -0.011 18531
3783 1 15 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.234 -0.034 18531
3784 1 15 . 1 1 28 28 LYS H H 28 7.170 7.170 7.515 -0.345 18531
3785 1 15 . 1 1 29 29 ALA N N 29 122.000 122.000 121.449 0.551 18531
3786 1 15 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.087 0.003 18531
3787 1 15 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.813 -0.113 18531
3788 1 15 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.111 -0.611 18531
3789 1 15 . 1 1 29 29 ALA H H 29 7.200 7.200 7.467 -0.267 18531
3790 1 15 . 1 1 30 30 PHE N N 30 119.600 119.600 117.286 2.314 18531
3791 1 15 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.472 0.308 18531
3792 1 15 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.248 -3.648 18531
3793 1 15 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.987 -1.587 18531
3794 1 15 . 1 1 30 30 PHE H H 30 8.610 8.610 8.010 0.600 18531
3795 1 15 . 1 1 31 31 LYS N N 31 122.800 122.800 119.427 3.373 18531
3796 1 15 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.563 0.527 18531
3797 1 15 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.836 0.864 18531
3798 1 15 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.895 -0.295 18531
3799 1 15 . 1 1 31 31 LYS H H 31 9.030 9.030 8.210 0.820 18531
3800 1 15 . 1 1 32 32 GLN N N 32 119.600 119.600 119.674 -0.074 18531
3801 1 15 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.970 0.060 18531
3802 1 15 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.315 -0.615 18531
3803 1 15 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.678 -0.578 18531
3804 1 15 . 1 1 32 32 GLN H H 32 7.510 7.510 8.463 -0.953 18531
3805 1 15 . 1 1 33 33 TYR N N 33 120.400 120.400 119.820 0.580 18531
3806 1 15 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.377 -0.127 18531
3807 1 15 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.861 0.939 18531
3808 1 15 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.149 0.551 18531
3809 1 15 . 1 1 33 33 TYR H H 33 8.080 8.080 7.781 0.299 18531
3810 1 15 . 1 1 34 34 ALA N N 34 122.300 122.300 121.318 0.982 18531
3811 1 15 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.962 -0.182 18531
3812 1 15 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.180 0.920 18531
3813 1 15 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.414 -0.714 18531
3814 1 15 . 1 1 34 34 ALA H H 34 9.210 9.210 7.614 1.596 18531
3815 1 15 . 1 1 35 35 ASN N N 35 117.700 117.700 117.481 0.219 18531
3816 1 15 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.514 -0.054 18531
3817 1 15 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.846 1.154 18531
3818 1 15 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.059 0.941 18531
3819 1 15 . 1 1 35 35 ASN H H 35 8.390 8.390 8.037 0.353 18531
3820 1 15 . 1 1 36 36 ASP N N 36 121.100 121.100 121.197 -0.097 18531
3821 1 15 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.402 -0.042 18531
3822 1 15 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.095 -0.395 18531
3823 1 15 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.728 -0.728 18531
3824 1 15 . 1 1 36 36 ASP H H 36 8.830 8.830 8.208 0.622 18531
3825 1 15 . 1 1 37 37 ASN N N 37 115.200 115.200 114.999 0.201 18531
3826 1 15 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.804 -0.194 18531
3827 1 15 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.727 0.973 18531
3828 1 15 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.846 1.154 18531
3829 1 15 . 1 1 37 37 ASN H H 37 7.390 7.390 7.418 -0.028 18531
3830 1 15 . 1 1 38 38 GLY N N 38 108.200 108.200 109.388 -1.188 18531
3831 1 15 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.237 0.163 18531
3832 1 15 . 1 1 38 38 GLY H H 38 7.800 7.800 8.197 -0.397 18531
3833 1 15 . 1 1 39 39 VAL N N 39 120.800 120.800 119.352 1.448 18531
3834 1 15 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.159 -0.019 18531
3835 1 15 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.221 0.478 18531
3836 1 15 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.141 1.159 18531
3837 1 15 . 1 1 39 39 VAL H H 39 8.120 8.120 8.097 0.023 18531
3838 1 15 . 1 1 40 40 ASP N N 40 128.000 128.000 126.178 1.822 18531
3839 1 15 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.832 0.058 18531
3840 1 15 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.668 0.132 18531
3841 1 15 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.103 -1.003 18531
3842 1 15 . 1 1 40 40 ASP H H 40 8.770 8.770 8.173 0.597 18531
3843 1 15 . 1 1 41 41 GLY N N 41 107.100 107.100 107.220 -0.120 18531
3844 1 15 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.855 0.546 18531
3845 1 15 . 1 1 41 41 GLY H H 41 7.910 7.910 7.960 -0.050 18531
3846 1 15 . 1 1 42 42 VAL N N 42 120.300 120.300 117.745 2.555 18531
3847 1 15 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.479 -0.099 18531
3848 1 15 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.750 1.350 18531
3849 1 15 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.040 0.360 18531
3850 1 15 . 1 1 42 42 VAL H H 42 8.250 8.250 7.619 0.631 18531
3851 1 15 . 1 1 43 43 TRP N N 43 130.700 130.700 127.852 2.848 18531
3852 1 15 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.007 0.353 18531
3853 1 15 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.242 1.357 18531
3854 1 15 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.411 -0.211 18531
3855 1 15 . 1 1 43 43 TRP H H 43 9.360 9.360 8.379 0.981 18531
3856 1 15 . 1 1 44 44 THR N N 44 114.500 114.500 116.241 -1.741 18531
3857 1 15 . 1 1 44 44 THR HA H 44 4.830 4.830 4.723 0.107 18531
3858 1 15 . 1 1 44 44 THR CA C 44 60.300 60.300 60.985 -0.685 18531
3859 1 15 . 1 1 44 44 THR CB C 44 72.100 72.100 71.365 0.735 18531
3860 1 15 . 1 1 44 44 THR H H 44 9.400 9.400 8.624 0.776 18531
3861 1 15 . 1 1 45 45 TYR N N 45 120.100 120.100 123.340 -3.240 18531
3862 1 15 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.973 -0.003 18531
3863 1 15 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.733 -0.733 18531
3864 1 15 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.633 0.967 18531
3865 1 15 . 1 1 45 45 TYR H H 45 8.580 8.580 8.361 0.219 18531
3866 1 15 . 1 1 46 46 ASP N N 46 128.300 128.300 124.921 3.379 18531
3867 1 15 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.432 0.148 18531
3868 1 15 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.811 0.089 18531
3869 1 15 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.366 -1.266 18531
3870 1 15 . 1 1 46 46 ASP H H 46 7.580 7.580 8.330 -0.750 18531
3871 1 15 . 1 1 47 47 ASP N N 47 124.800 124.800 123.421 1.379 18531
3872 1 15 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.385 -0.275 18531
3873 1 15 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.519 -0.019 18531
3874 1 15 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.107 0.993 18531
3875 1 15 . 1 1 47 47 ASP H H 47 8.590 8.590 8.409 0.181 18531
3876 1 15 . 1 1 48 48 ALA N N 48 119.700 119.700 122.631 -2.931 18531
3877 1 15 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.128 -0.038 18531
3878 1 15 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.031 0.969 18531
3879 1 15 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.863 -0.563 18531
3880 1 15 . 1 1 48 48 ALA H H 48 8.340 8.340 8.333 0.007 18531
3881 1 15 . 1 1 49 49 THR N N 49 103.200 103.200 111.957 -8.757 18531
3882 1 15 . 1 1 49 49 THR HA H 49 4.390 4.390 4.385 0.005 18531
3883 1 15 . 1 1 49 49 THR CA C 49 60.200 60.200 61.250 -1.050 18531
3884 1 15 . 1 1 49 49 THR CB C 49 70.000 70.000 69.990 0.010 18531
3885 1 15 . 1 1 49 49 THR H H 49 7.000 7.000 8.031 -1.031 18531
3886 1 15 . 1 1 50 50 LYS N N 50 123.100 123.100 120.379 2.721 18531
3887 1 15 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.545 -0.355 18531
3888 1 15 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.541 1.059 18531
3889 1 15 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.205 -4.605 18531
3890 1 15 . 1 1 50 50 LYS H H 50 7.860 7.860 8.346 -0.486 18531
3891 1 15 . 1 1 51 51 THR N N 51 111.200 111.200 116.652 -5.452 18531
3892 1 15 . 1 1 51 51 THR HA H 51 5.490 5.490 4.454 1.036 18531
3893 1 15 . 1 1 51 51 THR CA C 51 62.300 62.300 61.981 0.319 18531
3894 1 15 . 1 1 51 51 THR CB C 51 72.100 72.100 69.117 2.983 18531
3895 1 15 . 1 1 51 51 THR H H 51 7.390 7.390 7.457 -0.067 18531
3896 1 15 . 1 1 52 52 PHE N N 52 131.000 131.000 127.922 3.078 18531
3897 1 15 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.960 0.670 18531
3898 1 15 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.791 2.509 18531
3899 1 15 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.144 1.456 18531
3900 1 15 . 1 1 52 52 PHE H H 52 10.390 10.390 8.564 1.826 18531
3901 1 15 . 1 1 53 53 THR N N 53 117.400 117.400 117.156 0.244 18531
3902 1 15 . 1 1 53 53 THR HA H 53 5.270 5.270 5.216 0.054 18531
3903 1 15 . 1 1 53 53 THR CA C 53 61.200 61.200 61.518 -0.318 18531
3904 1 15 . 1 1 53 53 THR CB C 53 71.000 71.000 71.933 -0.933 18531
3905 1 15 . 1 1 53 53 THR H H 53 9.180 9.180 8.625 0.555 18531
3906 1 15 . 1 1 54 54 VAL N N 54 123.000 123.000 125.878 -2.878 18531
3907 1 15 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.530 -0.070 18531
3908 1 15 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.761 -0.661 18531
3909 1 15 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.238 -1.938 18531
3910 1 15 . 1 1 54 54 VAL H H 54 8.280 8.280 8.561 -0.281 18531
3911 1 15 . 1 1 55 55 THR N N 55 123.900 123.900 124.874 -0.974 18531
3912 1 15 . 1 1 55 55 THR HA H 55 4.700 4.700 4.734 -0.034 18531
3913 1 15 . 1 1 55 55 THR CA C 55 61.200 61.200 60.811 0.389 18531
3914 1 15 . 1 1 55 55 THR CB C 55 70.700 70.700 70.941 -0.241 18531
3915 1 15 . 1 1 55 55 THR H H 55 8.320 8.320 8.392 -0.072 18531
3916 1 16 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.698 0.352 18531
3917 1 16 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.605 0.994 18531
3918 1 16 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.563 0.137 18531
3919 1 16 . 1 1 2 2 GLN H H 2 8.410 8.410 8.231 0.179 18531
3920 1 16 . 1 1 3 3 TYR N N 3 124.000 124.000 121.379 2.621 18531
3921 1 16 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.896 0.464 18531
3922 1 16 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.822 0.278 18531
3923 1 16 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.276 1.325 18531
3924 1 16 . 1 1 3 3 TYR H H 3 9.070 9.070 9.031 0.039 18531
3925 1 16 . 1 1 4 4 LYS N N 4 122.500 122.500 119.103 3.397 18531
3926 1 16 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.466 -0.246 18531
3927 1 16 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.602 0.398 18531
3928 1 16 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.141 -1.141 18531
3929 1 16 . 1 1 4 4 LYS H H 4 9.100 9.100 8.698 0.402 18531
3930 1 16 . 1 1 5 5 LEU N N 5 126.400 126.400 124.819 1.581 18531
3931 1 16 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.191 -0.221 18531
3932 1 16 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.250 -1.450 18531
3933 1 16 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.441 -2.841 18531
3934 1 16 . 1 1 5 5 LEU H H 5 8.620 8.620 8.873 -0.253 18531
3935 1 16 . 1 1 6 6 VAL N N 6 127.000 127.000 126.429 0.571 18531
3936 1 16 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.708 -0.548 18531
3937 1 16 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.878 1.422 18531
3938 1 16 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.248 -1.548 18531
3939 1 16 . 1 1 6 6 VAL H H 6 9.190 9.190 9.276 -0.086 18531
3940 1 16 . 1 1 7 7 ILE N N 7 125.400 125.400 126.010 -0.610 18531
3941 1 16 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.317 -0.227 18531
3942 1 16 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.752 -0.052 18531
3943 1 16 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.394 0.606 18531
3944 1 16 . 1 1 7 7 ILE H H 7 8.800 8.800 9.249 -0.449 18531
3945 1 16 . 1 1 8 8 ASN N N 8 128.900 128.900 126.438 2.462 18531
3946 1 16 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.956 0.324 18531
3947 1 16 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.545 -1.745 18531
3948 1 16 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.155 -0.055 18531
3949 1 16 . 1 1 8 8 ASN H H 8 8.990 8.990 8.192 0.798 18531
3950 1 16 . 1 1 9 9 GLY N N 9 110.200 110.200 108.784 1.416 18531
3951 1 16 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.731 -0.031 18531
3952 1 16 . 1 1 9 9 GLY H H 9 7.920 7.920 7.584 0.336 18531
3953 1 16 . 1 1 10 10 LYS N N 10 120.700 120.700 119.663 1.037 18531
3954 1 16 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.263 -0.203 18531
3955 1 16 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.679 0.521 18531
3956 1 16 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.260 -0.360 18531
3957 1 16 . 1 1 10 10 LYS H H 10 9.520 9.520 8.603 0.917 18531
3958 1 16 . 1 1 11 11 THR N N 11 108.900 108.900 109.690 -0.790 18531
3959 1 16 . 1 1 11 11 THR HA H 11 4.360 4.360 4.337 0.023 18531
3960 1 16 . 1 1 11 11 THR CA C 11 62.000 62.000 62.796 -0.796 18531
3961 1 16 . 1 1 11 11 THR CB C 11 69.800 69.800 69.469 0.331 18531
3962 1 16 . 1 1 11 11 THR H H 11 8.790 8.790 7.882 0.908 18531
3963 1 16 . 1 1 12 12 LEU N N 12 125.700 125.700 125.074 0.626 18531
3964 1 16 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.324 0.116 18531
3965 1 16 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.232 -0.232 18531
3966 1 16 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.163 1.137 18531
3967 1 16 . 1 1 12 12 LEU H H 12 7.580 7.580 8.192 -0.612 18531
3968 1 16 . 1 1 13 13 LYS N N 13 123.500 123.500 124.792 -1.292 18531
3969 1 16 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.355 -0.235 18531
3970 1 16 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.027 -1.127 18531
3971 1 16 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.890 -1.090 18531
3972 1 16 . 1 1 13 13 LYS H H 13 8.140 8.140 8.251 -0.111 18531
3973 1 16 . 1 1 14 14 GLY N N 14 109.100 109.100 110.701 -1.601 18531
3974 1 16 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.713 -0.513 18531
3975 1 16 . 1 1 14 14 GLY H H 14 8.340 8.340 7.951 0.389 18531
3976 1 16 . 1 1 15 15 GLU N N 15 118.200 118.200 118.440 -0.240 18531
3977 1 16 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.660 -0.060 18531
3978 1 16 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.842 -0.342 18531
3979 1 16 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.674 0.126 18531
3980 1 16 . 1 1 15 15 GLU H H 15 8.390 8.390 8.453 -0.063 18531
3981 1 16 . 1 1 16 16 THR N N 16 115.600 115.600 114.430 1.170 18531
3982 1 16 . 1 1 16 16 THR HA H 16 4.730 4.730 4.694 0.036 18531
3983 1 16 . 1 1 16 16 THR CA C 16 60.600 60.600 60.500 0.100 18531
3984 1 16 . 1 1 16 16 THR CB C 16 69.500 69.500 69.825 -0.325 18531
3985 1 16 . 1 1 16 16 THR H H 16 8.820 8.820 8.473 0.347 18531
3986 1 16 . 1 1 17 17 THR N N 17 111.800 111.800 114.799 -2.999 18531
3987 1 16 . 1 1 17 17 THR HA H 17 5.790 5.790 5.460 0.330 18531
3988 1 16 . 1 1 17 17 THR CA C 17 59.800 59.800 60.242 -0.443 18531
3989 1 16 . 1 1 17 17 THR CB C 17 73.100 73.100 71.914 1.186 18531
3990 1 16 . 1 1 17 17 THR H H 17 8.140 8.140 8.290 -0.150 18531
3991 1 16 . 1 1 18 18 THR N N 18 115.100 115.100 115.149 -0.049 18531
3992 1 16 . 1 1 18 18 THR HA H 18 4.640 4.640 4.634 0.006 18531
3993 1 16 . 1 1 18 18 THR CA C 18 61.900 61.900 61.555 0.345 18531
3994 1 16 . 1 1 18 18 THR CB C 18 70.000 70.000 71.184 -1.184 18531
3995 1 16 . 1 1 18 18 THR H H 18 8.930 8.930 8.329 0.601 18531
3996 1 16 . 1 1 19 19 LYS N N 19 124.300 124.300 124.078 0.222 18531
3997 1 16 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.286 0.044 18531
3998 1 16 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.089 -0.089 18531
3999 1 16 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.873 -1.073 18531
4000 1 16 . 1 1 19 19 LYS H H 19 7.950 7.950 8.285 -0.335 18531
4001 1 16 . 1 1 20 20 ALA N N 20 124.600 124.600 124.878 -0.278 18531
4002 1 16 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.563 0.217 18531
4003 1 16 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.999 -1.099 18531
4004 1 16 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.761 3.039 18531
4005 1 16 . 1 1 20 20 ALA H H 20 9.110 9.110 8.109 1.001 18531
4006 1 16 . 1 1 21 21 VAL N N 21 115.300 115.300 116.513 -1.213 18531
4007 1 16 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.296 -0.186 18531
4008 1 16 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.561 -0.261 18531
4009 1 16 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.567 0.633 18531
4010 1 16 . 1 1 21 21 VAL H H 21 8.480 8.480 8.516 -0.036 18531
4011 1 16 . 1 1 22 22 ASP N N 22 115.200 115.200 114.214 0.986 18531
4012 1 16 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.675 0.035 18531
4013 1 16 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.353 -0.953 18531
4014 1 16 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.900 0.300 18531
4015 1 16 . 1 1 22 22 ASP H H 22 7.310 7.310 7.449 -0.139 18531
4016 1 16 . 1 1 23 23 ALA N N 23 121.000 121.000 122.901 -1.901 18531
4017 1 16 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.569 -0.229 18531
4018 1 16 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.778 0.122 18531
4019 1 16 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.454 -0.954 18531
4020 1 16 . 1 1 23 23 ALA H H 23 8.370 8.370 8.701 -0.331 18531
4021 1 16 . 1 1 24 24 GLU N N 24 118.900 118.900 120.251 -1.351 18531
4022 1 16 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.976 -0.116 18531
4023 1 16 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.300 0.400 18531
4024 1 16 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.019 0.081 18531
4025 1 16 . 1 1 24 24 GLU H H 24 8.410 8.410 8.130 0.280 18531
4026 1 16 . 1 1 25 25 THR N N 25 117.400 117.400 115.069 2.331 18531
4027 1 16 . 1 1 25 25 THR HA H 25 3.670 3.670 3.916 -0.246 18531
4028 1 16 . 1 1 25 25 THR CA C 25 66.800 66.800 65.766 1.034 18531
4029 1 16 . 1 1 25 25 THR CB C 25 68.000 68.000 68.747 -0.747 18531
4030 1 16 . 1 1 25 25 THR H H 25 8.380 8.380 8.706 -0.326 18531
4031 1 16 . 1 1 26 26 ALA N N 26 125.100 125.100 122.574 2.526 18531
4032 1 16 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.804 -0.614 18531
4033 1 16 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.107 0.893 18531
4034 1 16 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.918 -0.618 18531
4035 1 16 . 1 1 26 26 ALA H H 26 7.220 7.220 7.459 -0.239 18531
4036 1 16 . 1 1 27 27 GLU N N 27 117.400 117.400 119.679 -2.279 18531
4037 1 16 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.779 -1.189 18531
4038 1 16 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.461 0.240 18531
4039 1 16 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.363 -0.163 18531
4040 1 16 . 1 1 27 27 GLU H H 27 8.370 8.370 7.929 0.441 18531
4041 1 16 . 1 1 28 28 LYS N N 28 116.300 116.300 118.183 -1.883 18531
4042 1 16 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.915 -0.245 18531
4043 1 16 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.791 0.809 18531
4044 1 16 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.232 -0.032 18531
4045 1 16 . 1 1 28 28 LYS H H 28 7.170 7.170 7.587 -0.417 18531
4046 1 16 . 1 1 29 29 ALA N N 29 122.000 122.000 120.300 1.700 18531
4047 1 16 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.091 -0.001 18531
4048 1 16 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.244 0.456 18531
4049 1 16 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.569 -1.069 18531
4050 1 16 . 1 1 29 29 ALA H H 29 7.200 7.200 7.411 -0.211 18531
4051 1 16 . 1 1 30 30 PHE N N 30 119.600 119.600 117.684 1.916 18531
4052 1 16 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.137 0.643 18531
4053 1 16 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.184 -2.584 18531
4054 1 16 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.420 -1.020 18531
4055 1 16 . 1 1 30 30 PHE H H 30 8.610 8.610 7.427 1.183 18531
4056 1 16 . 1 1 31 31 LYS N N 31 122.800 122.800 115.962 6.838 18531
4057 1 16 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.023 0.067 18531
4058 1 16 . 1 1 31 31 LYS CA C 31 59.700 59.700 56.997 2.703 18531
4059 1 16 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.090 -0.489 18531
4060 1 16 . 1 1 31 31 LYS H H 31 9.030 9.030 7.502 1.528 18531
4061 1 16 . 1 1 32 32 GLN N N 32 119.600 119.600 118.488 1.112 18531
4062 1 16 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.240 -0.210 18531
4063 1 16 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.408 0.292 18531
4064 1 16 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.679 -1.579 18531
4065 1 16 . 1 1 32 32 GLN H H 32 7.510 7.510 7.337 0.173 18531
4066 1 16 . 1 1 33 33 TYR N N 33 120.400 120.400 121.935 -1.535 18531
4067 1 16 . 1 1 33 33 TYR HA H 33 4.250 4.250 3.988 0.262 18531
4068 1 16 . 1 1 33 33 TYR CA C 33 61.800 61.800 62.107 -0.307 18531
4069 1 16 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.438 0.263 18531
4070 1 16 . 1 1 33 33 TYR H H 33 8.080 8.080 7.695 0.385 18531
4071 1 16 . 1 1 34 34 ALA N N 34 122.300 122.300 120.238 2.062 18531
4072 1 16 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.943 -0.163 18531
4073 1 16 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.992 0.108 18531
4074 1 16 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.270 -0.570 18531
4075 1 16 . 1 1 34 34 ALA H H 34 9.210 9.210 8.389 0.821 18531
4076 1 16 . 1 1 35 35 ASN N N 35 117.700 117.700 116.243 1.457 18531
4077 1 16 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.459 0.001 18531
4078 1 16 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.164 0.836 18531
4079 1 16 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.864 1.137 18531
4080 1 16 . 1 1 35 35 ASN H H 35 8.390 8.390 8.177 0.213 18531
4081 1 16 . 1 1 36 36 ASP N N 36 121.100 121.100 119.410 1.690 18531
4082 1 16 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.490 -0.130 18531
4083 1 16 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.330 0.370 18531
4084 1 16 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.627 -0.627 18531
4085 1 16 . 1 1 36 36 ASP H H 36 8.830 8.830 8.685 0.145 18531
4086 1 16 . 1 1 37 37 ASN N N 37 115.200 115.200 114.930 0.270 18531
4087 1 16 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.617 -0.007 18531
4088 1 16 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.215 0.485 18531
4089 1 16 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.857 0.143 18531
4090 1 16 . 1 1 37 37 ASN H H 37 7.390 7.390 7.654 -0.264 18531
4091 1 16 . 1 1 38 38 GLY N N 38 108.200 108.200 107.835 0.365 18531
4092 1 16 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.298 1.102 18531
4093 1 16 . 1 1 38 38 GLY H H 38 7.800 7.800 8.095 -0.295 18531
4094 1 16 . 1 1 39 39 VAL N N 39 120.800 120.800 123.831 -3.031 18531
4095 1 16 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.914 0.226 18531
4096 1 16 . 1 1 39 39 VAL CA C 39 61.700 61.700 63.264 -1.564 18531
4097 1 16 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.298 1.002 18531
4098 1 16 . 1 1 39 39 VAL H H 39 8.120 8.120 7.678 0.442 18531
4099 1 16 . 1 1 40 40 ASP N N 40 128.000 128.000 125.669 2.331 18531
4100 1 16 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.838 0.052 18531
4101 1 16 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.294 -0.494 18531
4102 1 16 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.870 -0.770 18531
4103 1 16 . 1 1 40 40 ASP H H 40 8.770 8.770 8.334 0.436 18531
4104 1 16 . 1 1 41 41 GLY N N 41 107.100 107.100 109.310 -2.210 18531
4105 1 16 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.756 0.644 18531
4106 1 16 . 1 1 41 41 GLY H H 41 7.910 7.910 7.850 0.060 18531
4107 1 16 . 1 1 42 42 VAL N N 42 120.300 120.300 118.787 1.513 18531
4108 1 16 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.418 -0.038 18531
4109 1 16 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.852 1.248 18531
4110 1 16 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.734 0.666 18531
4111 1 16 . 1 1 42 42 VAL H H 42 8.250 8.250 7.530 0.720 18531
4112 1 16 . 1 1 43 43 TRP N N 43 130.700 130.700 127.363 3.337 18531
4113 1 16 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.339 0.021 18531
4114 1 16 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.999 1.601 18531
4115 1 16 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.957 -0.757 18531
4116 1 16 . 1 1 43 43 TRP H H 43 9.360 9.360 8.504 0.856 18531
4117 1 16 . 1 1 44 44 THR N N 44 114.500 114.500 116.006 -1.506 18531
4118 1 16 . 1 1 44 44 THR HA H 44 4.830 4.830 4.895 -0.065 18531
4119 1 16 . 1 1 44 44 THR CA C 44 60.300 60.300 61.209 -0.909 18531
4120 1 16 . 1 1 44 44 THR CB C 44 72.100 72.100 71.674 0.426 18531
4121 1 16 . 1 1 44 44 THR H H 44 9.400 9.400 8.369 1.031 18531
4122 1 16 . 1 1 45 45 TYR N N 45 120.100 120.100 121.094 -0.994 18531
4123 1 16 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.594 0.376 18531
4124 1 16 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.818 0.182 18531
4125 1 16 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.845 1.755 18531
4126 1 16 . 1 1 45 45 TYR H H 45 8.580 8.580 8.061 0.519 18531
4127 1 16 . 1 1 46 46 ASP N N 46 128.300 128.300 122.482 5.818 18531
4128 1 16 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.464 0.116 18531
4129 1 16 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.910 -0.010 18531
4130 1 16 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.299 -0.199 18531
4131 1 16 . 1 1 46 46 ASP H H 46 7.580 7.580 8.281 -0.701 18531
4132 1 16 . 1 1 47 47 ASP N N 47 124.800 124.800 126.953 -2.153 18531
4133 1 16 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.454 -0.344 18531
4134 1 16 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.614 -0.114 18531
4135 1 16 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.041 1.059 18531
4136 1 16 . 1 1 47 47 ASP H H 47 8.590 8.590 8.665 -0.075 18531
4137 1 16 . 1 1 48 48 ALA N N 48 119.700 119.700 119.778 -0.078 18531
4138 1 16 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.115 -0.025 18531
4139 1 16 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.077 0.923 18531
4140 1 16 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.812 -0.512 18531
4141 1 16 . 1 1 48 48 ALA H H 48 8.340 8.340 7.889 0.451 18531
4142 1 16 . 1 1 49 49 THR N N 49 103.200 103.200 111.238 -8.038 18531
4143 1 16 . 1 1 49 49 THR HA H 49 4.390 4.390 4.423 -0.033 18531
4144 1 16 . 1 1 49 49 THR CA C 49 60.200 60.200 61.162 -0.962 18531
4145 1 16 . 1 1 49 49 THR CB C 49 70.000 70.000 70.816 -0.815 18531
4146 1 16 . 1 1 49 49 THR H H 49 7.000 7.000 7.793 -0.793 18531
4147 1 16 . 1 1 50 50 LYS N N 50 123.100 123.100 118.720 4.380 18531
4148 1 16 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.835 -0.645 18531
4149 1 16 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.256 0.344 18531
4150 1 16 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.321 -4.721 18531
4151 1 16 . 1 1 50 50 LYS H H 50 7.860 7.860 8.419 -0.559 18531
4152 1 16 . 1 1 51 51 THR N N 51 111.200 111.200 117.688 -6.488 18531
4153 1 16 . 1 1 51 51 THR HA H 51 5.490 5.490 4.808 0.682 18531
4154 1 16 . 1 1 51 51 THR CA C 51 62.300 62.300 62.456 -0.156 18531
4155 1 16 . 1 1 51 51 THR CB C 51 72.100 72.100 69.267 2.833 18531
4156 1 16 . 1 1 51 51 THR H H 51 7.390 7.390 8.070 -0.680 18531
4157 1 16 . 1 1 52 52 PHE N N 52 131.000 131.000 128.728 2.272 18531
4158 1 16 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.429 0.201 18531
4159 1 16 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.297 1.002 18531
4160 1 16 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.302 1.298 18531
4161 1 16 . 1 1 52 52 PHE H H 52 10.390 10.390 9.311 1.079 18531
4162 1 16 . 1 1 53 53 THR N N 53 117.400 117.400 116.696 0.704 18531
4163 1 16 . 1 1 53 53 THR HA H 53 5.270 5.270 5.177 0.093 18531
4164 1 16 . 1 1 53 53 THR CA C 53 61.200 61.200 61.651 -0.451 18531
4165 1 16 . 1 1 53 53 THR CB C 53 71.000 71.000 72.564 -1.564 18531
4166 1 16 . 1 1 53 53 THR H H 53 9.180 9.180 8.459 0.721 18531
4167 1 16 . 1 1 54 54 VAL N N 54 123.000 123.000 123.451 -0.451 18531
4168 1 16 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.542 -0.082 18531
4169 1 16 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.200 -1.100 18531
4170 1 16 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.624 -2.324 18531
4171 1 16 . 1 1 54 54 VAL H H 54 8.280 8.280 8.121 0.159 18531
4172 1 16 . 1 1 55 55 THR N N 55 123.900 123.900 124.758 -0.858 18531
4173 1 16 . 1 1 55 55 THR HA H 55 4.700 4.700 4.628 0.072 18531
4174 1 16 . 1 1 55 55 THR CA C 55 61.200 61.200 61.209 -0.009 18531
4175 1 16 . 1 1 55 55 THR CB C 55 70.700 70.700 69.943 0.757 18531
4176 1 16 . 1 1 55 55 THR H H 55 8.320 8.320 8.119 0.201 18531
4177 1 17 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.211 0.839 18531
4178 1 17 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.807 -1.207 18531
4179 1 17 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.188 2.512 18531
4180 1 17 . 1 1 2 2 GLN H H 2 8.410 8.410 8.203 0.207 18531
4181 1 17 . 1 1 3 3 TYR N N 3 124.000 124.000 123.332 0.668 18531
4182 1 17 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.941 0.419 18531
4183 1 17 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.769 0.331 18531
4184 1 17 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.676 0.924 18531
4185 1 17 . 1 1 3 3 TYR H H 3 9.070 9.070 9.128 -0.058 18531
4186 1 17 . 1 1 4 4 LYS N N 4 122.500 122.500 118.934 3.566 18531
4187 1 17 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.342 -0.122 18531
4188 1 17 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.349 0.651 18531
4189 1 17 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.235 -1.235 18531
4190 1 17 . 1 1 4 4 LYS H H 4 9.100 9.100 8.262 0.838 18531
4191 1 17 . 1 1 5 5 LEU N N 5 126.400 126.400 123.481 2.919 18531
4192 1 17 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.560 0.410 18531
4193 1 17 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.043 -1.243 18531
4194 1 17 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.899 -3.299 18531
4195 1 17 . 1 1 5 5 LEU H H 5 8.620 8.620 8.571 0.049 18531
4196 1 17 . 1 1 6 6 VAL N N 6 127.000 127.000 127.042 -0.042 18531
4197 1 17 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.352 -0.192 18531
4198 1 17 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.283 2.017 18531
4199 1 17 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.187 1.513 18531
4200 1 17 . 1 1 6 6 VAL H H 6 9.190 9.190 9.037 0.153 18531
4201 1 17 . 1 1 7 7 ILE N N 7 125.400 125.400 129.685 -4.285 18531
4202 1 17 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.167 -0.077 18531
4203 1 17 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.493 -0.793 18531
4204 1 17 . 1 1 7 7 ILE CB C 7 39.000 39.000 36.629 2.371 18531
4205 1 17 . 1 1 7 7 ILE H H 7 8.800 8.800 8.132 0.668 18531
4206 1 17 . 1 1 8 8 ASN N N 8 128.900 128.900 125.932 2.968 18531
4207 1 17 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.933 0.347 18531
4208 1 17 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.572 -1.772 18531
4209 1 17 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.770 -0.671 18531
4210 1 17 . 1 1 8 8 ASN H H 8 8.990 8.990 8.298 0.692 18531
4211 1 17 . 1 1 9 9 GLY N N 9 110.200 110.200 108.029 2.171 18531
4212 1 17 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.735 -0.035 18531
4213 1 17 . 1 1 9 9 GLY H H 9 7.920 7.920 7.989 -0.069 18531
4214 1 17 . 1 1 10 10 LYS N N 10 120.700 120.700 118.701 1.999 18531
4215 1 17 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.319 -0.259 18531
4216 1 17 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.660 0.540 18531
4217 1 17 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.252 -0.352 18531
4218 1 17 . 1 1 10 10 LYS H H 10 9.520 9.520 8.508 1.012 18531
4219 1 17 . 1 1 11 11 THR N N 11 108.900 108.900 110.419 -1.519 18531
4220 1 17 . 1 1 11 11 THR HA H 11 4.360 4.360 4.313 0.047 18531
4221 1 17 . 1 1 11 11 THR CA C 11 62.000 62.000 62.263 -0.263 18531
4222 1 17 . 1 1 11 11 THR CB C 11 69.800 69.800 69.368 0.432 18531
4223 1 17 . 1 1 11 11 THR H H 11 8.790 8.790 7.790 1.000 18531
4224 1 17 . 1 1 12 12 LEU N N 12 125.700 125.700 124.068 1.632 18531
4225 1 17 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.380 0.060 18531
4226 1 17 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.455 -0.455 18531
4227 1 17 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.347 0.953 18531
4228 1 17 . 1 1 12 12 LEU H H 12 7.580 7.580 8.087 -0.507 18531
4229 1 17 . 1 1 13 13 LYS N N 13 123.500 123.500 125.865 -2.365 18531
4230 1 17 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.253 -0.133 18531
4231 1 17 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.549 -1.649 18531
4232 1 17 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.581 1.219 18531
4233 1 17 . 1 1 13 13 LYS H H 13 8.140 8.140 8.532 -0.392 18531
4234 1 17 . 1 1 14 14 GLY N N 14 109.100 109.100 110.278 -1.178 18531
4235 1 17 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.517 0.683 18531
4236 1 17 . 1 1 14 14 GLY H H 14 8.340 8.340 7.773 0.567 18531
4237 1 17 . 1 1 15 15 GLU N N 15 118.200 118.200 118.479 -0.279 18531
4238 1 17 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.595 0.005 18531
4239 1 17 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.936 -0.436 18531
4240 1 17 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.512 0.288 18531
4241 1 17 . 1 1 15 15 GLU H H 15 8.390 8.390 8.226 0.164 18531
4242 1 17 . 1 1 16 16 THR N N 16 115.600 115.600 114.550 1.050 18531
4243 1 17 . 1 1 16 16 THR HA H 16 4.730 4.730 4.772 -0.042 18531
4244 1 17 . 1 1 16 16 THR CA C 16 60.600 60.600 61.116 -0.516 18531
4245 1 17 . 1 1 16 16 THR CB C 16 69.500 69.500 69.999 -0.499 18531
4246 1 17 . 1 1 16 16 THR H H 16 8.820 8.820 8.274 0.546 18531
4247 1 17 . 1 1 17 17 THR N N 17 111.800 111.800 113.698 -1.898 18531
4248 1 17 . 1 1 17 17 THR HA H 17 5.790 5.790 5.565 0.225 18531
4249 1 17 . 1 1 17 17 THR CA C 17 59.800 59.800 60.138 -0.338 18531
4250 1 17 . 1 1 17 17 THR CB C 17 73.100 73.100 72.307 0.793 18531
4251 1 17 . 1 1 17 17 THR H H 17 8.140 8.140 8.261 -0.121 18531
4252 1 17 . 1 1 18 18 THR N N 18 115.100 115.100 115.023 0.077 18531
4253 1 17 . 1 1 18 18 THR HA H 18 4.640 4.640 4.591 0.049 18531
4254 1 17 . 1 1 18 18 THR CA C 18 61.900 61.900 61.981 -0.081 18531
4255 1 17 . 1 1 18 18 THR CB C 18 70.000 70.000 71.384 -1.384 18531
4256 1 17 . 1 1 18 18 THR H H 18 8.930 8.930 8.808 0.122 18531
4257 1 17 . 1 1 19 19 LYS N N 19 124.300 124.300 126.461 -2.161 18531
4258 1 17 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.514 0.816 18531
4259 1 17 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.304 -0.304 18531
4260 1 17 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.776 1.024 18531
4261 1 17 . 1 1 19 19 LYS H H 19 7.950 7.950 8.517 -0.567 18531
4262 1 17 . 1 1 20 20 ALA N N 20 124.600 124.600 128.267 -3.667 18531
4263 1 17 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.676 0.104 18531
4264 1 17 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.766 0.134 18531
4265 1 17 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.695 2.105 18531
4266 1 17 . 1 1 20 20 ALA H H 20 9.110 9.110 8.467 0.643 18531
4267 1 17 . 1 1 21 21 VAL N N 21 115.300 115.300 114.903 0.397 18531
4268 1 17 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.072 0.038 18531
4269 1 17 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.455 -0.154 18531
4270 1 17 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.392 0.808 18531
4271 1 17 . 1 1 21 21 VAL H H 21 8.480 8.480 8.472 0.008 18531
4272 1 17 . 1 1 22 22 ASP N N 22 115.200 115.200 113.763 1.437 18531
4273 1 17 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.851 -0.141 18531
4274 1 17 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.366 -0.966 18531
4275 1 17 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.861 0.340 18531
4276 1 17 . 1 1 22 22 ASP H H 22 7.310 7.310 7.582 -0.272 18531
4277 1 17 . 1 1 23 23 ALA N N 23 121.000 121.000 123.546 -2.546 18531
4278 1 17 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.497 -0.157 18531
4279 1 17 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.646 -0.746 18531
4280 1 17 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.790 -1.290 18531
4281 1 17 . 1 1 23 23 ALA H H 23 8.370 8.370 8.769 -0.399 18531
4282 1 17 . 1 1 24 24 GLU N N 24 118.900 118.900 117.628 1.272 18531
4283 1 17 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.864 -0.004 18531
4284 1 17 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.873 0.827 18531
4285 1 17 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.223 0.877 18531
4286 1 17 . 1 1 24 24 GLU H H 24 8.410 8.410 8.608 -0.198 18531
4287 1 17 . 1 1 25 25 THR N N 25 117.400 117.400 117.100 0.300 18531
4288 1 17 . 1 1 25 25 THR HA H 25 3.670 3.670 4.065 -0.395 18531
4289 1 17 . 1 1 25 25 THR CA C 25 66.800 66.800 66.012 0.788 18531
4290 1 17 . 1 1 25 25 THR CB C 25 68.000 68.000 68.658 -0.658 18531
4291 1 17 . 1 1 25 25 THR H H 25 8.380 8.380 7.920 0.460 18531
4292 1 17 . 1 1 26 26 ALA N N 26 125.100 125.100 123.436 1.664 18531
4293 1 17 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.963 -0.773 18531
4294 1 17 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.830 0.170 18531
4295 1 17 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.999 -0.699 18531
4296 1 17 . 1 1 26 26 ALA H H 26 7.220 7.220 7.828 -0.608 18531
4297 1 17 . 1 1 27 27 GLU N N 27 117.400 117.400 118.680 -1.280 18531
4298 1 17 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.766 -1.176 18531
4299 1 17 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.089 -0.389 18531
4300 1 17 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.077 0.123 18531
4301 1 17 . 1 1 27 27 GLU H H 27 8.370 8.370 8.407 -0.037 18531
4302 1 17 . 1 1 28 28 LYS N N 28 116.300 116.300 119.021 -2.721 18531
4303 1 17 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.859 -0.189 18531
4304 1 17 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.329 0.271 18531
4305 1 17 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.939 0.261 18531
4306 1 17 . 1 1 28 28 LYS H H 28 7.170 7.170 7.708 -0.538 18531
4307 1 17 . 1 1 29 29 ALA N N 29 122.000 122.000 121.710 0.290 18531
4308 1 17 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.081 0.009 18531
4309 1 17 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.910 -0.210 18531
4310 1 17 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.190 -0.690 18531
4311 1 17 . 1 1 29 29 ALA H H 29 7.200 7.200 7.308 -0.108 18531
4312 1 17 . 1 1 30 30 PHE N N 30 119.600 119.600 117.969 1.631 18531
4313 1 17 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.266 0.514 18531
4314 1 17 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.304 -4.704 18531
4315 1 17 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.543 -1.143 18531
4316 1 17 . 1 1 30 30 PHE H H 30 8.610 8.610 8.425 0.185 18531
4317 1 17 . 1 1 31 31 LYS N N 31 122.800 122.800 117.395 5.405 18531
4318 1 17 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.907 0.183 18531
4319 1 17 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.576 0.124 18531
4320 1 17 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.571 0.029 18531
4321 1 17 . 1 1 31 31 LYS H H 31 9.030 9.030 8.491 0.539 18531
4322 1 17 . 1 1 32 32 GLN N N 32 119.600 119.600 119.827 -0.227 18531
4323 1 17 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.075 -0.045 18531
4324 1 17 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.352 -0.652 18531
4325 1 17 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.519 -0.419 18531
4326 1 17 . 1 1 32 32 GLN H H 32 7.510 7.510 7.965 -0.455 18531
4327 1 17 . 1 1 33 33 TYR N N 33 120.400 120.400 120.466 -0.066 18531
4328 1 17 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.146 0.104 18531
4329 1 17 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.492 0.308 18531
4330 1 17 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.327 0.373 18531
4331 1 17 . 1 1 33 33 TYR H H 33 8.080 8.080 7.854 0.226 18531
4332 1 17 . 1 1 34 34 ALA N N 34 122.300 122.300 121.100 1.200 18531
4333 1 17 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.929 -0.149 18531
4334 1 17 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.300 0.800 18531
4335 1 17 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.493 -0.793 18531
4336 1 17 . 1 1 34 34 ALA H H 34 9.210 9.210 7.937 1.273 18531
4337 1 17 . 1 1 35 35 ASN N N 35 117.700 117.700 117.519 0.181 18531
4338 1 17 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.448 0.012 18531
4339 1 17 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.050 0.950 18531
4340 1 17 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.014 0.986 18531
4341 1 17 . 1 1 35 35 ASN H H 35 8.390 8.390 8.456 -0.066 18531
4342 1 17 . 1 1 36 36 ASP N N 36 121.100 121.100 120.188 0.912 18531
4343 1 17 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.437 -0.077 18531
4344 1 17 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.011 -0.311 18531
4345 1 17 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.520 -0.520 18531
4346 1 17 . 1 1 36 36 ASP H H 36 8.830 8.830 8.818 0.012 18531
4347 1 17 . 1 1 37 37 ASN N N 37 115.200 115.200 114.850 0.350 18531
4348 1 17 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.718 -0.108 18531
4349 1 17 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.872 0.828 18531
4350 1 17 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.028 0.972 18531
4351 1 17 . 1 1 37 37 ASN H H 37 7.390 7.390 7.609 -0.220 18531
4352 1 17 . 1 1 38 38 GLY N N 38 108.200 108.200 108.185 0.015 18531
4353 1 17 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.098 0.302 18531
4354 1 17 . 1 1 38 38 GLY H H 38 7.800 7.800 8.157 -0.357 18531
4355 1 17 . 1 1 39 39 VAL N N 39 120.800 120.800 120.666 0.134 18531
4356 1 17 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.019 0.121 18531
4357 1 17 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.807 -1.107 18531
4358 1 17 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.730 1.570 18531
4359 1 17 . 1 1 39 39 VAL H H 39 8.120 8.120 8.121 -0.001 18531
4360 1 17 . 1 1 40 40 ASP N N 40 128.000 128.000 127.168 0.832 18531
4361 1 17 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.853 0.037 18531
4362 1 17 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.325 0.475 18531
4363 1 17 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.880 -0.780 18531
4364 1 17 . 1 1 40 40 ASP H H 40 8.770 8.770 8.167 0.603 18531
4365 1 17 . 1 1 41 41 GLY N N 41 107.100 107.100 107.611 -0.511 18531
4366 1 17 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.099 0.301 18531
4367 1 17 . 1 1 41 41 GLY H H 41 7.910 7.910 8.351 -0.441 18531
4368 1 17 . 1 1 42 42 VAL N N 42 120.300 120.300 119.901 0.399 18531
4369 1 17 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.482 -0.102 18531
4370 1 17 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.611 0.489 18531
4371 1 17 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.315 1.085 18531
4372 1 17 . 1 1 42 42 VAL H H 42 8.250 8.250 8.059 0.191 18531
4373 1 17 . 1 1 43 43 TRP N N 43 130.700 130.700 128.066 2.634 18531
4374 1 17 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.888 0.472 18531
4375 1 17 . 1 1 43 43 TRP CA C 43 57.600 57.600 57.024 0.576 18531
4376 1 17 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.069 0.131 18531
4377 1 17 . 1 1 43 43 TRP H H 43 9.360 9.360 8.698 0.662 18531
4378 1 17 . 1 1 44 44 THR N N 44 114.500 114.500 115.816 -1.316 18531
4379 1 17 . 1 1 44 44 THR HA H 44 4.830 4.830 4.879 -0.049 18531
4380 1 17 . 1 1 44 44 THR CA C 44 60.300 60.300 61.102 -0.802 18531
4381 1 17 . 1 1 44 44 THR CB C 44 72.100 72.100 71.094 1.006 18531
4382 1 17 . 1 1 44 44 THR H H 44 9.400 9.400 8.616 0.784 18531
4383 1 17 . 1 1 45 45 TYR N N 45 120.100 120.100 119.172 0.928 18531
4384 1 17 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.183 -0.213 18531
4385 1 17 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.950 0.050 18531
4386 1 17 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.393 1.207 18531
4387 1 17 . 1 1 45 45 TYR H H 45 8.580 8.580 8.330 0.250 18531
4388 1 17 . 1 1 46 46 ASP N N 46 128.300 128.300 122.493 5.807 18531
4389 1 17 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.597 -0.017 18531
4390 1 17 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.048 -0.148 18531
4391 1 17 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.451 -0.351 18531
4392 1 17 . 1 1 46 46 ASP H H 46 7.580 7.580 8.675 -1.095 18531
4393 1 17 . 1 1 47 47 ASP N N 47 124.800 124.800 127.105 -2.305 18531
4394 1 17 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.264 -0.154 18531
4395 1 17 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.474 0.026 18531
4396 1 17 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.978 1.122 18531
4397 1 17 . 1 1 47 47 ASP H H 47 8.590 8.590 8.647 -0.057 18531
4398 1 17 . 1 1 48 48 ALA N N 48 119.700 119.700 120.029 -0.329 18531
4399 1 17 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.111 -0.021 18531
4400 1 17 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.925 1.075 18531
4401 1 17 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.928 -0.628 18531
4402 1 17 . 1 1 48 48 ALA H H 48 8.340 8.340 8.105 0.235 18531
4403 1 17 . 1 1 49 49 THR N N 49 103.200 103.200 110.676 -7.476 18531
4404 1 17 . 1 1 49 49 THR HA H 49 4.390 4.390 4.478 -0.088 18531
4405 1 17 . 1 1 49 49 THR CA C 49 60.200 60.200 60.082 0.118 18531
4406 1 17 . 1 1 49 49 THR CB C 49 70.000 70.000 70.213 -0.213 18531
4407 1 17 . 1 1 49 49 THR H H 49 7.000 7.000 7.813 -0.813 18531
4408 1 17 . 1 1 50 50 LYS N N 50 123.100 123.100 118.848 4.252 18531
4409 1 17 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.840 -0.650 18531
4410 1 17 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.762 0.838 18531
4411 1 17 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.327 -4.727 18531
4412 1 17 . 1 1 50 50 LYS H H 50 7.860 7.860 8.342 -0.482 18531
4413 1 17 . 1 1 51 51 THR N N 51 111.200 111.200 115.214 -4.014 18531
4414 1 17 . 1 1 51 51 THR HA H 51 5.490 5.490 4.506 0.984 18531
4415 1 17 . 1 1 51 51 THR CA C 51 62.300 62.300 60.544 1.756 18531
4416 1 17 . 1 1 51 51 THR CB C 51 72.100 72.100 69.868 2.232 18531
4417 1 17 . 1 1 51 51 THR H H 51 7.390 7.390 7.793 -0.403 18531
4418 1 17 . 1 1 52 52 PHE N N 52 131.000 131.000 126.703 4.297 18531
4419 1 17 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.213 0.417 18531
4420 1 17 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.515 2.785 18531
4421 1 17 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.696 0.904 18531
4422 1 17 . 1 1 52 52 PHE H H 52 10.390 10.390 7.954 2.436 18531
4423 1 17 . 1 1 53 53 THR N N 53 117.400 117.400 117.229 0.171 18531
4424 1 17 . 1 1 53 53 THR HA H 53 5.270 5.270 4.898 0.372 18531
4425 1 17 . 1 1 53 53 THR CA C 53 61.200 61.200 61.856 -0.656 18531
4426 1 17 . 1 1 53 53 THR CB C 53 71.000 71.000 70.951 0.049 18531
4427 1 17 . 1 1 53 53 THR H H 53 9.180 9.180 8.618 0.562 18531
4428 1 17 . 1 1 54 54 VAL N N 54 123.000 123.000 128.477 -5.477 18531
4429 1 17 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.959 0.501 18531
4430 1 17 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.722 -2.622 18531
4431 1 17 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.611 -0.311 18531
4432 1 17 . 1 1 54 54 VAL H H 54 8.280 8.280 8.527 -0.247 18531
4433 1 17 . 1 1 55 55 THR N N 55 123.900 123.900 121.977 1.923 18531
4434 1 17 . 1 1 55 55 THR HA H 55 4.700 4.700 4.601 0.099 18531
4435 1 17 . 1 1 55 55 THR CA C 55 61.200 61.200 58.869 2.331 18531
4436 1 17 . 1 1 55 55 THR CB C 55 70.700 70.700 70.515 0.185 18531
4437 1 17 . 1 1 55 55 THR H H 55 8.320 8.320 8.362 -0.042 18531
4438 1 18 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.393 -0.343 18531
4439 1 18 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.099 1.501 18531
4440 1 18 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.241 0.459 18531
4441 1 18 . 1 1 2 2 GLN H H 2 8.410 8.410 8.070 0.340 18531
4442 1 18 . 1 1 3 3 TYR N N 3 124.000 124.000 122.093 1.907 18531
4443 1 18 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.043 0.317 18531
4444 1 18 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.521 0.579 18531
4445 1 18 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.428 2.172 18531
4446 1 18 . 1 1 3 3 TYR H H 3 9.070 9.070 7.961 1.109 18531
4447 1 18 . 1 1 4 4 LYS N N 4 122.500 122.500 119.538 2.962 18531
4448 1 18 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.435 -0.215 18531
4449 1 18 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.395 0.605 18531
4450 1 18 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.012 -1.012 18531
4451 1 18 . 1 1 4 4 LYS H H 4 9.100 9.100 8.873 0.227 18531
4452 1 18 . 1 1 5 5 LEU N N 5 126.400 126.400 125.303 1.097 18531
4453 1 18 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.161 -0.191 18531
4454 1 18 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.160 -1.360 18531
4455 1 18 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.707 -2.107 18531
4456 1 18 . 1 1 5 5 LEU H H 5 8.620 8.620 8.469 0.151 18531
4457 1 18 . 1 1 6 6 VAL N N 6 127.000 127.000 127.291 -0.291 18531
4458 1 18 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.724 -0.564 18531
4459 1 18 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.184 1.116 18531
4460 1 18 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.274 -1.574 18531
4461 1 18 . 1 1 6 6 VAL H H 6 9.190 9.190 9.287 -0.097 18531
4462 1 18 . 1 1 7 7 ILE N N 7 125.400 125.400 126.344 -0.944 18531
4463 1 18 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.319 -0.229 18531
4464 1 18 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.525 0.175 18531
4465 1 18 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.029 0.971 18531
4466 1 18 . 1 1 7 7 ILE H H 7 8.800 8.800 9.127 -0.327 18531
4467 1 18 . 1 1 8 8 ASN N N 8 128.900 128.900 124.804 4.096 18531
4468 1 18 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.896 0.384 18531
4469 1 18 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.525 -1.725 18531
4470 1 18 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.771 -0.671 18531
4471 1 18 . 1 1 8 8 ASN H H 8 8.990 8.990 8.021 0.969 18531
4472 1 18 . 1 1 9 9 GLY N N 9 110.200 110.200 107.464 2.736 18531
4473 1 18 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.607 0.093 18531
4474 1 18 . 1 1 9 9 GLY H H 9 7.920 7.920 7.741 0.179 18531
4475 1 18 . 1 1 10 10 LYS N N 10 120.700 120.700 118.816 1.884 18531
4476 1 18 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.283 -0.223 18531
4477 1 18 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.567 0.633 18531
4478 1 18 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.953 -0.053 18531
4479 1 18 . 1 1 10 10 LYS H H 10 9.520 9.520 8.620 0.900 18531
4480 1 18 . 1 1 11 11 THR N N 11 108.900 108.900 113.551 -4.651 18531
4481 1 18 . 1 1 11 11 THR HA H 11 4.360 4.360 4.412 -0.052 18531
4482 1 18 . 1 1 11 11 THR CA C 11 62.000 62.000 62.051 -0.051 18531
4483 1 18 . 1 1 11 11 THR CB C 11 69.800 69.800 69.286 0.514 18531
4484 1 18 . 1 1 11 11 THR H H 11 8.790 8.790 8.056 0.734 18531
4485 1 18 . 1 1 12 12 LEU N N 12 125.700 125.700 124.081 1.619 18531
4486 1 18 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.508 -0.068 18531
4487 1 18 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.346 -0.346 18531
4488 1 18 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.706 -1.407 18531
4489 1 18 . 1 1 12 12 LEU H H 12 7.580 7.580 7.572 0.008 18531
4490 1 18 . 1 1 13 13 LYS N N 13 123.500 123.500 123.585 -0.085 18531
4491 1 18 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.303 -0.183 18531
4492 1 18 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.676 -1.776 18531
4493 1 18 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.822 0.978 18531
4494 1 18 . 1 1 13 13 LYS H H 13 8.140 8.140 8.450 -0.310 18531
4495 1 18 . 1 1 14 14 GLY N N 14 109.100 109.100 110.854 -1.754 18531
4496 1 18 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.025 0.175 18531
4497 1 18 . 1 1 14 14 GLY H H 14 8.340 8.340 7.808 0.532 18531
4498 1 18 . 1 1 15 15 GLU N N 15 118.200 118.200 118.714 -0.514 18531
4499 1 18 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.613 -0.013 18531
4500 1 18 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.847 -0.347 18531
4501 1 18 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.628 0.172 18531
4502 1 18 . 1 1 15 15 GLU H H 15 8.390 8.390 8.285 0.105 18531
4503 1 18 . 1 1 16 16 THR N N 16 115.600 115.600 114.598 1.002 18531
4504 1 18 . 1 1 16 16 THR HA H 16 4.730 4.730 4.736 -0.006 18531
4505 1 18 . 1 1 16 16 THR CA C 16 60.600 60.600 60.071 0.529 18531
4506 1 18 . 1 1 16 16 THR CB C 16 69.500 69.500 69.410 0.090 18531
4507 1 18 . 1 1 16 16 THR H H 16 8.820 8.820 8.521 0.299 18531
4508 1 18 . 1 1 17 17 THR N N 17 111.800 111.800 113.942 -2.142 18531
4509 1 18 . 1 1 17 17 THR HA H 17 5.790 5.790 5.526 0.264 18531
4510 1 18 . 1 1 17 17 THR CA C 17 59.800 59.800 60.721 -0.921 18531
4511 1 18 . 1 1 17 17 THR CB C 17 73.100 73.100 72.086 1.014 18531
4512 1 18 . 1 1 17 17 THR H H 17 8.140 8.140 8.211 -0.071 18531
4513 1 18 . 1 1 18 18 THR N N 18 115.100 115.100 113.906 1.194 18531
4514 1 18 . 1 1 18 18 THR HA H 18 4.640 4.640 4.592 0.048 18531
4515 1 18 . 1 1 18 18 THR CA C 18 61.900 61.900 61.066 0.834 18531
4516 1 18 . 1 1 18 18 THR CB C 18 70.000 70.000 69.214 0.786 18531
4517 1 18 . 1 1 18 18 THR H H 18 8.930 8.930 8.225 0.705 18531
4518 1 18 . 1 1 19 19 LYS N N 19 124.300 124.300 120.398 3.902 18531
4519 1 18 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.404 -0.074 18531
4520 1 18 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.616 -0.616 18531
4521 1 18 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.922 -0.122 18531
4522 1 18 . 1 1 19 19 LYS H H 19 7.950 7.950 8.322 -0.372 18531
4523 1 18 . 1 1 20 20 ALA N N 20 124.600 124.600 126.420 -1.820 18531
4524 1 18 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.671 0.109 18531
4525 1 18 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.045 -0.145 18531
4526 1 18 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.593 3.207 18531
4527 1 18 . 1 1 20 20 ALA H H 20 9.110 9.110 8.647 0.463 18531
4528 1 18 . 1 1 21 21 VAL N N 21 115.300 115.300 119.306 -4.006 18531
4529 1 18 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.080 0.030 18531
4530 1 18 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.612 -0.312 18531
4531 1 18 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.200 1.000 18531
4532 1 18 . 1 1 21 21 VAL H H 21 8.480 8.480 8.686 -0.206 18531
4533 1 18 . 1 1 22 22 ASP N N 22 115.200 115.200 113.862 1.338 18531
4534 1 18 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.652 0.058 18531
4535 1 18 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.302 -0.902 18531
4536 1 18 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.145 0.055 18531
4537 1 18 . 1 1 22 22 ASP H H 22 7.310 7.310 7.503 -0.193 18531
4538 1 18 . 1 1 23 23 ALA N N 23 121.000 121.000 123.589 -2.589 18531
4539 1 18 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.546 -0.206 18531
4540 1 18 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.092 -0.192 18531
4541 1 18 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.433 -0.933 18531
4542 1 18 . 1 1 23 23 ALA H H 23 8.370 8.370 8.735 -0.365 18531
4543 1 18 . 1 1 24 24 GLU N N 24 118.900 118.900 117.424 1.476 18531
4544 1 18 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.890 -0.030 18531
4545 1 18 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.504 0.196 18531
4546 1 18 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.834 0.266 18531
4547 1 18 . 1 1 24 24 GLU H H 24 8.410 8.410 8.684 -0.274 18531
4548 1 18 . 1 1 25 25 THR N N 25 117.400 117.400 115.573 1.827 18531
4549 1 18 . 1 1 25 25 THR HA H 25 3.670 3.670 4.080 -0.410 18531
4550 1 18 . 1 1 25 25 THR CA C 25 66.800 66.800 65.036 1.764 18531
4551 1 18 . 1 1 25 25 THR CB C 25 68.000 68.000 69.018 -1.018 18531
4552 1 18 . 1 1 25 25 THR H H 25 8.380 8.380 7.759 0.621 18531
4553 1 18 . 1 1 26 26 ALA N N 26 125.100 125.100 124.426 0.674 18531
4554 1 18 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.490 -0.300 18531
4555 1 18 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.899 0.101 18531
4556 1 18 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.245 0.054 18531
4557 1 18 . 1 1 26 26 ALA H H 26 7.220 7.220 8.221 -1.001 18531
4558 1 18 . 1 1 27 27 GLU N N 27 117.400 117.400 117.151 0.249 18531
4559 1 18 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.697 -1.107 18531
4560 1 18 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.145 0.555 18531
4561 1 18 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.387 -0.187 18531
4562 1 18 . 1 1 27 27 GLU H H 27 8.370 8.370 7.933 0.437 18531
4563 1 18 . 1 1 28 28 LYS N N 28 116.300 116.300 117.576 -1.276 18531
4564 1 18 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.946 -0.276 18531
4565 1 18 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.216 1.384 18531
4566 1 18 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.031 0.169 18531
4567 1 18 . 1 1 28 28 LYS H H 28 7.170 7.170 7.109 0.061 18531
4568 1 18 . 1 1 29 29 ALA N N 29 122.000 122.000 120.106 1.894 18531
4569 1 18 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.134 -0.044 18531
4570 1 18 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.190 0.510 18531
4571 1 18 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.450 -0.949 18531
4572 1 18 . 1 1 29 29 ALA H H 29 7.200 7.200 7.302 -0.102 18531
4573 1 18 . 1 1 30 30 PHE N N 30 119.600 119.600 117.249 2.351 18531
4574 1 18 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.281 0.499 18531
4575 1 18 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.475 -2.875 18531
4576 1 18 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.231 -0.831 18531
4577 1 18 . 1 1 30 30 PHE H H 30 8.610 8.610 7.463 1.147 18531
4578 1 18 . 1 1 31 31 LYS N N 31 122.800 122.800 116.943 5.857 18531
4579 1 18 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.968 0.122 18531
4580 1 18 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.391 1.309 18531
4581 1 18 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.521 0.079 18531
4582 1 18 . 1 1 31 31 LYS H H 31 9.030 9.030 7.452 1.578 18531
4583 1 18 . 1 1 32 32 GLN N N 32 119.600 119.600 119.052 0.548 18531
4584 1 18 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.188 -0.158 18531
4585 1 18 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.655 0.045 18531
4586 1 18 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.366 -1.266 18531
4587 1 18 . 1 1 32 32 GLN H H 32 7.510 7.510 7.401 0.109 18531
4588 1 18 . 1 1 33 33 TYR N N 33 120.400 120.400 121.310 -0.910 18531
4589 1 18 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.108 0.142 18531
4590 1 18 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.346 0.454 18531
4591 1 18 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.384 0.316 18531
4592 1 18 . 1 1 33 33 TYR H H 33 8.080 8.080 7.655 0.425 18531
4593 1 18 . 1 1 34 34 ALA N N 34 122.300 122.300 119.937 2.363 18531
4594 1 18 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.852 -0.072 18531
4595 1 18 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.429 0.671 18531
4596 1 18 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.316 -0.616 18531
4597 1 18 . 1 1 34 34 ALA H H 34 9.210 9.210 8.212 0.998 18531
4598 1 18 . 1 1 35 35 ASN N N 35 117.700 117.700 116.401 1.299 18531
4599 1 18 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.531 -0.071 18531
4600 1 18 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.569 1.431 18531
4601 1 18 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.166 0.834 18531
4602 1 18 . 1 1 35 35 ASN H H 35 8.390 8.390 8.132 0.258 18531
4603 1 18 . 1 1 36 36 ASP N N 36 121.100 121.100 120.298 0.802 18531
4604 1 18 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.561 -0.201 18531
4605 1 18 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.463 0.237 18531
4606 1 18 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.279 -1.278 18531
4607 1 18 . 1 1 36 36 ASP H H 36 8.830 8.830 8.063 0.767 18531
4608 1 18 . 1 1 37 37 ASN N N 37 115.200 115.200 116.413 -1.213 18531
4609 1 18 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.827 -0.217 18531
4610 1 18 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.659 1.041 18531
4611 1 18 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.545 1.455 18531
4612 1 18 . 1 1 37 37 ASN H H 37 7.390 7.390 7.582 -0.192 18531
4613 1 18 . 1 1 38 38 GLY N N 38 108.200 108.200 108.086 0.114 18531
4614 1 18 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.276 0.124 18531
4615 1 18 . 1 1 38 38 GLY H H 38 7.800 7.800 7.618 0.182 18531
4616 1 18 . 1 1 39 39 VAL N N 39 120.800 120.800 119.750 1.050 18531
4617 1 18 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.235 -0.095 18531
4618 1 18 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.002 -0.302 18531
4619 1 18 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.681 0.619 18531
4620 1 18 . 1 1 39 39 VAL H H 39 8.120 8.120 7.895 0.225 18531
4621 1 18 . 1 1 40 40 ASP N N 40 128.000 128.000 128.776 -0.776 18531
4622 1 18 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.849 0.041 18531
4623 1 18 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.869 -0.069 18531
4624 1 18 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.508 -0.408 18531
4625 1 18 . 1 1 40 40 ASP H H 40 8.770 8.770 8.789 -0.019 18531
4626 1 18 . 1 1 41 41 GLY N N 41 107.100 107.100 109.697 -2.597 18531
4627 1 18 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.565 0.835 18531
4628 1 18 . 1 1 41 41 GLY H H 41 7.910 7.910 7.940 -0.030 18531
4629 1 18 . 1 1 42 42 VAL N N 42 120.300 120.300 121.373 -1.073 18531
4630 1 18 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.323 0.057 18531
4631 1 18 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.779 2.321 18531
4632 1 18 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.520 -0.120 18531
4633 1 18 . 1 1 42 42 VAL H H 42 8.250 8.250 7.683 0.567 18531
4634 1 18 . 1 1 43 43 TRP N N 43 130.700 130.700 128.990 1.710 18531
4635 1 18 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.288 0.072 18531
4636 1 18 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.919 1.681 18531
4637 1 18 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.721 -0.521 18531
4638 1 18 . 1 1 43 43 TRP H H 43 9.360 9.360 8.508 0.852 18531
4639 1 18 . 1 1 44 44 THR N N 44 114.500 114.500 117.497 -2.997 18531
4640 1 18 . 1 1 44 44 THR HA H 44 4.830 4.830 4.829 0.001 18531
4641 1 18 . 1 1 44 44 THR CA C 44 60.300 60.300 61.351 -1.051 18531
4642 1 18 . 1 1 44 44 THR CB C 44 72.100 72.100 71.092 1.008 18531
4643 1 18 . 1 1 44 44 THR H H 44 9.400 9.400 8.478 0.922 18531
4644 1 18 . 1 1 45 45 TYR N N 45 120.100 120.100 123.896 -3.796 18531
4645 1 18 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.722 0.248 18531
4646 1 18 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.425 0.575 18531
4647 1 18 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.131 1.469 18531
4648 1 18 . 1 1 45 45 TYR H H 45 8.580 8.580 8.178 0.402 18531
4649 1 18 . 1 1 46 46 ASP N N 46 128.300 128.300 122.913 5.387 18531
4650 1 18 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.485 0.095 18531
4651 1 18 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.954 -0.054 18531
4652 1 18 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.151 -1.051 18531
4653 1 18 . 1 1 46 46 ASP H H 46 7.580 7.580 8.328 -0.748 18531
4654 1 18 . 1 1 47 47 ASP N N 47 124.800 124.800 123.681 1.119 18531
4655 1 18 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.466 -0.356 18531
4656 1 18 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.599 -0.099 18531
4657 1 18 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.188 0.912 18531
4658 1 18 . 1 1 47 47 ASP H H 47 8.590 8.590 8.477 0.113 18531
4659 1 18 . 1 1 48 48 ALA N N 48 119.700 119.700 120.963 -1.263 18531
4660 1 18 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.083 0.007 18531
4661 1 18 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.157 0.843 18531
4662 1 18 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.029 -0.729 18531
4663 1 18 . 1 1 48 48 ALA H H 48 8.340 8.340 8.102 0.238 18531
4664 1 18 . 1 1 49 49 THR N N 49 103.200 103.200 111.109 -7.909 18531
4665 1 18 . 1 1 49 49 THR HA H 49 4.390 4.390 4.511 -0.121 18531
4666 1 18 . 1 1 49 49 THR CA C 49 60.200 60.200 60.404 -0.204 18531
4667 1 18 . 1 1 49 49 THR CB C 49 70.000 70.000 70.707 -0.707 18531
4668 1 18 . 1 1 49 49 THR H H 49 7.000 7.000 7.569 -0.569 18531
4669 1 18 . 1 1 50 50 LYS N N 50 123.100 123.100 118.830 4.270 18531
4670 1 18 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.850 -0.660 18531
4671 1 18 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.120 0.480 18531
4672 1 18 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.457 -4.857 18531
4673 1 18 . 1 1 50 50 LYS H H 50 7.860 7.860 8.431 -0.571 18531
4674 1 18 . 1 1 51 51 THR N N 51 111.200 111.200 117.508 -6.308 18531
4675 1 18 . 1 1 51 51 THR HA H 51 5.490 5.490 4.955 0.535 18531
4676 1 18 . 1 1 51 51 THR CA C 51 62.300 62.300 62.280 0.020 18531
4677 1 18 . 1 1 51 51 THR CB C 51 72.100 72.100 69.552 2.548 18531
4678 1 18 . 1 1 51 51 THR H H 51 7.390 7.390 7.993 -0.603 18531
4679 1 18 . 1 1 52 52 PHE N N 52 131.000 131.000 127.846 3.154 18531
4680 1 18 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.355 0.275 18531
4681 1 18 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.164 1.136 18531
4682 1 18 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.633 0.967 18531
4683 1 18 . 1 1 52 52 PHE H H 52 10.390 10.390 9.381 1.009 18531
4684 1 18 . 1 1 53 53 THR N N 53 117.400 117.400 118.086 -0.686 18531
4685 1 18 . 1 1 53 53 THR HA H 53 5.270 5.270 5.133 0.137 18531
4686 1 18 . 1 1 53 53 THR CA C 53 61.200 61.200 61.520 -0.320 18531
4687 1 18 . 1 1 53 53 THR CB C 53 71.000 71.000 71.781 -0.781 18531
4688 1 18 . 1 1 53 53 THR H H 53 9.180 9.180 8.442 0.738 18531
4689 1 18 . 1 1 54 54 VAL N N 54 123.000 123.000 126.046 -3.046 18531
4690 1 18 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.618 -0.158 18531
4691 1 18 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.735 -1.635 18531
4692 1 18 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.019 -1.719 18531
4693 1 18 . 1 1 54 54 VAL H H 54 8.280 8.280 8.225 0.055 18531
4694 1 18 . 1 1 55 55 THR N N 55 123.900 123.900 125.360 -1.460 18531
4695 1 18 . 1 1 55 55 THR HA H 55 4.700 4.700 4.780 -0.080 18531
4696 1 18 . 1 1 55 55 THR CA C 55 61.200 61.200 61.155 0.045 18531
4697 1 18 . 1 1 55 55 THR CB C 55 70.700 70.700 70.367 0.333 18531
4698 1 18 . 1 1 55 55 THR H H 55 8.320 8.320 7.825 0.495 18531
4699 1 19 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.274 -0.224 18531
4700 1 19 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.985 1.615 18531
4701 1 19 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.465 0.235 18531
4702 1 19 . 1 1 2 2 GLN H H 2 8.410 8.410 8.026 0.384 18531
4703 1 19 . 1 1 3 3 TYR N N 3 124.000 124.000 122.652 1.348 18531
4704 1 19 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.092 0.268 18531
4705 1 19 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.937 0.163 18531
4706 1 19 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.996 1.604 18531
4707 1 19 . 1 1 3 3 TYR H H 3 9.070 9.070 8.295 0.775 18531
4708 1 19 . 1 1 4 4 LYS N N 4 122.500 122.500 121.880 0.620 18531
4709 1 19 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.451 -0.231 18531
4710 1 19 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.362 0.638 18531
4711 1 19 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.508 -0.508 18531
4712 1 19 . 1 1 4 4 LYS H H 4 9.100 9.100 9.397 -0.297 18531
4713 1 19 . 1 1 5 5 LEU N N 5 126.400 126.400 125.342 1.058 18531
4714 1 19 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.380 -0.410 18531
4715 1 19 . 1 1 5 5 LEU CA C 5 52.800 52.800 52.981 -0.181 18531
4716 1 19 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.173 -3.573 18531
4717 1 19 . 1 1 5 5 LEU H H 5 8.620 8.620 8.899 -0.279 18531
4718 1 19 . 1 1 6 6 VAL N N 6 127.000 127.000 123.738 3.262 18531
4719 1 19 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.838 -0.678 18531
4720 1 19 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.690 1.610 18531
4721 1 19 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.576 -2.876 18531
4722 1 19 . 1 1 6 6 VAL H H 6 9.190 9.190 9.080 0.110 18531
4723 1 19 . 1 1 7 7 ILE N N 7 125.400 125.400 126.687 -1.287 18531
4724 1 19 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.288 -0.198 18531
4725 1 19 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.707 -0.007 18531
4726 1 19 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.946 0.055 18531
4727 1 19 . 1 1 7 7 ILE H H 7 8.800 8.800 9.179 -0.379 18531
4728 1 19 . 1 1 8 8 ASN N N 8 128.900 128.900 126.034 2.866 18531
4729 1 19 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.967 0.313 18531
4730 1 19 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.615 -1.815 18531
4731 1 19 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.014 -0.914 18531
4732 1 19 . 1 1 8 8 ASN H H 8 8.990 8.990 8.637 0.353 18531
4733 1 19 . 1 1 9 9 GLY N N 9 110.200 110.200 107.957 2.243 18531
4734 1 19 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.925 0.775 18531
4735 1 19 . 1 1 9 9 GLY H H 9 7.920 7.920 7.794 0.126 18531
4736 1 19 . 1 1 10 10 LYS N N 10 120.700 120.700 119.816 0.884 18531
4737 1 19 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.252 -0.192 18531
4738 1 19 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.708 0.492 18531
4739 1 19 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.718 0.182 18531
4740 1 19 . 1 1 10 10 LYS H H 10 9.520 9.520 8.762 0.758 18531
4741 1 19 . 1 1 11 11 THR N N 11 108.900 108.900 110.551 -1.651 18531
4742 1 19 . 1 1 11 11 THR HA H 11 4.360 4.360 4.322 0.038 18531
4743 1 19 . 1 1 11 11 THR CA C 11 62.000 62.000 62.065 -0.065 18531
4744 1 19 . 1 1 11 11 THR CB C 11 69.800 69.800 69.468 0.332 18531
4745 1 19 . 1 1 11 11 THR H H 11 8.790 8.790 7.928 0.862 18531
4746 1 19 . 1 1 12 12 LEU N N 12 125.700 125.700 123.906 1.794 18531
4747 1 19 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.419 0.021 18531
4748 1 19 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.252 -0.252 18531
4749 1 19 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.972 0.328 18531
4750 1 19 . 1 1 12 12 LEU H H 12 7.580 7.580 8.072 -0.492 18531
4751 1 19 . 1 1 13 13 LYS N N 13 123.500 123.500 124.860 -1.360 18531
4752 1 19 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.184 -0.064 18531
4753 1 19 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.724 -1.824 18531
4754 1 19 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.001 0.799 18531
4755 1 19 . 1 1 13 13 LYS H H 13 8.140 8.140 8.481 -0.341 18531
4756 1 19 . 1 1 14 14 GLY N N 14 109.100 109.100 110.768 -1.668 18531
4757 1 19 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.848 0.352 18531
4758 1 19 . 1 1 14 14 GLY H H 14 8.340 8.340 7.870 0.470 18531
4759 1 19 . 1 1 15 15 GLU N N 15 118.200 118.200 118.756 -0.556 18531
4760 1 19 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.474 0.126 18531
4761 1 19 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.022 -0.522 18531
4762 1 19 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.961 -0.161 18531
4763 1 19 . 1 1 15 15 GLU H H 15 8.390 8.390 8.374 0.016 18531
4764 1 19 . 1 1 16 16 THR N N 16 115.600 115.600 114.863 0.737 18531
4765 1 19 . 1 1 16 16 THR HA H 16 4.730 4.730 4.881 -0.151 18531
4766 1 19 . 1 1 16 16 THR CA C 16 60.600 60.600 59.853 0.747 18531
4767 1 19 . 1 1 16 16 THR CB C 16 69.500 69.500 70.137 -0.637 18531
4768 1 19 . 1 1 16 16 THR H H 16 8.820 8.820 8.780 0.040 18531
4769 1 19 . 1 1 17 17 THR N N 17 111.800 111.800 114.703 -2.903 18531
4770 1 19 . 1 1 17 17 THR HA H 17 5.790 5.790 5.821 -0.031 18531
4771 1 19 . 1 1 17 17 THR CA C 17 59.800 59.800 60.547 -0.747 18531
4772 1 19 . 1 1 17 17 THR CB C 17 73.100 73.100 72.252 0.848 18531
4773 1 19 . 1 1 17 17 THR H H 17 8.140 8.140 8.279 -0.139 18531
4774 1 19 . 1 1 18 18 THR N N 18 115.100 115.100 113.446 1.654 18531
4775 1 19 . 1 1 18 18 THR HA H 18 4.640 4.640 4.521 0.119 18531
4776 1 19 . 1 1 18 18 THR CA C 18 61.900 61.900 61.112 0.788 18531
4777 1 19 . 1 1 18 18 THR CB C 18 70.000 70.000 69.481 0.520 18531
4778 1 19 . 1 1 18 18 THR H H 18 8.930 8.930 8.620 0.310 18531
4779 1 19 . 1 1 19 19 LYS N N 19 124.300 124.300 120.798 3.502 18531
4780 1 19 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.294 0.036 18531
4781 1 19 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.521 -0.521 18531
4782 1 19 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.494 -0.694 18531
4783 1 19 . 1 1 19 19 LYS H H 19 7.950 7.950 8.306 -0.356 18531
4784 1 19 . 1 1 20 20 ALA N N 20 124.600 124.600 127.531 -2.931 18531
4785 1 19 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.743 0.037 18531
4786 1 19 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.783 -0.883 18531
4787 1 19 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.364 2.436 18531
4788 1 19 . 1 1 20 20 ALA H H 20 9.110 9.110 8.346 0.764 18531
4789 1 19 . 1 1 21 21 VAL N N 21 115.300 115.300 115.637 -0.337 18531
4790 1 19 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.252 -0.142 18531
4791 1 19 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.242 0.058 18531
4792 1 19 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.501 0.699 18531
4793 1 19 . 1 1 21 21 VAL H H 21 8.480 8.480 8.505 -0.025 18531
4794 1 19 . 1 1 22 22 ASP N N 22 115.200 115.200 116.455 -1.255 18531
4795 1 19 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.646 0.064 18531
4796 1 19 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.300 -0.900 18531
4797 1 19 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.338 -0.138 18531
4798 1 19 . 1 1 22 22 ASP H H 22 7.310 7.310 7.478 -0.168 18531
4799 1 19 . 1 1 23 23 ALA N N 23 121.000 121.000 124.502 -3.502 18531
4800 1 19 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.478 -0.138 18531
4801 1 19 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.122 -0.222 18531
4802 1 19 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.564 -1.064 18531
4803 1 19 . 1 1 23 23 ALA H H 23 8.370 8.370 8.804 -0.434 18531
4804 1 19 . 1 1 24 24 GLU N N 24 118.900 118.900 118.555 0.345 18531
4805 1 19 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.898 -0.038 18531
4806 1 19 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.255 0.445 18531
4807 1 19 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.989 0.111 18531
4808 1 19 . 1 1 24 24 GLU H H 24 8.410 8.410 8.366 0.044 18531
4809 1 19 . 1 1 25 25 THR N N 25 117.400 117.400 117.244 0.156 18531
4810 1 19 . 1 1 25 25 THR HA H 25 3.670 3.670 3.791 -0.121 18531
4811 1 19 . 1 1 25 25 THR CA C 25 66.800 66.800 66.379 0.421 18531
4812 1 19 . 1 1 25 25 THR CB C 25 68.000 68.000 68.728 -0.728 18531
4813 1 19 . 1 1 25 25 THR H H 25 8.380 8.380 8.506 -0.126 18531
4814 1 19 . 1 1 26 26 ALA N N 26 125.100 125.100 122.767 2.333 18531
4815 1 19 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.776 -0.586 18531
4816 1 19 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.097 0.903 18531
4817 1 19 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.679 -0.379 18531
4818 1 19 . 1 1 26 26 ALA H H 26 7.220 7.220 7.847 -0.627 18531
4819 1 19 . 1 1 27 27 GLU N N 27 117.400 117.400 118.552 -1.152 18531
4820 1 19 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.630 -1.040 18531
4821 1 19 . 1 1 27 27 GLU CA C 27 59.700 59.700 58.908 0.792 18531
4822 1 19 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.349 -0.149 18531
4823 1 19 . 1 1 27 27 GLU H H 27 8.370 8.370 7.868 0.502 18531
4824 1 19 . 1 1 28 28 LYS N N 28 116.300 116.300 118.217 -1.917 18531
4825 1 19 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.959 -0.289 18531
4826 1 19 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.519 1.081 18531
4827 1 19 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.151 0.049 18531
4828 1 19 . 1 1 28 28 LYS H H 28 7.170 7.170 7.361 -0.191 18531
4829 1 19 . 1 1 29 29 ALA N N 29 122.000 122.000 120.892 1.108 18531
4830 1 19 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.064 0.026 18531
4831 1 19 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.368 0.332 18531
4832 1 19 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.110 -0.610 18531
4833 1 19 . 1 1 29 29 ALA H H 29 7.200 7.200 7.045 0.155 18531
4834 1 19 . 1 1 30 30 PHE N N 30 119.600 119.600 116.841 2.759 18531
4835 1 19 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.353 0.427 18531
4836 1 19 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.480 -2.880 18531
4837 1 19 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.397 -0.997 18531
4838 1 19 . 1 1 30 30 PHE H H 30 8.610 8.610 7.480 1.130 18531
4839 1 19 . 1 1 31 31 LYS N N 31 122.800 122.800 118.090 4.710 18531
4840 1 19 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.816 0.274 18531
4841 1 19 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.437 1.263 18531
4842 1 19 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.754 -0.154 18531
4843 1 19 . 1 1 31 31 LYS H H 31 9.030 9.030 7.504 1.526 18531
4844 1 19 . 1 1 32 32 GLN N N 32 119.600 119.600 119.103 0.497 18531
4845 1 19 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.188 -0.158 18531
4846 1 19 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.658 0.042 18531
4847 1 19 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.306 -1.206 18531
4848 1 19 . 1 1 32 32 GLN H H 32 7.510 7.510 7.386 0.124 18531
4849 1 19 . 1 1 33 33 TYR N N 33 120.400 120.400 121.890 -1.490 18531
4850 1 19 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.078 0.172 18531
4851 1 19 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.145 0.655 18531
4852 1 19 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.188 0.512 18531
4853 1 19 . 1 1 33 33 TYR H H 33 8.080 8.080 7.678 0.402 18531
4854 1 19 . 1 1 34 34 ALA N N 34 122.300 122.300 119.602 2.698 18531
4855 1 19 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.753 0.027 18531
4856 1 19 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.383 0.717 18531
4857 1 19 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.280 -0.581 18531
4858 1 19 . 1 1 34 34 ALA H H 34 9.210 9.210 8.042 1.168 18531
4859 1 19 . 1 1 35 35 ASN N N 35 117.700 117.700 117.351 0.349 18531
4860 1 19 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.466 -0.006 18531
4861 1 19 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.746 1.254 18531
4862 1 19 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.263 0.737 18531
4863 1 19 . 1 1 35 35 ASN H H 35 8.390 8.390 8.095 0.295 18531
4864 1 19 . 1 1 36 36 ASP N N 36 121.100 121.100 120.670 0.430 18531
4865 1 19 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.491 -0.131 18531
4866 1 19 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.801 -0.101 18531
4867 1 19 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.107 -1.107 18531
4868 1 19 . 1 1 36 36 ASP H H 36 8.830 8.830 8.642 0.188 18531
4869 1 19 . 1 1 37 37 ASN N N 37 115.200 115.200 115.146 0.054 18531
4870 1 19 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.881 -0.271 18531
4871 1 19 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.616 1.084 18531
4872 1 19 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.778 1.222 18531
4873 1 19 . 1 1 37 37 ASN H H 37 7.390 7.390 7.607 -0.217 18531
4874 1 19 . 1 1 38 38 GLY N N 38 108.200 108.200 108.114 0.086 18531
4875 1 19 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.119 0.281 18531
4876 1 19 . 1 1 38 38 GLY H H 38 7.800 7.800 8.239 -0.439 18531
4877 1 19 . 1 1 39 39 VAL N N 39 120.800 120.800 119.699 1.101 18531
4878 1 19 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.069 0.071 18531
4879 1 19 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.122 -0.422 18531
4880 1 19 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.266 1.034 18531
4881 1 19 . 1 1 39 39 VAL H H 39 8.120 8.120 7.988 0.132 18531
4882 1 19 . 1 1 40 40 ASP N N 40 128.000 128.000 127.818 0.182 18531
4883 1 19 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.784 0.106 18531
4884 1 19 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.907 -0.107 18531
4885 1 19 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.929 -0.829 18531
4886 1 19 . 1 1 40 40 ASP H H 40 8.770 8.770 8.388 0.382 18531
4887 1 19 . 1 1 41 41 GLY N N 41 107.100 107.100 109.432 -2.332 18531
4888 1 19 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.898 0.502 18531
4889 1 19 . 1 1 41 41 GLY H H 41 7.910 7.910 8.015 -0.105 18531
4890 1 19 . 1 1 42 42 VAL N N 42 120.300 120.300 122.048 -1.748 18531
4891 1 19 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.280 0.100 18531
4892 1 19 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.179 0.921 18531
4893 1 19 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.791 0.609 18531
4894 1 19 . 1 1 42 42 VAL H H 42 8.250 8.250 7.577 0.673 18531
4895 1 19 . 1 1 43 43 TRP N N 43 130.700 130.700 129.311 1.389 18531
4896 1 19 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.888 0.472 18531
4897 1 19 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.603 0.997 18531
4898 1 19 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.570 0.630 18531
4899 1 19 . 1 1 43 43 TRP H H 43 9.360 9.360 8.643 0.717 18531
4900 1 19 . 1 1 44 44 THR N N 44 114.500 114.500 118.751 -4.251 18531
4901 1 19 . 1 1 44 44 THR HA H 44 4.830 4.830 4.785 0.045 18531
4902 1 19 . 1 1 44 44 THR CA C 44 60.300 60.300 61.597 -1.297 18531
4903 1 19 . 1 1 44 44 THR CB C 44 72.100 72.100 70.221 1.879 18531
4904 1 19 . 1 1 44 44 THR H H 44 9.400 9.400 8.419 0.981 18531
4905 1 19 . 1 1 45 45 TYR N N 45 120.100 120.100 125.686 -5.586 18531
4906 1 19 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.722 0.248 18531
4907 1 19 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.297 0.703 18531
4908 1 19 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.922 1.678 18531
4909 1 19 . 1 1 45 45 TYR H H 45 8.580 8.580 8.287 0.293 18531
4910 1 19 . 1 1 46 46 ASP N N 46 128.300 128.300 122.698 5.602 18531
4911 1 19 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.414 0.166 18531
4912 1 19 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.019 -0.119 18531
4913 1 19 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.801 -0.701 18531
4914 1 19 . 1 1 46 46 ASP H H 46 7.580 7.580 8.316 -0.736 18531
4915 1 19 . 1 1 47 47 ASP N N 47 124.800 124.800 123.976 0.824 18531
4916 1 19 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.466 -0.356 18531
4917 1 19 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.897 -0.397 18531
4918 1 19 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.269 0.831 18531
4919 1 19 . 1 1 47 47 ASP H H 47 8.590 8.590 8.615 -0.025 18531
4920 1 19 . 1 1 48 48 ALA N N 48 119.700 119.700 121.502 -1.802 18531
4921 1 19 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.117 -0.027 18531
4922 1 19 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.432 0.568 18531
4923 1 19 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.666 -0.366 18531
4924 1 19 . 1 1 48 48 ALA H H 48 8.340 8.340 8.048 0.292 18531
4925 1 19 . 1 1 49 49 THR N N 49 103.200 103.200 111.629 -8.429 18531
4926 1 19 . 1 1 49 49 THR HA H 49 4.390 4.390 4.553 -0.163 18531
4927 1 19 . 1 1 49 49 THR CA C 49 60.200 60.200 60.286 -0.086 18531
4928 1 19 . 1 1 49 49 THR CB C 49 70.000 70.000 70.463 -0.463 18531
4929 1 19 . 1 1 49 49 THR H H 49 7.000 7.000 7.766 -0.766 18531
4930 1 19 . 1 1 50 50 LYS N N 50 123.100 123.100 119.042 4.058 18531
4931 1 19 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.899 -0.709 18531
4932 1 19 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.415 1.185 18531
4933 1 19 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.163 -4.562 18531
4934 1 19 . 1 1 50 50 LYS H H 50 7.860 7.860 8.356 -0.496 18531
4935 1 19 . 1 1 51 51 THR N N 51 111.200 111.200 116.405 -5.205 18531
4936 1 19 . 1 1 51 51 THR HA H 51 5.490 5.490 5.253 0.237 18531
4937 1 19 . 1 1 51 51 THR CA C 51 62.300 62.300 60.714 1.587 18531
4938 1 19 . 1 1 51 51 THR CB C 51 72.100 72.100 69.083 3.017 18531
4939 1 19 . 1 1 51 51 THR H H 51 7.390 7.390 7.924 -0.534 18531
4940 1 19 . 1 1 52 52 PHE N N 52 131.000 131.000 130.429 0.571 18531
4941 1 19 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.870 0.760 18531
4942 1 19 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.637 0.663 18531
4943 1 19 . 1 1 52 52 PHE CB C 52 42.600 42.600 39.596 3.003 18531
4944 1 19 . 1 1 52 52 PHE H H 52 10.390 10.390 9.615 0.775 18531
4945 1 19 . 1 1 53 53 THR N N 53 117.400 117.400 121.667 -4.267 18531
4946 1 19 . 1 1 53 53 THR HA H 53 5.270 5.270 4.637 0.633 18531
4947 1 19 . 1 1 53 53 THR CA C 53 61.200 61.200 62.035 -0.835 18531
4948 1 19 . 1 1 53 53 THR CB C 53 71.000 71.000 69.352 1.648 18531
4949 1 19 . 1 1 53 53 THR H H 53 9.180 9.180 8.346 0.834 18531
4950 1 19 . 1 1 54 54 VAL N N 54 123.000 123.000 128.272 -5.272 18531
4951 1 19 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.690 -0.230 18531
4952 1 19 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.080 -0.980 18531
4953 1 19 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.806 -1.506 18531
4954 1 19 . 1 1 54 54 VAL H H 54 8.280 8.280 8.649 -0.369 18531
4955 1 19 . 1 1 55 55 THR N N 55 123.900 123.900 125.380 -1.480 18531
4956 1 19 . 1 1 55 55 THR HA H 55 4.700 4.700 4.577 0.123 18531
4957 1 19 . 1 1 55 55 THR CA C 55 61.200 61.200 61.304 -0.104 18531
4958 1 19 . 1 1 55 55 THR CB C 55 70.700 70.700 69.200 1.500 18531
4959 1 19 . 1 1 55 55 THR H H 55 8.320 8.320 8.139 0.181 18531
4960 1 20 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.895 0.155 18531
4961 1 20 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.816 -0.216 18531
4962 1 20 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.894 -1.194 18531
4963 1 20 . 1 1 2 2 GLN H H 2 8.410 8.410 7.750 0.660 18531
4964 1 20 . 1 1 3 3 TYR N N 3 124.000 124.000 122.374 1.626 18531
4965 1 20 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.085 0.275 18531
4966 1 20 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.768 0.332 18531
4967 1 20 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.959 1.641 18531
4968 1 20 . 1 1 3 3 TYR H H 3 9.070 9.070 8.834 0.236 18531
4969 1 20 . 1 1 4 4 LYS N N 4 122.500 122.500 122.981 -0.481 18531
4970 1 20 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.741 0.479 18531
4971 1 20 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.619 0.381 18531
4972 1 20 . 1 1 4 4 LYS CB C 4 36.000 36.000 32.822 3.178 18531
4973 1 20 . 1 1 4 4 LYS H H 4 9.100 9.100 9.244 -0.144 18531
4974 1 20 . 1 1 5 5 LEU N N 5 126.400 126.400 129.691 -3.291 18531
4975 1 20 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.155 -0.185 18531
4976 1 20 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.981 -1.181 18531
4977 1 20 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.602 -1.002 18531
4978 1 20 . 1 1 5 5 LEU H H 5 8.620 8.620 8.023 0.597 18531
4979 1 20 . 1 1 6 6 VAL N N 6 127.000 127.000 126.687 0.313 18531
4980 1 20 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.892 -0.732 18531
4981 1 20 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.464 1.836 18531
4982 1 20 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.981 -2.281 18531
4983 1 20 . 1 1 6 6 VAL H H 6 9.190 9.190 9.229 -0.039 18531
4984 1 20 . 1 1 7 7 ILE N N 7 125.400 125.400 124.139 1.261 18531
4985 1 20 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.394 -0.304 18531
4986 1 20 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.645 0.055 18531
4987 1 20 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.361 0.639 18531
4988 1 20 . 1 1 7 7 ILE H H 7 8.800 8.800 8.362 0.438 18531
4989 1 20 . 1 1 8 8 ASN N N 8 128.900 128.900 125.777 3.123 18531
4990 1 20 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.944 0.336 18531
4991 1 20 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.841 -2.041 18531
4992 1 20 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.080 0.020 18531
4993 1 20 . 1 1 8 8 ASN H H 8 8.990 8.990 8.075 0.915 18531
4994 1 20 . 1 1 9 9 GLY N N 9 110.200 110.200 107.093 3.107 18531
4995 1 20 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.292 0.408 18531
4996 1 20 . 1 1 9 9 GLY H H 9 7.920 7.920 7.666 0.254 18531
4997 1 20 . 1 1 10 10 LYS N N 10 120.700 120.700 119.154 1.546 18531
4998 1 20 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.237 -0.177 18531
4999 1 20 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.500 0.700 18531
5000 1 20 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.857 0.043 18531
5001 1 20 . 1 1 10 10 LYS H H 10 9.520 9.520 8.534 0.986 18531
5002 1 20 . 1 1 11 11 THR N N 11 108.900 108.900 109.975 -1.075 18531
5003 1 20 . 1 1 11 11 THR HA H 11 4.360 4.360 4.283 0.077 18531
5004 1 20 . 1 1 11 11 THR CA C 11 62.000 62.000 61.788 0.212 18531
5005 1 20 . 1 1 11 11 THR CB C 11 69.800 69.800 69.657 0.143 18531
5006 1 20 . 1 1 11 11 THR H H 11 8.790 8.790 7.958 0.832 18531
5007 1 20 . 1 1 12 12 LEU N N 12 125.700 125.700 124.085 1.615 18531
5008 1 20 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.385 0.055 18531
5009 1 20 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.529 -0.529 18531
5010 1 20 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.887 0.413 18531
5011 1 20 . 1 1 12 12 LEU H H 12 7.580 7.580 7.920 -0.340 18531
5012 1 20 . 1 1 13 13 LYS N N 13 123.500 123.500 124.603 -1.103 18531
5013 1 20 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.184 -0.064 18531
5014 1 20 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.844 -1.944 18531
5015 1 20 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.931 0.869 18531
5016 1 20 . 1 1 13 13 LYS H H 13 8.140 8.140 8.463 -0.323 18531
5017 1 20 . 1 1 14 14 GLY N N 14 109.100 109.100 110.927 -1.827 18531
5018 1 20 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.499 -0.299 18531
5019 1 20 . 1 1 14 14 GLY H H 14 8.340 8.340 8.062 0.278 18531
5020 1 20 . 1 1 15 15 GLU N N 15 118.200 118.200 119.737 -1.537 18531
5021 1 20 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.112 0.488 18531
5022 1 20 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.739 -1.239 18531
5023 1 20 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.144 0.656 18531
5024 1 20 . 1 1 15 15 GLU H H 15 8.390 8.390 8.472 -0.082 18531
5025 1 20 . 1 1 16 16 THR N N 16 115.600 115.600 122.401 -6.801 18531
5026 1 20 . 1 1 16 16 THR HA H 16 4.730 4.730 4.609 0.121 18531
5027 1 20 . 1 1 16 16 THR CA C 16 60.600 60.600 61.903 -1.303 18531
5028 1 20 . 1 1 16 16 THR CB C 16 69.500 69.500 68.731 0.769 18531
5029 1 20 . 1 1 16 16 THR H H 16 8.820 8.820 9.178 -0.358 18531
5030 1 20 . 1 1 17 17 THR N N 17 111.800 111.800 118.847 -7.047 18531
5031 1 20 . 1 1 17 17 THR HA H 17 5.790 5.790 5.235 0.555 18531
5032 1 20 . 1 1 17 17 THR CA C 17 59.800 59.800 60.882 -1.082 18531
5033 1 20 . 1 1 17 17 THR CB C 17 73.100 73.100 70.388 2.712 18531
5034 1 20 . 1 1 17 17 THR H H 17 8.140 8.140 8.501 -0.361 18531
5035 1 20 . 1 1 18 18 THR N N 18 115.100 115.100 115.865 -0.765 18531
5036 1 20 . 1 1 18 18 THR HA H 18 4.640 4.640 4.544 0.096 18531
5037 1 20 . 1 1 18 18 THR CA C 18 61.900 61.900 60.715 1.185 18531
5038 1 20 . 1 1 18 18 THR CB C 18 70.000 70.000 70.123 -0.123 18531
5039 1 20 . 1 1 18 18 THR H H 18 8.930 8.930 8.473 0.457 18531
5040 1 20 . 1 1 19 19 LYS N N 19 124.300 124.300 119.784 4.516 18531
5041 1 20 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.961 0.369 18531
5042 1 20 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.838 0.162 18531
5043 1 20 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.695 -0.895 18531
5044 1 20 . 1 1 19 19 LYS H H 19 7.950 7.950 8.340 -0.390 18531
5045 1 20 . 1 1 20 20 ALA N N 20 124.600 124.600 122.946 1.654 18531
5046 1 20 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.496 0.284 18531
5047 1 20 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.507 -0.607 18531
5048 1 20 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.235 2.565 18531
5049 1 20 . 1 1 20 20 ALA H H 20 9.110 9.110 8.282 0.828 18531
5050 1 20 . 1 1 21 21 VAL N N 21 115.300 115.300 118.854 -3.554 18531
5051 1 20 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.865 0.245 18531
5052 1 20 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.692 -1.392 18531
5053 1 20 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.683 0.517 18531
5054 1 20 . 1 1 21 21 VAL H H 21 8.480 8.480 8.542 -0.062 18531
5055 1 20 . 1 1 22 22 ASP N N 22 115.200 115.200 114.410 0.790 18531
5056 1 20 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.875 -0.165 18531
5057 1 20 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.984 -0.584 18531
5058 1 20 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.505 0.695 18531
5059 1 20 . 1 1 22 22 ASP H H 22 7.310 7.310 7.688 -0.378 18531
5060 1 20 . 1 1 23 23 ALA N N 23 121.000 121.000 122.786 -1.786 18531
5061 1 20 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.605 -0.265 18531
5062 1 20 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.196 -0.296 18531
5063 1 20 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.603 -1.103 18531
5064 1 20 . 1 1 23 23 ALA H H 23 8.370 8.370 8.763 -0.393 18531
5065 1 20 . 1 1 24 24 GLU N N 24 118.900 118.900 117.640 1.260 18531
5066 1 20 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.958 -0.098 18531
5067 1 20 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.084 0.616 18531
5068 1 20 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.058 0.042 18531
5069 1 20 . 1 1 24 24 GLU H H 24 8.410 8.410 8.860 -0.450 18531
5070 1 20 . 1 1 25 25 THR N N 25 117.400 117.400 115.902 1.498 18531
5071 1 20 . 1 1 25 25 THR HA H 25 3.670 3.670 4.050 -0.380 18531
5072 1 20 . 1 1 25 25 THR CA C 25 66.800 66.800 65.785 1.015 18531
5073 1 20 . 1 1 25 25 THR CB C 25 68.000 68.000 68.747 -0.747 18531
5074 1 20 . 1 1 25 25 THR H H 25 8.380 8.380 7.726 0.654 18531
5075 1 20 . 1 1 26 26 ALA N N 26 125.100 125.100 123.666 1.434 18531
5076 1 20 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.510 -0.320 18531
5077 1 20 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.248 0.752 18531
5078 1 20 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.350 -0.050 18531
5079 1 20 . 1 1 26 26 ALA H H 26 7.220 7.220 7.454 -0.234 18531
5080 1 20 . 1 1 27 27 GLU N N 27 117.400 117.400 117.985 -0.585 18531
5081 1 20 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.666 -1.076 18531
5082 1 20 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.302 0.398 18531
5083 1 20 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.371 -0.171 18531
5084 1 20 . 1 1 27 27 GLU H H 27 8.370 8.370 8.363 0.007 18531
5085 1 20 . 1 1 28 28 LYS N N 28 116.300 116.300 119.007 -2.707 18531
5086 1 20 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.006 -0.336 18531
5087 1 20 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.746 0.854 18531
5088 1 20 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.556 -0.356 18531
5089 1 20 . 1 1 28 28 LYS H H 28 7.170 7.170 7.415 -0.245 18531
5090 1 20 . 1 1 29 29 ALA N N 29 122.000 122.000 121.866 0.134 18531
5091 1 20 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.943 0.147 18531
5092 1 20 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.699 0.001 18531
5093 1 20 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.224 -0.725 18531
5094 1 20 . 1 1 29 29 ALA H H 29 7.200 7.200 7.279 -0.079 18531
5095 1 20 . 1 1 30 30 PHE N N 30 119.600 119.600 116.544 3.056 18531
5096 1 20 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.190 0.590 18531
5097 1 20 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.937 -3.337 18531
5098 1 20 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.293 -0.893 18531
5099 1 20 . 1 1 30 30 PHE H H 30 8.610 8.610 8.204 0.406 18531
5100 1 20 . 1 1 31 31 LYS N N 31 122.800 122.800 117.166 5.634 18531
5101 1 20 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.220 -0.130 18531
5102 1 20 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.142 1.558 18531
5103 1 20 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.989 -0.389 18531
5104 1 20 . 1 1 31 31 LYS H H 31 9.030 9.030 7.505 1.525 18531
5105 1 20 . 1 1 32 32 GLN N N 32 119.600 119.600 119.471 0.129 18531
5106 1 20 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.171 -0.141 18531
5107 1 20 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.715 -0.015 18531
5108 1 20 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.872 -0.772 18531
5109 1 20 . 1 1 32 32 GLN H H 32 7.510 7.510 7.422 0.088 18531
5110 1 20 . 1 1 33 33 TYR N N 33 120.400 120.400 121.896 -1.496 18531
5111 1 20 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.004 0.246 18531
5112 1 20 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.763 0.037 18531
5113 1 20 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.391 0.310 18531
5114 1 20 . 1 1 33 33 TYR H H 33 8.080 8.080 7.717 0.363 18531
5115 1 20 . 1 1 34 34 ALA N N 34 122.300 122.300 119.422 2.878 18531
5116 1 20 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.833 -0.053 18531
5117 1 20 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.672 0.428 18531
5118 1 20 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.371 -0.671 18531
5119 1 20 . 1 1 34 34 ALA H H 34 9.210 9.210 8.107 1.103 18531
5120 1 20 . 1 1 35 35 ASN N N 35 117.700 117.700 117.300 0.400 18531
5121 1 20 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.452 0.008 18531
5122 1 20 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.115 0.885 18531
5123 1 20 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.050 0.950 18531
5124 1 20 . 1 1 35 35 ASN H H 35 8.390 8.390 8.073 0.317 18531
5125 1 20 . 1 1 36 36 ASP N N 36 121.100 121.100 119.385 1.715 18531
5126 1 20 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.447 -0.087 18531
5127 1 20 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.600 0.100 18531
5128 1 20 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.765 -0.765 18531
5129 1 20 . 1 1 36 36 ASP H H 36 8.830 8.830 8.554 0.276 18531
5130 1 20 . 1 1 37 37 ASN N N 37 115.200 115.200 114.176 1.024 18531
5131 1 20 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.735 -0.125 18531
5132 1 20 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.894 0.806 18531
5133 1 20 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.393 0.607 18531
5134 1 20 . 1 1 37 37 ASN H H 37 7.390 7.390 7.624 -0.234 18531
5135 1 20 . 1 1 38 38 GLY N N 38 108.200 108.200 108.997 -0.797 18531
5136 1 20 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.645 0.755 18531
5137 1 20 . 1 1 38 38 GLY H H 38 7.800 7.800 8.167 -0.367 18531
5138 1 20 . 1 1 39 39 VAL N N 39 120.800 120.800 119.657 1.143 18531
5139 1 20 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.469 -0.329 18531
5140 1 20 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.778 0.922 18531
5141 1 20 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.896 1.404 18531
5142 1 20 . 1 1 39 39 VAL H H 39 8.120 8.120 8.041 0.079 18531
5143 1 20 . 1 1 40 40 ASP N N 40 128.000 128.000 126.696 1.304 18531
5144 1 20 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.743 0.147 18531
5145 1 20 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.465 0.335 18531
5146 1 20 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.231 -1.131 18531
5147 1 20 . 1 1 40 40 ASP H H 40 8.770 8.770 8.049 0.721 18531
5148 1 20 . 1 1 41 41 GLY N N 41 107.100 107.100 107.565 -0.465 18531
5149 1 20 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.997 0.403 18531
5150 1 20 . 1 1 41 41 GLY H H 41 7.910 7.910 7.878 0.032 18531
5151 1 20 . 1 1 42 42 VAL N N 42 120.300 120.300 122.249 -1.949 18531
5152 1 20 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.178 0.202 18531
5153 1 20 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.767 0.333 18531
5154 1 20 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.694 0.706 18531
5155 1 20 . 1 1 42 42 VAL H H 42 8.250 8.250 7.699 0.551 18531
5156 1 20 . 1 1 43 43 TRP N N 43 130.700 130.700 129.532 1.168 18531
5157 1 20 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.835 0.525 18531
5158 1 20 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.721 0.879 18531
5159 1 20 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.366 -0.166 18531
5160 1 20 . 1 1 43 43 TRP H H 43 9.360 9.360 8.671 0.689 18531
5161 1 20 . 1 1 44 44 THR N N 44 114.500 114.500 117.152 -2.652 18531
5162 1 20 . 1 1 44 44 THR HA H 44 4.830 4.830 4.868 -0.038 18531
5163 1 20 . 1 1 44 44 THR CA C 44 60.300 60.300 61.079 -0.779 18531
5164 1 20 . 1 1 44 44 THR CB C 44 72.100 72.100 71.112 0.988 18531
5165 1 20 . 1 1 44 44 THR H H 44 9.400 9.400 9.086 0.314 18531
5166 1 20 . 1 1 45 45 TYR N N 45 120.100 120.100 120.365 -0.265 18531
5167 1 20 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.746 0.224 18531
5168 1 20 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.082 -0.082 18531
5169 1 20 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.980 1.620 18531
5170 1 20 . 1 1 45 45 TYR H H 45 8.580 8.580 8.129 0.451 18531
5171 1 20 . 1 1 46 46 ASP N N 46 128.300 128.300 121.930 6.370 18531
5172 1 20 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.450 0.130 18531
5173 1 20 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.846 0.054 18531
5174 1 20 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.190 -1.090 18531
5175 1 20 . 1 1 46 46 ASP H H 46 7.580 7.580 8.388 -0.808 18531
5176 1 20 . 1 1 47 47 ASP N N 47 124.800 124.800 123.995 0.805 18531
5177 1 20 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.396 -0.286 18531
5178 1 20 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.447 0.053 18531
5179 1 20 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.106 0.994 18531
5180 1 20 . 1 1 47 47 ASP H H 47 8.590 8.590 8.396 0.194 18531
5181 1 20 . 1 1 48 48 ALA N N 48 119.700 119.700 120.762 -1.062 18531
5182 1 20 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.075 0.015 18531
5183 1 20 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.166 0.834 18531
5184 1 20 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.106 -0.806 18531
5185 1 20 . 1 1 48 48 ALA H H 48 8.340 8.340 7.959 0.381 18531
5186 1 20 . 1 1 49 49 THR N N 49 103.200 103.200 110.626 -7.426 18531
5187 1 20 . 1 1 49 49 THR HA H 49 4.390 4.390 4.521 -0.131 18531
5188 1 20 . 1 1 49 49 THR CA C 49 60.200 60.200 60.306 -0.106 18531
5189 1 20 . 1 1 49 49 THR CB C 49 70.000 70.000 70.732 -0.732 18531
5190 1 20 . 1 1 49 49 THR H H 49 7.000 7.000 7.455 -0.455 18531
5191 1 20 . 1 1 50 50 LYS N N 50 123.100 123.100 118.480 4.620 18531
5192 1 20 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.899 -0.709 18531
5193 1 20 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.098 0.502 18531
5194 1 20 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.612 -5.012 18531
5195 1 20 . 1 1 50 50 LYS H H 50 7.860 7.860 8.398 -0.538 18531
5196 1 20 . 1 1 51 51 THR N N 51 111.200 111.200 115.953 -4.753 18531
5197 1 20 . 1 1 51 51 THR HA H 51 5.490 5.490 5.087 0.403 18531
5198 1 20 . 1 1 51 51 THR CA C 51 62.300 62.300 61.010 1.290 18531
5199 1 20 . 1 1 51 51 THR CB C 51 72.100 72.100 70.197 1.903 18531
5200 1 20 . 1 1 51 51 THR H H 51 7.390 7.390 7.959 -0.569 18531
5201 1 20 . 1 1 52 52 PHE N N 52 131.000 131.000 125.696 5.304 18531
5202 1 20 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.342 0.288 18531
5203 1 20 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.892 1.408 18531
5204 1 20 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.796 -0.196 18531
5205 1 20 . 1 1 52 52 PHE H H 52 10.390 10.390 9.342 1.048 18531
5206 1 20 . 1 1 53 53 THR N N 53 117.400 117.400 118.680 -1.280 18531
5207 1 20 . 1 1 53 53 THR HA H 53 5.270 5.270 5.355 -0.085 18531
5208 1 20 . 1 1 53 53 THR CA C 53 61.200 61.200 61.427 -0.227 18531
5209 1 20 . 1 1 53 53 THR CB C 53 71.000 71.000 71.754 -0.754 18531
5210 1 20 . 1 1 53 53 THR H H 53 9.180 9.180 8.587 0.593 18531
5211 1 20 . 1 1 54 54 VAL N N 54 123.000 123.000 124.524 -1.524 18531
5212 1 20 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.472 -0.012 18531
5213 1 20 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.674 -1.574 18531
5214 1 20 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.929 -1.629 18531
5215 1 20 . 1 1 54 54 VAL H H 54 8.280 8.280 8.027 0.253 18531
5216 1 20 . 1 1 55 55 THR N N 55 123.900 123.900 123.255 0.645 18531
5217 1 20 . 1 1 55 55 THR HA H 55 4.700 4.700 4.577 0.123 18531
5218 1 20 . 1 1 55 55 THR CA C 55 61.200 61.200 59.978 1.222 18531
5219 1 20 . 1 1 55 55 THR CB C 55 70.700 70.700 70.339 0.361 18531
5220 1 20 . 1 1 55 55 THR H H 55 8.320 8.320 8.364 -0.044 18531
5221 1 21 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.886 0.164 18531
5222 1 21 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.345 1.255 18531
5223 1 21 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.415 0.285 18531
5224 1 21 . 1 1 2 2 GLN H H 2 8.410 8.410 8.063 0.347 18531
5225 1 21 . 1 1 3 3 TYR N N 3 124.000 124.000 122.527 1.473 18531
5226 1 21 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.217 0.143 18531
5227 1 21 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.469 -0.370 18531
5228 1 21 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.411 3.189 18531
5229 1 21 . 1 1 3 3 TYR H H 3 9.070 9.070 8.160 0.910 18531
5230 1 21 . 1 1 4 4 LYS N N 4 122.500 122.500 121.480 1.020 18531
5231 1 21 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.858 0.362 18531
5232 1 21 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.837 0.163 18531
5233 1 21 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.235 0.765 18531
5234 1 21 . 1 1 4 4 LYS H H 4 9.100 9.100 9.115 -0.015 18531
5235 1 21 . 1 1 5 5 LEU N N 5 126.400 126.400 127.110 -0.710 18531
5236 1 21 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.131 -0.161 18531
5237 1 21 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.388 -0.588 18531
5238 1 21 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.460 -3.860 18531
5239 1 21 . 1 1 5 5 LEU H H 5 8.620 8.620 8.022 0.598 18531
5240 1 21 . 1 1 6 6 VAL N N 6 127.000 127.000 124.874 2.126 18531
5241 1 21 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.341 -0.181 18531
5242 1 21 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.517 0.783 18531
5243 1 21 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.967 -1.267 18531
5244 1 21 . 1 1 6 6 VAL H H 6 9.190 9.190 7.838 1.352 18531
5245 1 21 . 1 1 7 7 ILE N N 7 125.400 125.400 128.611 -3.211 18531
5246 1 21 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.180 -0.090 18531
5247 1 21 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.894 -0.194 18531
5248 1 21 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.636 0.364 18531
5249 1 21 . 1 1 7 7 ILE H H 7 8.800 8.800 8.418 0.382 18531
5250 1 21 . 1 1 8 8 ASN N N 8 128.900 128.900 127.528 1.372 18531
5251 1 21 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.001 0.279 18531
5252 1 21 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.325 -1.525 18531
5253 1 21 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.689 -0.589 18531
5254 1 21 . 1 1 8 8 ASN H H 8 8.990 8.990 8.058 0.932 18531
5255 1 21 . 1 1 9 9 GLY N N 9 110.200 110.200 107.092 3.108 18531
5256 1 21 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.318 0.382 18531
5257 1 21 . 1 1 9 9 GLY H H 9 7.920 7.920 8.191 -0.271 18531
5258 1 21 . 1 1 10 10 LYS N N 10 120.700 120.700 122.128 -1.428 18531
5259 1 21 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.004 0.056 18531
5260 1 21 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.609 0.591 18531
5261 1 21 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.522 0.378 18531
5262 1 21 . 1 1 10 10 LYS H H 10 9.520 9.520 8.672 0.848 18531
5263 1 21 . 1 1 11 11 THR N N 11 108.900 108.900 108.670 0.230 18531
5264 1 21 . 1 1 11 11 THR HA H 11 4.360 4.360 4.284 0.076 18531
5265 1 21 . 1 1 11 11 THR CA C 11 62.000 62.000 62.659 -0.659 18531
5266 1 21 . 1 1 11 11 THR CB C 11 69.800 69.800 69.263 0.537 18531
5267 1 21 . 1 1 11 11 THR H H 11 8.790 8.790 7.490 1.300 18531
5268 1 21 . 1 1 12 12 LEU N N 12 125.700 125.700 123.784 1.916 18531
5269 1 21 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.603 -0.163 18531
5270 1 21 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.045 0.955 18531
5271 1 21 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.571 -0.271 18531
5272 1 21 . 1 1 12 12 LEU H H 12 7.580 7.580 7.766 -0.186 18531
5273 1 21 . 1 1 13 13 LYS N N 13 123.500 123.500 125.229 -1.729 18531
5274 1 21 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.859 0.261 18531
5275 1 21 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.365 -1.465 18531
5276 1 21 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.301 -0.501 18531
5277 1 21 . 1 1 13 13 LYS H H 13 8.140 8.140 8.523 -0.383 18531
5278 1 21 . 1 1 14 14 GLY N N 14 109.100 109.100 111.497 -2.397 18531
5279 1 21 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.904 -0.704 18531
5280 1 21 . 1 1 14 14 GLY H H 14 8.340 8.340 8.679 -0.339 18531
5281 1 21 . 1 1 15 15 GLU N N 15 118.200 118.200 118.965 -0.765 18531
5282 1 21 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.643 0.957 18531
5283 1 21 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.653 -1.153 18531
5284 1 21 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.127 0.673 18531
5285 1 21 . 1 1 15 15 GLU H H 15 8.390 8.390 8.268 0.122 18531
5286 1 21 . 1 1 16 16 THR N N 16 115.600 115.600 114.808 0.792 18531
5287 1 21 . 1 1 16 16 THR HA H 16 4.730 4.730 4.606 0.124 18531
5288 1 21 . 1 1 16 16 THR CA C 16 60.600 60.600 61.761 -1.161 18531
5289 1 21 . 1 1 16 16 THR CB C 16 69.500 69.500 69.397 0.103 18531
5290 1 21 . 1 1 16 16 THR H H 16 8.820 8.820 8.366 0.454 18531
5291 1 21 . 1 1 17 17 THR N N 17 111.800 111.800 115.220 -3.420 18531
5292 1 21 . 1 1 17 17 THR HA H 17 5.790 5.790 5.196 0.594 18531
5293 1 21 . 1 1 17 17 THR CA C 17 59.800 59.800 60.857 -1.057 18531
5294 1 21 . 1 1 17 17 THR CB C 17 73.100 73.100 72.062 1.038 18531
5295 1 21 . 1 1 17 17 THR H H 17 8.140 8.140 8.298 -0.158 18531
5296 1 21 . 1 1 18 18 THR N N 18 115.100 115.100 113.712 1.388 18531
5297 1 21 . 1 1 18 18 THR HA H 18 4.640 4.640 4.538 0.102 18531
5298 1 21 . 1 1 18 18 THR CA C 18 61.900 61.900 61.419 0.481 18531
5299 1 21 . 1 1 18 18 THR CB C 18 70.000 70.000 69.084 0.916 18531
5300 1 21 . 1 1 18 18 THR H H 18 8.930 8.930 8.475 0.455 18531
5301 1 21 . 1 1 19 19 LYS N N 19 124.300 124.300 120.202 4.098 18531
5302 1 21 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.894 0.436 18531
5303 1 21 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.839 -0.839 18531
5304 1 21 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.712 -0.912 18531
5305 1 21 . 1 1 19 19 LYS H H 19 7.950 7.950 8.235 -0.285 18531
5306 1 21 . 1 1 20 20 ALA N N 20 124.600 124.600 127.175 -2.575 18531
5307 1 21 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.786 -0.006 18531
5308 1 21 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.690 -0.789 18531
5309 1 21 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.557 2.243 18531
5310 1 21 . 1 1 20 20 ALA H H 20 9.110 9.110 9.097 0.013 18531
5311 1 21 . 1 1 21 21 VAL N N 21 115.300 115.300 120.036 -4.736 18531
5312 1 21 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.917 0.193 18531
5313 1 21 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.105 -1.805 18531
5314 1 21 . 1 1 21 21 VAL CB C 21 32.200 32.200 30.878 1.322 18531
5315 1 21 . 1 1 21 21 VAL H H 21 8.480 8.480 8.679 -0.199 18531
5316 1 21 . 1 1 22 22 ASP N N 22 115.200 115.200 113.137 2.063 18531
5317 1 21 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.893 -0.183 18531
5318 1 21 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.478 -0.078 18531
5319 1 21 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.702 0.498 18531
5320 1 21 . 1 1 22 22 ASP H H 22 7.310 7.310 7.709 -0.399 18531
5321 1 21 . 1 1 23 23 ALA N N 23 121.000 121.000 121.469 -0.469 18531
5322 1 21 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.733 -0.393 18531
5323 1 21 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.903 -0.003 18531
5324 1 21 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.583 -1.083 18531
5325 1 21 . 1 1 23 23 ALA H H 23 8.370 8.370 8.752 -0.382 18531
5326 1 21 . 1 1 24 24 GLU N N 24 118.900 118.900 118.967 -0.067 18531
5327 1 21 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.870 -0.010 18531
5328 1 21 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.984 0.716 18531
5329 1 21 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.241 0.859 18531
5330 1 21 . 1 1 24 24 GLU H H 24 8.410 8.410 8.464 -0.054 18531
5331 1 21 . 1 1 25 25 THR N N 25 117.400 117.400 115.965 1.435 18531
5332 1 21 . 1 1 25 25 THR HA H 25 3.670 3.670 4.044 -0.374 18531
5333 1 21 . 1 1 25 25 THR CA C 25 66.800 66.800 66.136 0.664 18531
5334 1 21 . 1 1 25 25 THR CB C 25 68.000 68.000 68.409 -0.409 18531
5335 1 21 . 1 1 25 25 THR H H 25 8.380 8.380 8.780 -0.400 18531
5336 1 21 . 1 1 26 26 ALA N N 26 125.100 125.100 123.854 1.246 18531
5337 1 21 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.891 -0.701 18531
5338 1 21 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.182 0.818 18531
5339 1 21 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.730 -0.430 18531
5340 1 21 . 1 1 26 26 ALA H H 26 7.220 7.220 7.237 -0.017 18531
5341 1 21 . 1 1 27 27 GLU N N 27 117.400 117.400 118.493 -1.093 18531
5342 1 21 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.755 -1.165 18531
5343 1 21 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.006 -0.306 18531
5344 1 21 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.381 -0.181 18531
5345 1 21 . 1 1 27 27 GLU H H 27 8.370 8.370 8.209 0.161 18531
5346 1 21 . 1 1 28 28 LYS N N 28 116.300 116.300 118.868 -2.568 18531
5347 1 21 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.971 -0.301 18531
5348 1 21 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.047 0.552 18531
5349 1 21 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.803 0.397 18531
5350 1 21 . 1 1 28 28 LYS H H 28 7.170 7.170 7.509 -0.339 18531
5351 1 21 . 1 1 29 29 ALA N N 29 122.000 122.000 122.871 -0.871 18531
5352 1 21 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.030 0.060 18531
5353 1 21 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.741 -0.041 18531
5354 1 21 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.200 -0.699 18531
5355 1 21 . 1 1 29 29 ALA H H 29 7.200 7.200 7.276 -0.076 18531
5356 1 21 . 1 1 30 30 PHE N N 30 119.600 119.600 117.502 2.098 18531
5357 1 21 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.131 0.649 18531
5358 1 21 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.022 -4.422 18531
5359 1 21 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.354 -0.954 18531
5360 1 21 . 1 1 30 30 PHE H H 30 8.610 8.610 8.411 0.199 18531
5361 1 21 . 1 1 31 31 LYS N N 31 122.800 122.800 117.719 5.081 18531
5362 1 21 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.551 0.539 18531
5363 1 21 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.263 1.437 18531
5364 1 21 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.705 -0.105 18531
5365 1 21 . 1 1 31 31 LYS H H 31 9.030 9.030 7.728 1.302 18531
5366 1 21 . 1 1 32 32 GLN N N 32 119.600 119.600 119.911 -0.311 18531
5367 1 21 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.967 0.063 18531
5368 1 21 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.270 -0.570 18531
5369 1 21 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.337 -0.237 18531
5370 1 21 . 1 1 32 32 GLN H H 32 7.510 7.510 7.972 -0.462 18531
5371 1 21 . 1 1 33 33 TYR N N 33 120.400 120.400 119.167 1.233 18531
5372 1 21 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.372 -0.122 18531
5373 1 21 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.673 1.127 18531
5374 1 21 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.256 0.444 18531
5375 1 21 . 1 1 33 33 TYR H H 33 8.080 8.080 7.975 0.105 18531
5376 1 21 . 1 1 34 34 ALA N N 34 122.300 122.300 122.711 -0.411 18531
5377 1 21 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.083 -0.303 18531
5378 1 21 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.261 0.839 18531
5379 1 21 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.622 -0.922 18531
5380 1 21 . 1 1 34 34 ALA H H 34 9.210 9.210 8.092 1.118 18531
5381 1 21 . 1 1 35 35 ASN N N 35 117.700 117.700 117.240 0.460 18531
5382 1 21 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.474 -0.014 18531
5383 1 21 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.925 1.075 18531
5384 1 21 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.049 0.951 18531
5385 1 21 . 1 1 35 35 ASN H H 35 8.390 8.390 7.922 0.468 18531
5386 1 21 . 1 1 36 36 ASP N N 36 121.100 121.100 120.603 0.497 18531
5387 1 21 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.380 -0.020 18531
5388 1 21 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.869 -0.169 18531
5389 1 21 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.157 -0.157 18531
5390 1 21 . 1 1 36 36 ASP H H 36 8.830 8.830 8.211 0.619 18531
5391 1 21 . 1 1 37 37 ASN N N 37 115.200 115.200 114.111 1.089 18531
5392 1 21 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.722 -0.112 18531
5393 1 21 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.053 0.647 18531
5394 1 21 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.230 0.770 18531
5395 1 21 . 1 1 37 37 ASN H H 37 7.390 7.390 7.515 -0.125 18531
5396 1 21 . 1 1 38 38 GLY N N 38 108.200 108.200 108.711 -0.511 18531
5397 1 21 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.123 0.277 18531
5398 1 21 . 1 1 38 38 GLY H H 38 7.800 7.800 8.135 -0.335 18531
5399 1 21 . 1 1 39 39 VAL N N 39 120.800 120.800 120.969 -0.169 18531
5400 1 21 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.741 -0.601 18531
5401 1 21 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.746 -0.046 18531
5402 1 21 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.148 1.152 18531
5403 1 21 . 1 1 39 39 VAL H H 39 8.120 8.120 7.997 0.123 18531
5404 1 21 . 1 1 40 40 ASP N N 40 128.000 128.000 127.573 0.427 18531
5405 1 21 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.165 -0.275 18531
5406 1 21 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.427 0.373 18531
5407 1 21 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.905 -1.805 18531
5408 1 21 . 1 1 40 40 ASP H H 40 8.770 8.770 8.067 0.703 18531
5409 1 21 . 1 1 41 41 GLY N N 41 107.100 107.100 108.628 -1.528 18531
5410 1 21 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.272 0.128 18531
5411 1 21 . 1 1 41 41 GLY H H 41 7.910 7.910 8.343 -0.433 18531
5412 1 21 . 1 1 42 42 VAL N N 42 120.300 120.300 123.378 -3.078 18531
5413 1 21 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.372 0.008 18531
5414 1 21 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.255 -0.155 18531
5415 1 21 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.782 0.618 18531
5416 1 21 . 1 1 42 42 VAL H H 42 8.250 8.250 8.236 0.014 18531
5417 1 21 . 1 1 43 43 TRP N N 43 130.700 130.700 129.163 1.537 18531
5418 1 21 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.723 -0.363 18531
5419 1 21 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.042 1.558 18531
5420 1 21 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.974 -1.774 18531
5421 1 21 . 1 1 43 43 TRP H H 43 9.360 9.360 8.737 0.623 18531
5422 1 21 . 1 1 44 44 THR N N 44 114.500 114.500 112.695 1.805 18531
5423 1 21 . 1 1 44 44 THR HA H 44 4.830 4.830 4.730 0.100 18531
5424 1 21 . 1 1 44 44 THR CA C 44 60.300 60.300 60.591 -0.291 18531
5425 1 21 . 1 1 44 44 THR CB C 44 72.100 72.100 71.584 0.516 18531
5426 1 21 . 1 1 44 44 THR H H 44 9.400 9.400 8.831 0.569 18531
5427 1 21 . 1 1 45 45 TYR N N 45 120.100 120.100 122.925 -2.825 18531
5428 1 21 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.274 0.696 18531
5429 1 21 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.059 -0.059 18531
5430 1 21 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.201 0.399 18531
5431 1 21 . 1 1 45 45 TYR H H 45 8.580 8.580 8.468 0.112 18531
5432 1 21 . 1 1 46 46 ASP N N 46 128.300 128.300 128.946 -0.646 18531
5433 1 21 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.507 0.073 18531
5434 1 21 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.097 -0.197 18531
5435 1 21 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.740 1.360 18531
5436 1 21 . 1 1 46 46 ASP H H 46 7.580 7.580 7.816 -0.236 18531
5437 1 21 . 1 1 47 47 ASP N N 47 124.800 124.800 125.202 -0.402 18531
5438 1 21 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.345 -0.235 18531
5439 1 21 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.745 -0.245 18531
5440 1 21 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.354 1.746 18531
5441 1 21 . 1 1 47 47 ASP H H 47 8.590 8.590 8.138 0.452 18531
5442 1 21 . 1 1 48 48 ALA N N 48 119.700 119.700 123.009 -3.309 18531
5443 1 21 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.083 0.007 18531
5444 1 21 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.660 0.341 18531
5445 1 21 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.833 -0.533 18531
5446 1 21 . 1 1 48 48 ALA H H 48 8.340 8.340 8.154 0.186 18531
5447 1 21 . 1 1 49 49 THR N N 49 103.200 103.200 108.076 -4.876 18531
5448 1 21 . 1 1 49 49 THR HA H 49 4.390 4.390 4.557 -0.167 18531
5449 1 21 . 1 1 49 49 THR CA C 49 60.200 60.200 60.930 -0.730 18531
5450 1 21 . 1 1 49 49 THR CB C 49 70.000 70.000 69.305 0.695 18531
5451 1 21 . 1 1 49 49 THR H H 49 7.000 7.000 7.720 -0.720 18531
5452 1 21 . 1 1 50 50 LYS N N 50 123.100 123.100 119.949 3.151 18531
5453 1 21 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.978 0.212 18531
5454 1 21 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.662 -1.062 18531
5455 1 21 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.252 -0.652 18531
5456 1 21 . 1 1 50 50 LYS H H 50 7.860 7.860 7.782 0.078 18531
5457 1 21 . 1 1 51 51 THR N N 51 111.200 111.200 114.959 -3.759 18531
5458 1 21 . 1 1 51 51 THR HA H 51 5.490 5.490 5.426 0.064 18531
5459 1 21 . 1 1 51 51 THR CA C 51 62.300 62.300 61.638 0.662 18531
5460 1 21 . 1 1 51 51 THR CB C 51 72.100 72.100 71.509 0.591 18531
5461 1 21 . 1 1 51 51 THR H H 51 7.390 7.390 7.366 0.024 18531
5462 1 21 . 1 1 52 52 PHE N N 52 131.000 131.000 125.971 5.029 18531
5463 1 21 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.230 0.400 18531
5464 1 21 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.936 1.364 18531
5465 1 21 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.391 0.209 18531
5466 1 21 . 1 1 52 52 PHE H H 52 10.390 10.390 9.428 0.962 18531
5467 1 21 . 1 1 53 53 THR N N 53 117.400 117.400 116.550 0.850 18531
5468 1 21 . 1 1 53 53 THR HA H 53 5.270 5.270 4.447 0.823 18531
5469 1 21 . 1 1 53 53 THR CA C 53 61.200 61.200 61.904 -0.704 18531
5470 1 21 . 1 1 53 53 THR CB C 53 71.000 71.000 70.893 0.107 18531
5471 1 21 . 1 1 53 53 THR H H 53 9.180 9.180 8.416 0.764 18531
5472 1 21 . 1 1 54 54 VAL N N 54 123.000 123.000 127.071 -4.071 18531
5473 1 21 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.710 0.750 18531
5474 1 21 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.339 -1.239 18531
5475 1 21 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.854 -0.554 18531
5476 1 21 . 1 1 54 54 VAL H H 54 8.280 8.280 7.681 0.599 18531
5477 1 21 . 1 1 55 55 THR N N 55 123.900 123.900 122.870 1.030 18531
5478 1 21 . 1 1 55 55 THR HA H 55 4.700 4.700 4.583 0.117 18531
5479 1 21 . 1 1 55 55 THR CA C 55 61.200 61.200 59.368 1.832 18531
5480 1 21 . 1 1 55 55 THR CB C 55 70.700 70.700 70.581 0.119 18531
5481 1 21 . 1 1 55 55 THR H H 55 8.320 8.320 7.823 0.497 18531
5482 1 22 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.363 0.687 18531
5483 1 22 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.856 -0.256 18531
5484 1 22 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.143 -1.443 18531
5485 1 22 . 1 1 2 2 GLN H H 2 8.410 8.410 8.038 0.372 18531
5486 1 22 . 1 1 3 3 TYR N N 3 124.000 124.000 124.735 -0.735 18531
5487 1 22 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.188 0.172 18531
5488 1 22 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.850 0.250 18531
5489 1 22 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.514 3.086 18531
5490 1 22 . 1 1 3 3 TYR H H 3 9.070 9.070 9.430 -0.360 18531
5491 1 22 . 1 1 4 4 LYS N N 4 122.500 122.500 123.640 -1.140 18531
5492 1 22 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.052 0.168 18531
5493 1 22 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.640 0.360 18531
5494 1 22 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.099 -0.099 18531
5495 1 22 . 1 1 4 4 LYS H H 4 9.100 9.100 8.760 0.340 18531
5496 1 22 . 1 1 5 5 LEU N N 5 126.400 126.400 125.669 0.731 18531
5497 1 22 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.034 -0.064 18531
5498 1 22 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.674 -0.874 18531
5499 1 22 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.935 -4.335 18531
5500 1 22 . 1 1 5 5 LEU H H 5 8.620 8.620 8.921 -0.301 18531
5501 1 22 . 1 1 6 6 VAL N N 6 127.000 127.000 124.163 2.837 18531
5502 1 22 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.313 -0.153 18531
5503 1 22 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.469 0.831 18531
5504 1 22 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.697 -0.997 18531
5505 1 22 . 1 1 6 6 VAL H H 6 9.190 9.190 8.148 1.042 18531
5506 1 22 . 1 1 7 7 ILE N N 7 125.400 125.400 129.049 -3.649 18531
5507 1 22 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.100 -0.010 18531
5508 1 22 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.261 -0.561 18531
5509 1 22 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.822 1.178 18531
5510 1 22 . 1 1 7 7 ILE H H 7 8.800 8.800 8.615 0.185 18531
5511 1 22 . 1 1 8 8 ASN N N 8 128.900 128.900 127.567 1.333 18531
5512 1 22 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.990 0.290 18531
5513 1 22 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.341 -1.541 18531
5514 1 22 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.477 -0.377 18531
5515 1 22 . 1 1 8 8 ASN H H 8 8.990 8.990 8.087 0.903 18531
5516 1 22 . 1 1 9 9 GLY N N 9 110.200 110.200 108.116 2.084 18531
5517 1 22 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.309 0.391 18531
5518 1 22 . 1 1 9 9 GLY H H 9 7.920 7.920 8.034 -0.114 18531
5519 1 22 . 1 1 10 10 LYS N N 10 120.700 120.700 121.774 -1.074 18531
5520 1 22 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.035 0.025 18531
5521 1 22 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.800 0.400 18531
5522 1 22 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.427 0.473 18531
5523 1 22 . 1 1 10 10 LYS H H 10 9.520 9.520 8.664 0.856 18531
5524 1 22 . 1 1 11 11 THR N N 11 108.900 108.900 108.068 0.832 18531
5525 1 22 . 1 1 11 11 THR HA H 11 4.360 4.360 4.333 0.027 18531
5526 1 22 . 1 1 11 11 THR CA C 11 62.000 62.000 62.341 -0.341 18531
5527 1 22 . 1 1 11 11 THR CB C 11 69.800 69.800 69.263 0.537 18531
5528 1 22 . 1 1 11 11 THR H H 11 8.790 8.790 7.514 1.276 18531
5529 1 22 . 1 1 12 12 LEU N N 12 125.700 125.700 123.772 1.928 18531
5530 1 22 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.652 -0.212 18531
5531 1 22 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.010 0.990 18531
5532 1 22 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.379 -0.079 18531
5533 1 22 . 1 1 12 12 LEU H H 12 7.580 7.580 7.750 -0.170 18531
5534 1 22 . 1 1 13 13 LYS N N 13 123.500 123.500 125.746 -2.246 18531
5535 1 22 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.261 -0.141 18531
5536 1 22 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.169 -1.269 18531
5537 1 22 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.482 -0.682 18531
5538 1 22 . 1 1 13 13 LYS H H 13 8.140 8.140 8.505 -0.365 18531
5539 1 22 . 1 1 14 14 GLY N N 14 109.100 109.100 111.084 -1.984 18531
5540 1 22 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.767 -0.567 18531
5541 1 22 . 1 1 14 14 GLY H H 14 8.340 8.340 8.948 -0.608 18531
5542 1 22 . 1 1 15 15 GLU N N 15 118.200 118.200 119.048 -0.848 18531
5543 1 22 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.907 0.693 18531
5544 1 22 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.453 -0.953 18531
5545 1 22 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.359 0.441 18531
5546 1 22 . 1 1 15 15 GLU H H 15 8.390 8.390 8.471 -0.081 18531
5547 1 22 . 1 1 16 16 THR N N 16 115.600 115.600 113.663 1.937 18531
5548 1 22 . 1 1 16 16 THR HA H 16 4.730 4.730 4.612 0.118 18531
5549 1 22 . 1 1 16 16 THR CA C 16 60.600 60.600 61.901 -1.301 18531
5550 1 22 . 1 1 16 16 THR CB C 16 69.500 69.500 70.069 -0.569 18531
5551 1 22 . 1 1 16 16 THR H H 16 8.820 8.820 8.435 0.385 18531
5552 1 22 . 1 1 17 17 THR N N 17 111.800 111.800 115.057 -3.257 18531
5553 1 22 . 1 1 17 17 THR HA H 17 5.790 5.790 5.529 0.261 18531
5554 1 22 . 1 1 17 17 THR CA C 17 59.800 59.800 60.533 -0.733 18531
5555 1 22 . 1 1 17 17 THR CB C 17 73.100 73.100 72.418 0.682 18531
5556 1 22 . 1 1 17 17 THR H H 17 8.140 8.140 8.250 -0.110 18531
5557 1 22 . 1 1 18 18 THR N N 18 115.100 115.100 114.450 0.650 18531
5558 1 22 . 1 1 18 18 THR HA H 18 4.640 4.640 4.646 -0.006 18531
5559 1 22 . 1 1 18 18 THR CA C 18 61.900 61.900 61.596 0.304 18531
5560 1 22 . 1 1 18 18 THR CB C 18 70.000 70.000 71.077 -1.077 18531
5561 1 22 . 1 1 18 18 THR H H 18 8.930 8.930 9.070 -0.140 18531
5562 1 22 . 1 1 19 19 LYS N N 19 124.300 124.300 121.328 2.972 18531
5563 1 22 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.753 0.577 18531
5564 1 22 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.463 -0.463 18531
5565 1 22 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.612 -0.812 18531
5566 1 22 . 1 1 19 19 LYS H H 19 7.950 7.950 8.408 -0.458 18531
5567 1 22 . 1 1 20 20 ALA N N 20 124.600 124.600 126.101 -1.501 18531
5568 1 22 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.755 0.025 18531
5569 1 22 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.456 -0.556 18531
5570 1 22 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.667 2.133 18531
5571 1 22 . 1 1 20 20 ALA H H 20 9.110 9.110 8.511 0.599 18531
5572 1 22 . 1 1 21 21 VAL N N 21 115.300 115.300 118.001 -2.701 18531
5573 1 22 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.904 0.206 18531
5574 1 22 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.314 -1.014 18531
5575 1 22 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.508 0.692 18531
5576 1 22 . 1 1 21 21 VAL H H 21 8.480 8.480 8.797 -0.317 18531
5577 1 22 . 1 1 22 22 ASP N N 22 115.200 115.200 114.078 1.122 18531
5578 1 22 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.906 -0.196 18531
5579 1 22 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.179 0.221 18531
5580 1 22 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.560 -0.360 18531
5581 1 22 . 1 1 22 22 ASP H H 22 7.310 7.310 7.696 -0.386 18531
5582 1 22 . 1 1 23 23 ALA N N 23 121.000 121.000 120.642 0.358 18531
5583 1 22 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.601 -0.261 18531
5584 1 22 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.198 0.702 18531
5585 1 22 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.630 -1.130 18531
5586 1 22 . 1 1 23 23 ALA H H 23 8.370 8.370 8.678 -0.308 18531
5587 1 22 . 1 1 24 24 GLU N N 24 118.900 118.900 120.209 -1.309 18531
5588 1 22 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.020 -0.160 18531
5589 1 22 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.682 1.018 18531
5590 1 22 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.224 -0.123 18531
5591 1 22 . 1 1 24 24 GLU H H 24 8.410 8.410 8.104 0.306 18531
5592 1 22 . 1 1 25 25 THR N N 25 117.400 117.400 116.140 1.260 18531
5593 1 22 . 1 1 25 25 THR HA H 25 3.670 3.670 3.961 -0.291 18531
5594 1 22 . 1 1 25 25 THR CA C 25 66.800 66.800 65.773 1.027 18531
5595 1 22 . 1 1 25 25 THR CB C 25 68.000 68.000 68.856 -0.856 18531
5596 1 22 . 1 1 25 25 THR H H 25 8.380 8.380 8.880 -0.500 18531
5597 1 22 . 1 1 26 26 ALA N N 26 125.100 125.100 122.155 2.945 18531
5598 1 22 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.959 -0.769 18531
5599 1 22 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.365 0.634 18531
5600 1 22 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.046 -0.746 18531
5601 1 22 . 1 1 26 26 ALA H H 26 7.220 7.220 7.447 -0.227 18531
5602 1 22 . 1 1 27 27 GLU N N 27 117.400 117.400 118.327 -0.927 18531
5603 1 22 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.765 -1.175 18531
5604 1 22 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.756 -0.056 18531
5605 1 22 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.322 -0.122 18531
5606 1 22 . 1 1 27 27 GLU H H 27 8.370 8.370 8.013 0.357 18531
5607 1 22 . 1 1 28 28 LYS N N 28 116.300 116.300 118.857 -2.557 18531
5608 1 22 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.998 -0.328 18531
5609 1 22 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.170 0.430 18531
5610 1 22 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.080 0.120 18531
5611 1 22 . 1 1 28 28 LYS H H 28 7.170 7.170 7.505 -0.335 18531
5612 1 22 . 1 1 29 29 ALA N N 29 122.000 122.000 122.034 -0.034 18531
5613 1 22 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.212 -0.122 18531
5614 1 22 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.393 0.307 18531
5615 1 22 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.165 -0.665 18531
5616 1 22 . 1 1 29 29 ALA H H 29 7.200 7.200 7.416 -0.216 18531
5617 1 22 . 1 1 30 30 PHE N N 30 119.600 119.600 118.453 1.147 18531
5618 1 22 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.281 0.499 18531
5619 1 22 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.986 -3.386 18531
5620 1 22 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.923 -1.523 18531
5621 1 22 . 1 1 30 30 PHE H H 30 8.610 8.610 8.292 0.318 18531
5622 1 22 . 1 1 31 31 LYS N N 31 122.800 122.800 118.696 4.104 18531
5623 1 22 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.572 0.518 18531
5624 1 22 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.796 0.904 18531
5625 1 22 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.425 0.175 18531
5626 1 22 . 1 1 31 31 LYS H H 31 9.030 9.030 8.304 0.726 18531
5627 1 22 . 1 1 32 32 GLN N N 32 119.600 119.600 118.832 0.768 18531
5628 1 22 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.960 0.070 18531
5629 1 22 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.303 -0.603 18531
5630 1 22 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.515 -0.415 18531
5631 1 22 . 1 1 32 32 GLN H H 32 7.510 7.510 7.634 -0.124 18531
5632 1 22 . 1 1 33 33 TYR N N 33 120.400 120.400 119.586 0.814 18531
5633 1 22 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.157 0.093 18531
5634 1 22 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.019 0.781 18531
5635 1 22 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.252 0.448 18531
5636 1 22 . 1 1 33 33 TYR H H 33 8.080 8.080 7.849 0.231 18531
5637 1 22 . 1 1 34 34 ALA N N 34 122.300 122.300 121.808 0.492 18531
5638 1 22 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.192 -0.412 18531
5639 1 22 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.250 0.850 18531
5640 1 22 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.624 -0.924 18531
5641 1 22 . 1 1 34 34 ALA H H 34 9.210 9.210 8.096 1.114 18531
5642 1 22 . 1 1 35 35 ASN N N 35 117.700 117.700 117.720 -0.020 18531
5643 1 22 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.479 -0.019 18531
5644 1 22 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.827 1.173 18531
5645 1 22 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.084 0.916 18531
5646 1 22 . 1 1 35 35 ASN H H 35 8.390 8.390 8.168 0.222 18531
5647 1 22 . 1 1 36 36 ASP N N 36 121.100 121.100 120.785 0.315 18531
5648 1 22 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.413 -0.053 18531
5649 1 22 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.769 -0.069 18531
5650 1 22 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.320 -0.320 18531
5651 1 22 . 1 1 36 36 ASP H H 36 8.830 8.830 8.711 0.119 18531
5652 1 22 . 1 1 37 37 ASN N N 37 115.200 115.200 114.127 1.073 18531
5653 1 22 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.713 -0.103 18531
5654 1 22 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.607 0.093 18531
5655 1 22 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.440 0.560 18531
5656 1 22 . 1 1 37 37 ASN H H 37 7.390 7.390 7.585 -0.195 18531
5657 1 22 . 1 1 38 38 GLY N N 38 108.200 108.200 107.037 1.163 18531
5658 1 22 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.410 0.990 18531
5659 1 22 . 1 1 38 38 GLY H H 38 7.800 7.800 7.943 -0.143 18531
5660 1 22 . 1 1 39 39 VAL N N 39 120.800 120.800 121.273 -0.473 18531
5661 1 22 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.500 -0.360 18531
5662 1 22 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.029 -0.329 18531
5663 1 22 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.144 1.156 18531
5664 1 22 . 1 1 39 39 VAL H H 39 8.120 8.120 8.018 0.102 18531
5665 1 22 . 1 1 40 40 ASP N N 40 128.000 128.000 127.446 0.554 18531
5666 1 22 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.989 -0.099 18531
5667 1 22 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.821 -0.021 18531
5668 1 22 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.893 -1.793 18531
5669 1 22 . 1 1 40 40 ASP H H 40 8.770 8.770 8.453 0.317 18531
5670 1 22 . 1 1 41 41 GLY N N 41 107.100 107.100 108.648 -1.548 18531
5671 1 22 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.187 0.213 18531
5672 1 22 . 1 1 41 41 GLY H H 41 7.910 7.910 8.371 -0.461 18531
5673 1 22 . 1 1 42 42 VAL N N 42 120.300 120.300 123.422 -3.122 18531
5674 1 22 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.351 0.029 18531
5675 1 22 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.251 -0.151 18531
5676 1 22 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.350 1.050 18531
5677 1 22 . 1 1 42 42 VAL H H 42 8.250 8.250 8.196 0.054 18531
5678 1 22 . 1 1 43 43 TRP N N 43 130.700 130.700 129.081 1.619 18531
5679 1 22 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.608 -0.248 18531
5680 1 22 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.024 1.576 18531
5681 1 22 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.267 -2.067 18531
5682 1 22 . 1 1 43 43 TRP H H 43 9.360 9.360 8.723 0.637 18531
5683 1 22 . 1 1 44 44 THR N N 44 114.500 114.500 113.729 0.771 18531
5684 1 22 . 1 1 44 44 THR HA H 44 4.830 4.830 4.768 0.062 18531
5685 1 22 . 1 1 44 44 THR CA C 44 60.300 60.300 60.845 -0.545 18531
5686 1 22 . 1 1 44 44 THR CB C 44 72.100 72.100 71.491 0.609 18531
5687 1 22 . 1 1 44 44 THR H H 44 9.400 9.400 8.864 0.536 18531
5688 1 22 . 1 1 45 45 TYR N N 45 120.100 120.100 121.186 -1.086 18531
5689 1 22 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.401 0.569 18531
5690 1 22 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.351 -0.351 18531
5691 1 22 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.858 -0.258 18531
5692 1 22 . 1 1 45 45 TYR H H 45 8.580 8.580 8.372 0.208 18531
5693 1 22 . 1 1 46 46 ASP N N 46 128.300 128.300 128.022 0.278 18531
5694 1 22 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.471 0.109 18531
5695 1 22 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.771 0.129 18531
5696 1 22 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.456 1.644 18531
5697 1 22 . 1 1 46 46 ASP H H 46 7.580 7.580 7.770 -0.190 18531
5698 1 22 . 1 1 47 47 ASP N N 47 124.800 124.800 125.089 -0.289 18531
5699 1 22 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.180 -0.070 18531
5700 1 22 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.576 -0.076 18531
5701 1 22 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.222 1.878 18531
5702 1 22 . 1 1 47 47 ASP H H 47 8.590 8.590 8.068 0.522 18531
5703 1 22 . 1 1 48 48 ALA N N 48 119.700 119.700 123.240 -3.540 18531
5704 1 22 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.077 0.013 18531
5705 1 22 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.472 0.528 18531
5706 1 22 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.933 -0.633 18531
5707 1 22 . 1 1 48 48 ALA H H 48 8.340 8.340 7.944 0.396 18531
5708 1 22 . 1 1 49 49 THR N N 49 103.200 103.200 106.573 -3.373 18531
5709 1 22 . 1 1 49 49 THR HA H 49 4.390 4.390 4.501 -0.111 18531
5710 1 22 . 1 1 49 49 THR CA C 49 60.200 60.200 60.996 -0.796 18531
5711 1 22 . 1 1 49 49 THR CB C 49 70.000 70.000 69.775 0.225 18531
5712 1 22 . 1 1 49 49 THR H H 49 7.000 7.000 7.680 -0.680 18531
5713 1 22 . 1 1 50 50 LYS N N 50 123.100 123.100 119.142 3.958 18531
5714 1 22 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.074 0.116 18531
5715 1 22 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.579 -0.979 18531
5716 1 22 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.068 -1.468 18531
5717 1 22 . 1 1 50 50 LYS H H 50 7.860 7.860 7.665 0.195 18531
5718 1 22 . 1 1 51 51 THR N N 51 111.200 111.200 115.059 -3.859 18531
5719 1 22 . 1 1 51 51 THR HA H 51 5.490 5.490 5.257 0.233 18531
5720 1 22 . 1 1 51 51 THR CA C 51 62.300 62.300 61.766 0.534 18531
5721 1 22 . 1 1 51 51 THR CB C 51 72.100 72.100 70.435 1.665 18531
5722 1 22 . 1 1 51 51 THR H H 51 7.390 7.390 7.371 0.019 18531
5723 1 22 . 1 1 52 52 PHE N N 52 131.000 131.000 127.322 3.678 18531
5724 1 22 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.063 0.567 18531
5725 1 22 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.615 0.685 18531
5726 1 22 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.306 1.294 18531
5727 1 22 . 1 1 52 52 PHE H H 52 10.390 10.390 9.307 1.083 18531
5728 1 22 . 1 1 53 53 THR N N 53 117.400 117.400 115.145 2.255 18531
5729 1 22 . 1 1 53 53 THR HA H 53 5.270 5.270 4.468 0.802 18531
5730 1 22 . 1 1 53 53 THR CA C 53 61.200 61.200 61.728 -0.528 18531
5731 1 22 . 1 1 53 53 THR CB C 53 71.000 71.000 71.202 -0.202 18531
5732 1 22 . 1 1 53 53 THR H H 53 9.180 9.180 8.525 0.655 18531
5733 1 22 . 1 1 54 54 VAL N N 54 123.000 123.000 126.341 -3.341 18531
5734 1 22 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.992 0.468 18531
5735 1 22 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.016 -0.916 18531
5736 1 22 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.243 -0.943 18531
5737 1 22 . 1 1 54 54 VAL H H 54 8.280 8.280 7.704 0.576 18531
5738 1 22 . 1 1 55 55 THR N N 55 123.900 123.900 123.180 0.720 18531
5739 1 22 . 1 1 55 55 THR HA H 55 4.700 4.700 4.662 0.038 18531
5740 1 22 . 1 1 55 55 THR CA C 55 61.200 61.200 60.585 0.615 18531
5741 1 22 . 1 1 55 55 THR CB C 55 70.700 70.700 70.893 -0.193 18531
5742 1 22 . 1 1 55 55 THR H H 55 8.320 8.320 7.865 0.455 18531
5743 1 23 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.877 0.173 18531
5744 1 23 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.462 1.138 18531
5745 1 23 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.248 0.452 18531
5746 1 23 . 1 1 2 2 GLN H H 2 8.410 8.410 8.099 0.311 18531
5747 1 23 . 1 1 3 3 TYR N N 3 124.000 124.000 123.518 0.482 18531
5748 1 23 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.135 0.225 18531
5749 1 23 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.143 -0.043 18531
5750 1 23 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.670 1.929 18531
5751 1 23 . 1 1 3 3 TYR H H 3 9.070 9.070 8.971 0.099 18531
5752 1 23 . 1 1 4 4 LYS N N 4 122.500 122.500 121.854 0.646 18531
5753 1 23 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.979 0.240 18531
5754 1 23 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.279 -0.279 18531
5755 1 23 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.572 -0.572 18531
5756 1 23 . 1 1 4 4 LYS H H 4 9.100 9.100 8.567 0.533 18531
5757 1 23 . 1 1 5 5 LEU N N 5 126.400 126.400 125.804 0.596 18531
5758 1 23 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.774 0.196 18531
5759 1 23 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.282 -0.482 18531
5760 1 23 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.670 -4.070 18531
5761 1 23 . 1 1 5 5 LEU H H 5 8.620 8.620 8.613 0.007 18531
5762 1 23 . 1 1 6 6 VAL N N 6 127.000 127.000 124.155 2.845 18531
5763 1 23 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.315 -0.155 18531
5764 1 23 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.817 0.483 18531
5765 1 23 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.165 -0.465 18531
5766 1 23 . 1 1 6 6 VAL H H 6 9.190 9.190 8.126 1.064 18531
5767 1 23 . 1 1 7 7 ILE N N 7 125.400 125.400 128.747 -3.347 18531
5768 1 23 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.074 0.016 18531
5769 1 23 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.244 -0.544 18531
5770 1 23 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.199 0.801 18531
5771 1 23 . 1 1 7 7 ILE H H 7 8.800 8.800 8.677 0.123 18531
5772 1 23 . 1 1 8 8 ASN N N 8 128.900 128.900 127.591 1.309 18531
5773 1 23 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.004 0.276 18531
5774 1 23 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.300 -1.500 18531
5775 1 23 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.933 -0.833 18531
5776 1 23 . 1 1 8 8 ASN H H 8 8.990 8.990 8.027 0.963 18531
5777 1 23 . 1 1 9 9 GLY N N 9 110.200 110.200 108.095 2.105 18531
5778 1 23 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.383 0.317 18531
5779 1 23 . 1 1 9 9 GLY H H 9 7.920 7.920 8.160 -0.240 18531
5780 1 23 . 1 1 10 10 LYS N N 10 120.700 120.700 121.930 -1.230 18531
5781 1 23 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.081 -0.021 18531
5782 1 23 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.921 0.279 18531
5783 1 23 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.508 0.392 18531
5784 1 23 . 1 1 10 10 LYS H H 10 9.520 9.520 8.683 0.837 18531
5785 1 23 . 1 1 11 11 THR N N 11 108.900 108.900 109.207 -0.307 18531
5786 1 23 . 1 1 11 11 THR HA H 11 4.360 4.360 4.339 0.021 18531
5787 1 23 . 1 1 11 11 THR CA C 11 62.000 62.000 62.586 -0.586 18531
5788 1 23 . 1 1 11 11 THR CB C 11 69.800 69.800 69.477 0.323 18531
5789 1 23 . 1 1 11 11 THR H H 11 8.790 8.790 8.045 0.745 18531
5790 1 23 . 1 1 12 12 LEU N N 12 125.700 125.700 123.952 1.748 18531
5791 1 23 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.600 -0.160 18531
5792 1 23 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.310 0.689 18531
5793 1 23 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.412 -0.112 18531
5794 1 23 . 1 1 12 12 LEU H H 12 7.580 7.580 7.743 -0.163 18531
5795 1 23 . 1 1 13 13 LYS N N 13 123.500 123.500 125.861 -2.361 18531
5796 1 23 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.019 0.101 18531
5797 1 23 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.403 -1.503 18531
5798 1 23 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.167 -0.367 18531
5799 1 23 . 1 1 13 13 LYS H H 13 8.140 8.140 8.526 -0.386 18531
5800 1 23 . 1 1 14 14 GLY N N 14 109.100 109.100 111.585 -2.485 18531
5801 1 23 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.435 -0.235 18531
5802 1 23 . 1 1 14 14 GLY H H 14 8.340 8.340 8.789 -0.449 18531
5803 1 23 . 1 1 15 15 GLU N N 15 118.200 118.200 119.065 -0.865 18531
5804 1 23 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.637 0.963 18531
5805 1 23 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.958 -1.458 18531
5806 1 23 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.391 0.409 18531
5807 1 23 . 1 1 15 15 GLU H H 15 8.390 8.390 8.403 -0.013 18531
5808 1 23 . 1 1 16 16 THR N N 16 115.600 115.600 117.166 -1.566 18531
5809 1 23 . 1 1 16 16 THR HA H 16 4.730 4.730 4.847 -0.117 18531
5810 1 23 . 1 1 16 16 THR CA C 16 60.600 60.600 60.507 0.093 18531
5811 1 23 . 1 1 16 16 THR CB C 16 69.500 69.500 69.854 -0.354 18531
5812 1 23 . 1 1 16 16 THR H H 16 8.820 8.820 8.402 0.418 18531
5813 1 23 . 1 1 17 17 THR N N 17 111.800 111.800 114.231 -2.431 18531
5814 1 23 . 1 1 17 17 THR HA H 17 5.790 5.790 5.147 0.643 18531
5815 1 23 . 1 1 17 17 THR CA C 17 59.800 59.800 60.776 -0.976 18531
5816 1 23 . 1 1 17 17 THR CB C 17 73.100 73.100 71.983 1.117 18531
5817 1 23 . 1 1 17 17 THR H H 17 8.140 8.140 8.262 -0.122 18531
5818 1 23 . 1 1 18 18 THR N N 18 115.100 115.100 113.861 1.239 18531
5819 1 23 . 1 1 18 18 THR HA H 18 4.640 4.640 4.554 0.086 18531
5820 1 23 . 1 1 18 18 THR CA C 18 61.900 61.900 60.927 0.973 18531
5821 1 23 . 1 1 18 18 THR CB C 18 70.000 70.000 69.260 0.740 18531
5822 1 23 . 1 1 18 18 THR H H 18 8.930 8.930 8.498 0.432 18531
5823 1 23 . 1 1 19 19 LYS N N 19 124.300 124.300 121.620 2.680 18531
5824 1 23 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.884 0.446 18531
5825 1 23 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.519 -0.519 18531
5826 1 23 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.958 -0.158 18531
5827 1 23 . 1 1 19 19 LYS H H 19 7.950 7.950 8.257 -0.307 18531
5828 1 23 . 1 1 20 20 ALA N N 20 124.600 124.600 125.852 -1.252 18531
5829 1 23 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.698 0.082 18531
5830 1 23 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.016 -0.116 18531
5831 1 23 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.647 2.153 18531
5832 1 23 . 1 1 20 20 ALA H H 20 9.110 9.110 8.482 0.628 18531
5833 1 23 . 1 1 21 21 VAL N N 21 115.300 115.300 119.866 -4.566 18531
5834 1 23 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.728 0.382 18531
5835 1 23 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.328 -1.028 18531
5836 1 23 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.615 0.585 18531
5837 1 23 . 1 1 21 21 VAL H H 21 8.480 8.480 8.885 -0.405 18531
5838 1 23 . 1 1 22 22 ASP N N 22 115.200 115.200 112.861 2.339 18531
5839 1 23 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.904 -0.194 18531
5840 1 23 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.367 0.033 18531
5841 1 23 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.211 -0.010 18531
5842 1 23 . 1 1 22 22 ASP H H 22 7.310 7.310 7.641 -0.331 18531
5843 1 23 . 1 1 23 23 ALA N N 23 121.000 121.000 120.521 0.479 18531
5844 1 23 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.742 -0.402 18531
5845 1 23 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.787 0.113 18531
5846 1 23 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.430 -0.930 18531
5847 1 23 . 1 1 23 23 ALA H H 23 8.370 8.370 8.699 -0.329 18531
5848 1 23 . 1 1 24 24 GLU N N 24 118.900 118.900 119.249 -0.349 18531
5849 1 23 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.948 -0.088 18531
5850 1 23 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.226 0.474 18531
5851 1 23 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.335 -0.235 18531
5852 1 23 . 1 1 24 24 GLU H H 24 8.410 8.410 8.261 0.149 18531
5853 1 23 . 1 1 25 25 THR N N 25 117.400 117.400 115.238 2.162 18531
5854 1 23 . 1 1 25 25 THR HA H 25 3.670 3.670 3.993 -0.323 18531
5855 1 23 . 1 1 25 25 THR CA C 25 66.800 66.800 66.150 0.650 18531
5856 1 23 . 1 1 25 25 THR CB C 25 68.000 68.000 68.624 -0.624 18531
5857 1 23 . 1 1 25 25 THR H H 25 8.380 8.380 8.908 -0.528 18531
5858 1 23 . 1 1 26 26 ALA N N 26 125.100 125.100 123.286 1.814 18531
5859 1 23 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.116 -0.926 18531
5860 1 23 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.149 0.851 18531
5861 1 23 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.207 -0.908 18531
5862 1 23 . 1 1 26 26 ALA H H 26 7.220 7.220 7.329 -0.109 18531
5863 1 23 . 1 1 27 27 GLU N N 27 117.400 117.400 119.048 -1.648 18531
5864 1 23 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.751 -1.161 18531
5865 1 23 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.297 0.403 18531
5866 1 23 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.347 -0.147 18531
5867 1 23 . 1 1 27 27 GLU H H 27 8.370 8.370 7.923 0.447 18531
5868 1 23 . 1 1 28 28 LYS N N 28 116.300 116.300 118.498 -2.198 18531
5869 1 23 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.069 -0.399 18531
5870 1 23 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.748 0.852 18531
5871 1 23 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.330 -0.129 18531
5872 1 23 . 1 1 28 28 LYS H H 28 7.170 7.170 7.389 -0.219 18531
5873 1 23 . 1 1 29 29 ALA N N 29 122.000 122.000 123.163 -1.163 18531
5874 1 23 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.096 -0.006 18531
5875 1 23 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.612 0.088 18531
5876 1 23 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.346 -0.846 18531
5877 1 23 . 1 1 29 29 ALA H H 29 7.200 7.200 7.256 -0.056 18531
5878 1 23 . 1 1 30 30 PHE N N 30 119.600 119.600 117.529 2.071 18531
5879 1 23 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.129 0.651 18531
5880 1 23 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.666 -4.066 18531
5881 1 23 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.499 -1.099 18531
5882 1 23 . 1 1 30 30 PHE H H 30 8.610 8.610 8.569 0.041 18531
5883 1 23 . 1 1 31 31 LYS N N 31 122.800 122.800 116.947 5.853 18531
5884 1 23 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.499 0.591 18531
5885 1 23 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.495 1.205 18531
5886 1 23 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.701 -0.101 18531
5887 1 23 . 1 1 31 31 LYS H H 31 9.030 9.030 7.521 1.509 18531
5888 1 23 . 1 1 32 32 GLN N N 32 119.600 119.600 119.315 0.285 18531
5889 1 23 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.974 0.056 18531
5890 1 23 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.485 -0.785 18531
5891 1 23 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.285 -0.184 18531
5892 1 23 . 1 1 32 32 GLN H H 32 7.510 7.510 8.008 -0.498 18531
5893 1 23 . 1 1 33 33 TYR N N 33 120.400 120.400 118.948 1.452 18531
5894 1 23 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.232 0.018 18531
5895 1 23 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.837 0.963 18531
5896 1 23 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.129 0.571 18531
5897 1 23 . 1 1 33 33 TYR H H 33 8.080 8.080 7.911 0.169 18531
5898 1 23 . 1 1 34 34 ALA N N 34 122.300 122.300 123.001 -0.701 18531
5899 1 23 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.191 -0.411 18531
5900 1 23 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.940 1.160 18531
5901 1 23 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.815 -1.115 18531
5902 1 23 . 1 1 34 34 ALA H H 34 9.210 9.210 7.982 1.228 18531
5903 1 23 . 1 1 35 35 ASN N N 35 117.700 117.700 117.180 0.520 18531
5904 1 23 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.471 -0.011 18531
5905 1 23 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.590 1.409 18531
5906 1 23 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.194 0.806 18531
5907 1 23 . 1 1 35 35 ASN H H 35 8.390 8.390 8.032 0.358 18531
5908 1 23 . 1 1 36 36 ASP N N 36 121.100 121.100 120.950 0.150 18531
5909 1 23 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.418 -0.058 18531
5910 1 23 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.021 -0.321 18531
5911 1 23 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.964 -0.964 18531
5912 1 23 . 1 1 36 36 ASP H H 36 8.830 8.830 8.641 0.189 18531
5913 1 23 . 1 1 37 37 ASN N N 37 115.200 115.200 114.698 0.502 18531
5914 1 23 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.732 -0.122 18531
5915 1 23 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.087 0.612 18531
5916 1 23 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.304 0.696 18531
5917 1 23 . 1 1 37 37 ASN H H 37 7.390 7.390 7.613 -0.223 18531
5918 1 23 . 1 1 38 38 GLY N N 38 108.200 108.200 107.133 1.067 18531
5919 1 23 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.663 0.737 18531
5920 1 23 . 1 1 38 38 GLY H H 38 7.800 7.800 7.774 0.026 18531
5921 1 23 . 1 1 39 39 VAL N N 39 120.800 120.800 121.663 -0.863 18531
5922 1 23 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.041 0.099 18531
5923 1 23 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.189 -0.489 18531
5924 1 23 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.007 1.294 18531
5925 1 23 . 1 1 39 39 VAL H H 39 8.120 8.120 7.903 0.217 18531
5926 1 23 . 1 1 40 40 ASP N N 40 128.000 128.000 126.160 1.840 18531
5927 1 23 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.076 -0.186 18531
5928 1 23 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.544 0.256 18531
5929 1 23 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.615 -1.515 18531
5930 1 23 . 1 1 40 40 ASP H H 40 8.770 8.770 8.111 0.659 18531
5931 1 23 . 1 1 41 41 GLY N N 41 107.100 107.100 108.449 -1.349 18531
5932 1 23 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.164 0.236 18531
5933 1 23 . 1 1 41 41 GLY H H 41 7.910 7.910 8.368 -0.458 18531
5934 1 23 . 1 1 42 42 VAL N N 42 120.300 120.300 123.217 -2.917 18531
5935 1 23 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.336 0.044 18531
5936 1 23 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.310 -0.210 18531
5937 1 23 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.595 0.805 18531
5938 1 23 . 1 1 42 42 VAL H H 42 8.250 8.250 8.260 -0.010 18531
5939 1 23 . 1 1 43 43 TRP N N 43 130.700 130.700 129.152 1.548 18531
5940 1 23 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.550 -0.190 18531
5941 1 23 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.202 1.398 18531
5942 1 23 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.783 -1.583 18531
5943 1 23 . 1 1 43 43 TRP H H 43 9.360 9.360 8.661 0.699 18531
5944 1 23 . 1 1 44 44 THR N N 44 114.500 114.500 113.824 0.676 18531
5945 1 23 . 1 1 44 44 THR HA H 44 4.830 4.830 4.757 0.073 18531
5946 1 23 . 1 1 44 44 THR CA C 44 60.300 60.300 60.526 -0.226 18531
5947 1 23 . 1 1 44 44 THR CB C 44 72.100 72.100 72.031 0.069 18531
5948 1 23 . 1 1 44 44 THR H H 44 9.400 9.400 8.490 0.910 18531
5949 1 23 . 1 1 45 45 TYR N N 45 120.100 120.100 123.926 -3.826 18531
5950 1 23 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.712 0.258 18531
5951 1 23 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.504 0.496 18531
5952 1 23 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.040 0.560 18531
5953 1 23 . 1 1 45 45 TYR H H 45 8.580 8.580 8.620 -0.040 18531
5954 1 23 . 1 1 46 46 ASP N N 46 128.300 128.300 128.853 -0.553 18531
5955 1 23 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.516 0.064 18531
5956 1 23 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.214 -0.313 18531
5957 1 23 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.868 1.232 18531
5958 1 23 . 1 1 46 46 ASP H H 46 7.580 7.580 7.932 -0.352 18531
5959 1 23 . 1 1 47 47 ASP N N 47 124.800 124.800 125.822 -1.022 18531
5960 1 23 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.381 -0.271 18531
5961 1 23 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.996 -0.496 18531
5962 1 23 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.494 1.606 18531
5963 1 23 . 1 1 47 47 ASP H H 47 8.590 8.590 8.147 0.443 18531
5964 1 23 . 1 1 48 48 ALA N N 48 119.700 119.700 123.174 -3.474 18531
5965 1 23 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.110 -0.020 18531
5966 1 23 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.683 0.317 18531
5967 1 23 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.857 -0.557 18531
5968 1 23 . 1 1 48 48 ALA H H 48 8.340 8.340 8.361 -0.021 18531
5969 1 23 . 1 1 49 49 THR N N 49 103.200 103.200 108.698 -5.498 18531
5970 1 23 . 1 1 49 49 THR HA H 49 4.390 4.390 4.511 -0.121 18531
5971 1 23 . 1 1 49 49 THR CA C 49 60.200 60.200 60.519 -0.319 18531
5972 1 23 . 1 1 49 49 THR CB C 49 70.000 70.000 69.302 0.698 18531
5973 1 23 . 1 1 49 49 THR H H 49 7.000 7.000 7.724 -0.724 18531
5974 1 23 . 1 1 50 50 LYS N N 50 123.100 123.100 119.583 3.517 18531
5975 1 23 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.977 0.213 18531
5976 1 23 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.758 -1.158 18531
5977 1 23 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.015 -1.415 18531
5978 1 23 . 1 1 50 50 LYS H H 50 7.860 7.860 7.693 0.167 18531
5979 1 23 . 1 1 51 51 THR N N 51 111.200 111.200 113.880 -2.680 18531
5980 1 23 . 1 1 51 51 THR HA H 51 5.490 5.490 5.281 0.209 18531
5981 1 23 . 1 1 51 51 THR CA C 51 62.300 62.300 61.423 0.877 18531
5982 1 23 . 1 1 51 51 THR CB C 51 72.100 72.100 72.091 0.009 18531
5983 1 23 . 1 1 51 51 THR H H 51 7.390 7.390 7.286 0.104 18531
5984 1 23 . 1 1 52 52 PHE N N 52 131.000 131.000 123.480 7.520 18531
5985 1 23 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.389 0.241 18531
5986 1 23 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.891 1.409 18531
5987 1 23 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.565 0.035 18531
5988 1 23 . 1 1 52 52 PHE H H 52 10.390 10.390 8.978 1.412 18531
5989 1 23 . 1 1 53 53 THR N N 53 117.400 117.400 115.879 1.521 18531
5990 1 23 . 1 1 53 53 THR HA H 53 5.270 5.270 4.396 0.874 18531
5991 1 23 . 1 1 53 53 THR CA C 53 61.200 61.200 61.955 -0.755 18531
5992 1 23 . 1 1 53 53 THR CB C 53 71.000 71.000 71.269 -0.269 18531
5993 1 23 . 1 1 53 53 THR H H 53 9.180 9.180 8.373 0.807 18531
5994 1 23 . 1 1 54 54 VAL N N 54 123.000 123.000 127.470 -4.470 18531
5995 1 23 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.695 0.765 18531
5996 1 23 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.587 -0.488 18531
5997 1 23 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.256 -0.956 18531
5998 1 23 . 1 1 54 54 VAL H H 54 8.280 8.280 7.578 0.702 18531
5999 1 23 . 1 1 55 55 THR N N 55 123.900 123.900 122.901 0.999 18531
6000 1 23 . 1 1 55 55 THR HA H 55 4.700 4.700 4.650 0.050 18531
6001 1 23 . 1 1 55 55 THR CA C 55 61.200 61.200 60.581 0.619 18531
6002 1 23 . 1 1 55 55 THR CB C 55 70.700 70.700 70.928 -0.228 18531
6003 1 23 . 1 1 55 55 THR H H 55 8.320 8.320 7.582 0.738 18531
6004 1 24 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.528 0.522 18531
6005 1 24 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.754 -0.154 18531
6006 1 24 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.997 -1.297 18531
6007 1 24 . 1 1 2 2 GLN H H 2 8.410 8.410 8.127 0.283 18531
6008 1 24 . 1 1 3 3 TYR N N 3 124.000 124.000 123.481 0.519 18531
6009 1 24 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.281 0.079 18531
6010 1 24 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.027 0.073 18531
6011 1 24 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.397 2.203 18531
6012 1 24 . 1 1 3 3 TYR H H 3 9.070 9.070 9.045 0.025 18531
6013 1 24 . 1 1 4 4 LYS N N 4 122.500 122.500 122.849 -0.349 18531
6014 1 24 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.911 0.309 18531
6015 1 24 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.881 0.119 18531
6016 1 24 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.617 0.383 18531
6017 1 24 . 1 1 4 4 LYS H H 4 9.100 9.100 8.822 0.278 18531
6018 1 24 . 1 1 5 5 LEU N N 5 126.400 126.400 127.220 -0.820 18531
6019 1 24 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.135 -0.165 18531
6020 1 24 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.036 -0.236 18531
6021 1 24 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.341 -3.741 18531
6022 1 24 . 1 1 5 5 LEU H H 5 8.620 8.620 8.843 -0.223 18531
6023 1 24 . 1 1 6 6 VAL N N 6 127.000 127.000 125.302 1.698 18531
6024 1 24 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.319 -0.159 18531
6025 1 24 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.844 1.456 18531
6026 1 24 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.869 -0.169 18531
6027 1 24 . 1 1 6 6 VAL H H 6 9.190 9.190 7.950 1.240 18531
6028 1 24 . 1 1 7 7 ILE N N 7 125.400 125.400 129.100 -3.700 18531
6029 1 24 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.069 0.021 18531
6030 1 24 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.224 -0.524 18531
6031 1 24 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.786 1.214 18531
6032 1 24 . 1 1 7 7 ILE H H 7 8.800 8.800 8.395 0.405 18531
6033 1 24 . 1 1 8 8 ASN N N 8 128.900 128.900 127.445 1.455 18531
6034 1 24 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.000 0.280 18531
6035 1 24 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.324 -1.524 18531
6036 1 24 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.856 -0.756 18531
6037 1 24 . 1 1 8 8 ASN H H 8 8.990 8.990 8.117 0.873 18531
6038 1 24 . 1 1 9 9 GLY N N 9 110.200 110.200 107.267 2.933 18531
6039 1 24 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.241 0.459 18531
6040 1 24 . 1 1 9 9 GLY H H 9 7.920 7.920 8.322 -0.402 18531
6041 1 24 . 1 1 10 10 LYS N N 10 120.700 120.700 122.013 -1.313 18531
6042 1 24 . 1 1 10 10 LYS HA H 10 4.060 4.060 3.970 0.090 18531
6043 1 24 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.044 0.156 18531
6044 1 24 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.549 0.351 18531
6045 1 24 . 1 1 10 10 LYS H H 10 9.520 9.520 8.805 0.715 18531
6046 1 24 . 1 1 11 11 THR N N 11 108.900 108.900 108.127 0.773 18531
6047 1 24 . 1 1 11 11 THR HA H 11 4.360 4.360 4.304 0.056 18531
6048 1 24 . 1 1 11 11 THR CA C 11 62.000 62.000 62.713 -0.713 18531
6049 1 24 . 1 1 11 11 THR CB C 11 69.800 69.800 69.394 0.406 18531
6050 1 24 . 1 1 11 11 THR H H 11 8.790 8.790 7.499 1.291 18531
6051 1 24 . 1 1 12 12 LEU N N 12 125.700 125.700 123.822 1.878 18531
6052 1 24 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.601 -0.161 18531
6053 1 24 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.058 0.942 18531
6054 1 24 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.306 -0.006 18531
6055 1 24 . 1 1 12 12 LEU H H 12 7.580 7.580 7.745 -0.165 18531
6056 1 24 . 1 1 13 13 LYS N N 13 123.500 123.500 125.758 -2.258 18531
6057 1 24 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.010 0.110 18531
6058 1 24 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.227 -1.327 18531
6059 1 24 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.435 -0.635 18531
6060 1 24 . 1 1 13 13 LYS H H 13 8.140 8.140 8.497 -0.357 18531
6061 1 24 . 1 1 14 14 GLY N N 14 109.100 109.100 111.346 -2.246 18531
6062 1 24 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.830 -0.630 18531
6063 1 24 . 1 1 14 14 GLY H H 14 8.340 8.340 8.852 -0.512 18531
6064 1 24 . 1 1 15 15 GLU N N 15 118.200 118.200 118.844 -0.644 18531
6065 1 24 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.701 0.899 18531
6066 1 24 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.174 -1.674 18531
6067 1 24 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.606 0.194 18531
6068 1 24 . 1 1 15 15 GLU H H 15 8.390 8.390 8.552 -0.162 18531
6069 1 24 . 1 1 16 16 THR N N 16 115.600 115.600 116.831 -1.231 18531
6070 1 24 . 1 1 16 16 THR HA H 16 4.730 4.730 4.782 -0.052 18531
6071 1 24 . 1 1 16 16 THR CA C 16 60.600 60.600 60.709 -0.109 18531
6072 1 24 . 1 1 16 16 THR CB C 16 69.500 69.500 69.553 -0.053 18531
6073 1 24 . 1 1 16 16 THR H H 16 8.820 8.820 8.354 0.466 18531
6074 1 24 . 1 1 17 17 THR N N 17 111.800 111.800 114.069 -2.269 18531
6075 1 24 . 1 1 17 17 THR HA H 17 5.790 5.790 5.456 0.334 18531
6076 1 24 . 1 1 17 17 THR CA C 17 59.800 59.800 60.457 -0.657 18531
6077 1 24 . 1 1 17 17 THR CB C 17 73.100 73.100 71.903 1.198 18531
6078 1 24 . 1 1 17 17 THR H H 17 8.140 8.140 8.250 -0.110 18531
6079 1 24 . 1 1 18 18 THR N N 18 115.100 115.100 114.559 0.541 18531
6080 1 24 . 1 1 18 18 THR HA H 18 4.640 4.640 4.396 0.244 18531
6081 1 24 . 1 1 18 18 THR CA C 18 61.900 61.900 61.614 0.286 18531
6082 1 24 . 1 1 18 18 THR CB C 18 70.000 70.000 70.674 -0.674 18531
6083 1 24 . 1 1 18 18 THR H H 18 8.930 8.930 8.579 0.351 18531
6084 1 24 . 1 1 19 19 LYS N N 19 124.300 124.300 124.823 -0.523 18531
6085 1 24 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.813 0.517 18531
6086 1 24 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.075 -0.075 18531
6087 1 24 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.943 -0.143 18531
6088 1 24 . 1 1 19 19 LYS H H 19 7.950 7.950 8.359 -0.409 18531
6089 1 24 . 1 1 20 20 ALA N N 20 124.600 124.600 125.778 -1.178 18531
6090 1 24 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.604 0.176 18531
6091 1 24 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.357 -0.457 18531
6092 1 24 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.522 2.278 18531
6093 1 24 . 1 1 20 20 ALA H H 20 9.110 9.110 8.073 1.037 18531
6094 1 24 . 1 1 21 21 VAL N N 21 115.300 115.300 115.121 0.179 18531
6095 1 24 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.880 0.230 18531
6096 1 24 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.523 -1.223 18531
6097 1 24 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.000 0.200 18531
6098 1 24 . 1 1 21 21 VAL H H 21 8.480 8.480 8.477 0.003 18531
6099 1 24 . 1 1 22 22 ASP N N 22 115.200 115.200 115.871 -0.671 18531
6100 1 24 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.785 -0.075 18531
6101 1 24 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.706 -0.306 18531
6102 1 24 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.813 -0.613 18531
6103 1 24 . 1 1 22 22 ASP H H 22 7.310 7.310 7.529 -0.219 18531
6104 1 24 . 1 1 23 23 ALA N N 23 121.000 121.000 121.272 -0.272 18531
6105 1 24 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.933 -0.593 18531
6106 1 24 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.215 -0.315 18531
6107 1 24 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.435 -0.935 18531
6108 1 24 . 1 1 23 23 ALA H H 23 8.370 8.370 8.772 -0.402 18531
6109 1 24 . 1 1 24 24 GLU N N 24 118.900 118.900 118.356 0.544 18531
6110 1 24 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.987 -0.127 18531
6111 1 24 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.417 0.283 18531
6112 1 24 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.300 -0.200 18531
6113 1 24 . 1 1 24 24 GLU H H 24 8.410 8.410 8.228 0.182 18531
6114 1 24 . 1 1 25 25 THR N N 25 117.400 117.400 115.750 1.650 18531
6115 1 24 . 1 1 25 25 THR HA H 25 3.670 3.670 4.074 -0.404 18531
6116 1 24 . 1 1 25 25 THR CA C 25 66.800 66.800 65.802 0.998 18531
6117 1 24 . 1 1 25 25 THR CB C 25 68.000 68.000 68.706 -0.706 18531
6118 1 24 . 1 1 25 25 THR H H 25 8.380 8.380 8.027 0.353 18531
6119 1 24 . 1 1 26 26 ALA N N 26 125.100 125.100 124.467 0.633 18531
6120 1 24 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.620 -0.430 18531
6121 1 24 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.897 0.103 18531
6122 1 24 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.302 -0.002 18531
6123 1 24 . 1 1 26 26 ALA H H 26 7.220 7.220 7.563 -0.343 18531
6124 1 24 . 1 1 27 27 GLU N N 27 117.400 117.400 117.120 0.280 18531
6125 1 24 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.764 -1.174 18531
6126 1 24 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.356 0.344 18531
6127 1 24 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.551 -0.351 18531
6128 1 24 . 1 1 27 27 GLU H H 27 8.370 8.370 8.407 -0.037 18531
6129 1 24 . 1 1 28 28 LYS N N 28 116.300 116.300 118.365 -2.065 18531
6130 1 24 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.060 -0.390 18531
6131 1 24 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.321 1.279 18531
6132 1 24 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.965 0.235 18531
6133 1 24 . 1 1 28 28 LYS H H 28 7.170 7.170 7.408 -0.238 18531
6134 1 24 . 1 1 29 29 ALA N N 29 122.000 122.000 122.617 -0.617 18531
6135 1 24 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.131 -0.041 18531
6136 1 24 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.660 0.040 18531
6137 1 24 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.009 -0.510 18531
6138 1 24 . 1 1 29 29 ALA H H 29 7.200 7.200 7.062 0.138 18531
6139 1 24 . 1 1 30 30 PHE N N 30 119.600 119.600 117.966 1.634 18531
6140 1 24 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.143 0.637 18531
6141 1 24 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.866 -4.266 18531
6142 1 24 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.400 -1.000 18531
6143 1 24 . 1 1 30 30 PHE H H 30 8.610 8.610 8.571 0.039 18531
6144 1 24 . 1 1 31 31 LYS N N 31 122.800 122.800 118.005 4.795 18531
6145 1 24 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.566 0.524 18531
6146 1 24 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.538 0.162 18531
6147 1 24 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.907 -0.307 18531
6148 1 24 . 1 1 31 31 LYS H H 31 9.030 9.030 7.632 1.398 18531
6149 1 24 . 1 1 32 32 GLN N N 32 119.600 119.600 119.454 0.146 18531
6150 1 24 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.052 -0.022 18531
6151 1 24 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.060 -0.360 18531
6152 1 24 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.459 -0.359 18531
6153 1 24 . 1 1 32 32 GLN H H 32 7.510 7.510 7.657 -0.147 18531
6154 1 24 . 1 1 33 33 TYR N N 33 120.400 120.400 121.106 -0.706 18531
6155 1 24 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.105 0.145 18531
6156 1 24 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.904 0.896 18531
6157 1 24 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.260 0.440 18531
6158 1 24 . 1 1 33 33 TYR H H 33 8.080 8.080 7.807 0.273 18531
6159 1 24 . 1 1 34 34 ALA N N 34 122.300 122.300 121.502 0.798 18531
6160 1 24 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.936 -0.156 18531
6161 1 24 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.597 1.503 18531
6162 1 24 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.827 -1.127 18531
6163 1 24 . 1 1 34 34 ALA H H 34 9.210 9.210 8.095 1.115 18531
6164 1 24 . 1 1 35 35 ASN N N 35 117.700 117.700 118.913 -1.213 18531
6165 1 24 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.417 0.043 18531
6166 1 24 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.052 0.948 18531
6167 1 24 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.986 1.014 18531
6168 1 24 . 1 1 35 35 ASN H H 35 8.390 8.390 8.350 0.040 18531
6169 1 24 . 1 1 36 36 ASP N N 36 121.100 121.100 120.483 0.617 18531
6170 1 24 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.466 -0.106 18531
6171 1 24 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.867 -0.167 18531
6172 1 24 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.651 -0.651 18531
6173 1 24 . 1 1 36 36 ASP H H 36 8.830 8.830 8.516 0.314 18531
6174 1 24 . 1 1 37 37 ASN N N 37 115.200 115.200 115.661 -0.461 18531
6175 1 24 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.711 -0.101 18531
6176 1 24 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.269 1.431 18531
6177 1 24 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.968 1.032 18531
6178 1 24 . 1 1 37 37 ASN H H 37 7.390 7.390 7.687 -0.297 18531
6179 1 24 . 1 1 38 38 GLY N N 38 108.200 108.200 109.976 -1.776 18531
6180 1 24 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.016 1.384 18531
6181 1 24 . 1 1 38 38 GLY H H 38 7.800 7.800 8.026 -0.226 18531
6182 1 24 . 1 1 39 39 VAL N N 39 120.800 120.800 119.342 1.458 18531
6183 1 24 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.702 0.438 18531
6184 1 24 . 1 1 39 39 VAL CA C 39 61.700 61.700 63.255 -1.555 18531
6185 1 24 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.984 1.316 18531
6186 1 24 . 1 1 39 39 VAL H H 39 8.120 8.120 8.233 -0.113 18531
6187 1 24 . 1 1 40 40 ASP N N 40 128.000 128.000 125.799 2.201 18531
6188 1 24 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.081 -0.191 18531
6189 1 24 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.722 -0.922 18531
6190 1 24 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.463 -0.363 18531
6191 1 24 . 1 1 40 40 ASP H H 40 8.770 8.770 8.168 0.602 18531
6192 1 24 . 1 1 41 41 GLY N N 41 107.100 107.100 111.200 -4.100 18531
6193 1 24 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.868 0.532 18531
6194 1 24 . 1 1 41 41 GLY H H 41 7.910 7.910 8.362 -0.452 18531
6195 1 24 . 1 1 42 42 VAL N N 42 120.300 120.300 122.316 -2.016 18531
6196 1 24 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.263 0.117 18531
6197 1 24 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.841 -0.741 18531
6198 1 24 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.645 0.755 18531
6199 1 24 . 1 1 42 42 VAL H H 42 8.250 8.250 8.267 -0.017 18531
6200 1 24 . 1 1 43 43 TRP N N 43 130.700 130.700 129.005 1.695 18531
6201 1 24 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.578 -0.218 18531
6202 1 24 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.149 1.451 18531
6203 1 24 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.685 -1.485 18531
6204 1 24 . 1 1 43 43 TRP H H 43 9.360 9.360 8.666 0.694 18531
6205 1 24 . 1 1 44 44 THR N N 44 114.500 114.500 114.237 0.263 18531
6206 1 24 . 1 1 44 44 THR HA H 44 4.830 4.830 4.713 0.117 18531
6207 1 24 . 1 1 44 44 THR CA C 44 60.300 60.300 60.980 -0.680 18531
6208 1 24 . 1 1 44 44 THR CB C 44 72.100 72.100 71.591 0.508 18531
6209 1 24 . 1 1 44 44 THR H H 44 9.400 9.400 8.448 0.952 18531
6210 1 24 . 1 1 45 45 TYR N N 45 120.100 120.100 125.574 -5.474 18531
6211 1 24 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.149 0.821 18531
6212 1 24 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.984 1.016 18531
6213 1 24 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.211 1.389 18531
6214 1 24 . 1 1 45 45 TYR H H 45 8.580 8.580 8.603 -0.023 18531
6215 1 24 . 1 1 46 46 ASP N N 46 128.300 128.300 128.615 -0.315 18531
6216 1 24 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.463 0.117 18531
6217 1 24 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.925 -0.025 18531
6218 1 24 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.558 1.542 18531
6219 1 24 . 1 1 46 46 ASP H H 46 7.580 7.580 7.883 -0.303 18531
6220 1 24 . 1 1 47 47 ASP N N 47 124.800 124.800 124.522 0.278 18531
6221 1 24 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.275 -0.165 18531
6222 1 24 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.526 -0.026 18531
6223 1 24 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.316 1.784 18531
6224 1 24 . 1 1 47 47 ASP H H 47 8.590 8.590 8.055 0.535 18531
6225 1 24 . 1 1 48 48 ALA N N 48 119.700 119.700 122.645 -2.945 18531
6226 1 24 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.040 0.050 18531
6227 1 24 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.688 0.312 18531
6228 1 24 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.738 -0.438 18531
6229 1 24 . 1 1 48 48 ALA H H 48 8.340 8.340 7.731 0.609 18531
6230 1 24 . 1 1 49 49 THR N N 49 103.200 103.200 107.997 -4.797 18531
6231 1 24 . 1 1 49 49 THR HA H 49 4.390 4.390 4.424 -0.034 18531
6232 1 24 . 1 1 49 49 THR CA C 49 60.200 60.200 60.072 0.128 18531
6233 1 24 . 1 1 49 49 THR CB C 49 70.000 70.000 68.727 1.273 18531
6234 1 24 . 1 1 49 49 THR H H 49 7.000 7.000 7.665 -0.665 18531
6235 1 24 . 1 1 50 50 LYS N N 50 123.100 123.100 120.552 2.548 18531
6236 1 24 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.142 0.048 18531
6237 1 24 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.599 -0.999 18531
6238 1 24 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.353 -0.753 18531
6239 1 24 . 1 1 50 50 LYS H H 50 7.860 7.860 7.698 0.162 18531
6240 1 24 . 1 1 51 51 THR N N 51 111.200 111.200 114.891 -3.691 18531
6241 1 24 . 1 1 51 51 THR HA H 51 5.490 5.490 5.406 0.084 18531
6242 1 24 . 1 1 51 51 THR CA C 51 62.300 62.300 62.360 -0.060 18531
6243 1 24 . 1 1 51 51 THR CB C 51 72.100 72.100 71.867 0.233 18531
6244 1 24 . 1 1 51 51 THR H H 51 7.390 7.390 7.527 -0.137 18531
6245 1 24 . 1 1 52 52 PHE N N 52 131.000 131.000 126.184 4.816 18531
6246 1 24 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.631 -0.001 18531
6247 1 24 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.744 1.556 18531
6248 1 24 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.133 0.466 18531
6249 1 24 . 1 1 52 52 PHE H H 52 10.390 10.390 9.608 0.782 18531
6250 1 24 . 1 1 53 53 THR N N 53 117.400 117.400 117.959 -0.559 18531
6251 1 24 . 1 1 53 53 THR HA H 53 5.270 5.270 4.517 0.753 18531
6252 1 24 . 1 1 53 53 THR CA C 53 61.200 61.200 61.948 -0.748 18531
6253 1 24 . 1 1 53 53 THR CB C 53 71.000 71.000 70.642 0.358 18531
6254 1 24 . 1 1 53 53 THR H H 53 9.180 9.180 8.451 0.729 18531
6255 1 24 . 1 1 54 54 VAL N N 54 123.000 123.000 127.476 -4.476 18531
6256 1 24 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.675 0.785 18531
6257 1 24 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.829 -0.729 18531
6258 1 24 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.523 -0.223 18531
6259 1 24 . 1 1 54 54 VAL H H 54 8.280 8.280 7.713 0.567 18531
6260 1 24 . 1 1 55 55 THR N N 55 123.900 123.900 122.787 1.113 18531
6261 1 24 . 1 1 55 55 THR HA H 55 4.700 4.700 4.619 0.081 18531
6262 1 24 . 1 1 55 55 THR CA C 55 61.200 61.200 60.584 0.617 18531
6263 1 24 . 1 1 55 55 THR CB C 55 70.700 70.700 70.786 -0.086 18531
6264 1 24 . 1 1 55 55 THR H H 55 8.320 8.320 7.709 0.611 18531
6265 1 25 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.427 0.623 18531
6266 1 25 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.659 -0.059 18531
6267 1 25 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.852 -1.153 18531
6268 1 25 . 1 1 2 2 GLN H H 2 8.410 8.410 8.082 0.328 18531
6269 1 25 . 1 1 3 3 TYR N N 3 124.000 124.000 124.113 -0.113 18531
6270 1 25 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.291 0.069 18531
6271 1 25 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.833 0.267 18531
6272 1 25 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.853 2.747 18531
6273 1 25 . 1 1 3 3 TYR H H 3 9.070 9.070 8.835 0.235 18531
6274 1 25 . 1 1 4 4 LYS N N 4 122.500 122.500 123.378 -0.878 18531
6275 1 25 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.862 0.358 18531
6276 1 25 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.897 0.103 18531
6277 1 25 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.234 0.766 18531
6278 1 25 . 1 1 4 4 LYS H H 4 9.100 9.100 8.849 0.251 18531
6279 1 25 . 1 1 5 5 LEU N N 5 126.400 126.400 127.101 -0.701 18531
6280 1 25 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.187 -0.217 18531
6281 1 25 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.102 -0.302 18531
6282 1 25 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.330 -3.730 18531
6283 1 25 . 1 1 5 5 LEU H H 5 8.620 8.620 8.346 0.274 18531
6284 1 25 . 1 1 6 6 VAL N N 6 127.000 127.000 124.929 2.071 18531
6285 1 25 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.319 -0.159 18531
6286 1 25 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.568 0.732 18531
6287 1 25 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.600 -0.900 18531
6288 1 25 . 1 1 6 6 VAL H H 6 9.190 9.190 7.874 1.316 18531
6289 1 25 . 1 1 7 7 ILE N N 7 125.400 125.400 128.760 -3.360 18531
6290 1 25 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.128 -0.038 18531
6291 1 25 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.070 -0.370 18531
6292 1 25 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.440 0.561 18531
6293 1 25 . 1 1 7 7 ILE H H 7 8.800 8.800 8.296 0.504 18531
6294 1 25 . 1 1 8 8 ASN N N 8 128.900 128.900 127.490 1.410 18531
6295 1 25 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.035 0.245 18531
6296 1 25 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.312 -1.512 18531
6297 1 25 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.843 -0.743 18531
6298 1 25 . 1 1 8 8 ASN H H 8 8.990 8.990 8.047 0.943 18531
6299 1 25 . 1 1 9 9 GLY N N 9 110.200 110.200 107.527 2.673 18531
6300 1 25 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.206 0.494 18531
6301 1 25 . 1 1 9 9 GLY H H 9 7.920 7.920 8.276 -0.356 18531
6302 1 25 . 1 1 10 10 LYS N N 10 120.700 120.700 121.457 -0.757 18531
6303 1 25 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.032 0.028 18531
6304 1 25 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.810 0.390 18531
6305 1 25 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.506 0.394 18531
6306 1 25 . 1 1 10 10 LYS H H 10 9.520 9.520 8.821 0.699 18531
6307 1 25 . 1 1 11 11 THR N N 11 108.900 108.900 109.521 -0.621 18531
6308 1 25 . 1 1 11 11 THR HA H 11 4.360 4.360 4.326 0.034 18531
6309 1 25 . 1 1 11 11 THR CA C 11 62.000 62.000 62.632 -0.632 18531
6310 1 25 . 1 1 11 11 THR CB C 11 69.800 69.800 69.254 0.546 18531
6311 1 25 . 1 1 11 11 THR H H 11 8.790 8.790 7.767 1.023 18531
6312 1 25 . 1 1 12 12 LEU N N 12 125.700 125.700 123.798 1.902 18531
6313 1 25 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.667 -0.227 18531
6314 1 25 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.128 0.872 18531
6315 1 25 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.432 -0.132 18531
6316 1 25 . 1 1 12 12 LEU H H 12 7.580 7.580 7.766 -0.186 18531
6317 1 25 . 1 1 13 13 LYS N N 13 123.500 123.500 125.710 -2.210 18531
6318 1 25 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.931 0.189 18531
6319 1 25 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.361 -1.462 18531
6320 1 25 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.359 -0.559 18531
6321 1 25 . 1 1 13 13 LYS H H 13 8.140 8.140 8.519 -0.379 18531
6322 1 25 . 1 1 14 14 GLY N N 14 109.100 109.100 111.328 -2.228 18531
6323 1 25 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.768 -0.568 18531
6324 1 25 . 1 1 14 14 GLY H H 14 8.340 8.340 8.686 -0.346 18531
6325 1 25 . 1 1 15 15 GLU N N 15 118.200 118.200 119.125 -0.925 18531
6326 1 25 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.562 1.038 18531
6327 1 25 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.809 -1.309 18531
6328 1 25 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.317 0.483 18531
6329 1 25 . 1 1 15 15 GLU H H 15 8.390 8.390 8.305 0.085 18531
6330 1 25 . 1 1 16 16 THR N N 16 115.600 115.600 115.507 0.093 18531
6331 1 25 . 1 1 16 16 THR HA H 16 4.730 4.730 4.644 0.086 18531
6332 1 25 . 1 1 16 16 THR CA C 16 60.600 60.600 61.294 -0.694 18531
6333 1 25 . 1 1 16 16 THR CB C 16 69.500 69.500 69.751 -0.251 18531
6334 1 25 . 1 1 16 16 THR H H 16 8.820 8.820 8.435 0.385 18531
6335 1 25 . 1 1 17 17 THR N N 17 111.800 111.800 115.649 -3.849 18531
6336 1 25 . 1 1 17 17 THR HA H 17 5.790 5.790 5.482 0.308 18531
6337 1 25 . 1 1 17 17 THR CA C 17 59.800 59.800 60.723 -0.923 18531
6338 1 25 . 1 1 17 17 THR CB C 17 73.100 73.100 71.896 1.204 18531
6339 1 25 . 1 1 17 17 THR H H 17 8.140 8.140 8.296 -0.156 18531
6340 1 25 . 1 1 18 18 THR N N 18 115.100 115.100 114.889 0.211 18531
6341 1 25 . 1 1 18 18 THR HA H 18 4.640 4.640 4.597 0.043 18531
6342 1 25 . 1 1 18 18 THR CA C 18 61.900 61.900 60.941 0.959 18531
6343 1 25 . 1 1 18 18 THR CB C 18 70.000 70.000 70.049 -0.049 18531
6344 1 25 . 1 1 18 18 THR H H 18 8.930 8.930 8.504 0.426 18531
6345 1 25 . 1 1 19 19 LYS N N 19 124.300 124.300 125.118 -0.818 18531
6346 1 25 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.691 0.639 18531
6347 1 25 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.268 -0.268 18531
6348 1 25 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.862 -0.062 18531
6349 1 25 . 1 1 19 19 LYS H H 19 7.950 7.950 8.368 -0.418 18531
6350 1 25 . 1 1 20 20 ALA N N 20 124.600 124.600 126.331 -1.731 18531
6351 1 25 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.743 0.037 18531
6352 1 25 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.624 -0.724 18531
6353 1 25 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.890 1.910 18531
6354 1 25 . 1 1 20 20 ALA H H 20 9.110 9.110 8.385 0.725 18531
6355 1 25 . 1 1 21 21 VAL N N 21 115.300 115.300 116.795 -1.495 18531
6356 1 25 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.896 0.214 18531
6357 1 25 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.428 -1.128 18531
6358 1 25 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.847 0.353 18531
6359 1 25 . 1 1 21 21 VAL H H 21 8.480 8.480 8.558 -0.078 18531
6360 1 25 . 1 1 22 22 ASP N N 22 115.200 115.200 117.181 -1.981 18531
6361 1 25 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.819 -0.109 18531
6362 1 25 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.050 -0.650 18531
6363 1 25 . 1 1 22 22 ASP CB C 22 42.200 42.200 43.084 -0.883 18531
6364 1 25 . 1 1 22 22 ASP H H 22 7.310 7.310 7.613 -0.303 18531
6365 1 25 . 1 1 23 23 ALA N N 23 121.000 121.000 123.691 -2.691 18531
6366 1 25 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.937 -0.597 18531
6367 1 25 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.000 -0.100 18531
6368 1 25 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.873 -1.373 18531
6369 1 25 . 1 1 23 23 ALA H H 23 8.370 8.370 8.702 -0.332 18531
6370 1 25 . 1 1 24 24 GLU N N 24 118.900 118.900 118.021 0.879 18531
6371 1 25 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.909 -0.049 18531
6372 1 25 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.605 0.095 18531
6373 1 25 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.235 -0.135 18531
6374 1 25 . 1 1 24 24 GLU H H 24 8.410 8.410 7.928 0.482 18531
6375 1 25 . 1 1 25 25 THR N N 25 117.400 117.400 114.076 3.324 18531
6376 1 25 . 1 1 25 25 THR HA H 25 3.670 3.670 4.010 -0.340 18531
6377 1 25 . 1 1 25 25 THR CA C 25 66.800 66.800 64.903 1.897 18531
6378 1 25 . 1 1 25 25 THR CB C 25 68.000 68.000 68.485 -0.485 18531
6379 1 25 . 1 1 25 25 THR H H 25 8.380 8.380 8.167 0.213 18531
6380 1 25 . 1 1 26 26 ALA N N 26 125.100 125.100 123.525 1.575 18531
6381 1 25 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.817 -0.627 18531
6382 1 25 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.562 0.438 18531
6383 1 25 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.628 -0.328 18531
6384 1 25 . 1 1 26 26 ALA H H 26 7.220 7.220 7.233 -0.013 18531
6385 1 25 . 1 1 27 27 GLU N N 27 117.400 117.400 119.289 -1.889 18531
6386 1 25 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.691 -1.101 18531
6387 1 25 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.554 0.146 18531
6388 1 25 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.395 -0.195 18531
6389 1 25 . 1 1 27 27 GLU H H 27 8.370 8.370 7.580 0.790 18531
6390 1 25 . 1 1 28 28 LYS N N 28 116.300 116.300 118.072 -1.772 18531
6391 1 25 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.904 -0.234 18531
6392 1 25 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.264 0.336 18531
6393 1 25 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.968 0.232 18531
6394 1 25 . 1 1 28 28 LYS H H 28 7.170 7.170 7.558 -0.388 18531
6395 1 25 . 1 1 29 29 ALA N N 29 122.000 122.000 122.032 -0.032 18531
6396 1 25 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.166 -0.076 18531
6397 1 25 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.491 0.209 18531
6398 1 25 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.185 -0.685 18531
6399 1 25 . 1 1 29 29 ALA H H 29 7.200 7.200 7.309 -0.109 18531
6400 1 25 . 1 1 30 30 PHE N N 30 119.600 119.600 118.828 0.772 18531
6401 1 25 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.122 0.658 18531
6402 1 25 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.548 -3.948 18531
6403 1 25 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.424 -1.024 18531
6404 1 25 . 1 1 30 30 PHE H H 30 8.610 8.610 8.184 0.426 18531
6405 1 25 . 1 1 31 31 LYS N N 31 122.800 122.800 117.196 5.604 18531
6406 1 25 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.493 0.597 18531
6407 1 25 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.730 0.970 18531
6408 1 25 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.319 0.281 18531
6409 1 25 . 1 1 31 31 LYS H H 31 9.030 9.030 8.405 0.625 18531
6410 1 25 . 1 1 32 32 GLN N N 32 119.600 119.600 118.701 0.899 18531
6411 1 25 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.975 0.055 18531
6412 1 25 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.263 -0.563 18531
6413 1 25 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.541 -0.441 18531
6414 1 25 . 1 1 32 32 GLN H H 32 7.510 7.510 7.613 -0.103 18531
6415 1 25 . 1 1 33 33 TYR N N 33 120.400 120.400 118.869 1.531 18531
6416 1 25 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.225 0.025 18531
6417 1 25 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.935 0.865 18531
6418 1 25 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.072 0.628 18531
6419 1 25 . 1 1 33 33 TYR H H 33 8.080 8.080 7.944 0.136 18531
6420 1 25 . 1 1 34 34 ALA N N 34 122.300 122.300 121.855 0.445 18531
6421 1 25 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.035 -0.255 18531
6422 1 25 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.213 0.887 18531
6423 1 25 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.569 -0.869 18531
6424 1 25 . 1 1 34 34 ALA H H 34 9.210 9.210 7.911 1.299 18531
6425 1 25 . 1 1 35 35 ASN N N 35 117.700 117.700 117.260 0.440 18531
6426 1 25 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.472 -0.012 18531
6427 1 25 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.956 1.044 18531
6428 1 25 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.048 0.952 18531
6429 1 25 . 1 1 35 35 ASN H H 35 8.390 8.390 7.915 0.475 18531
6430 1 25 . 1 1 36 36 ASP N N 36 121.100 121.100 120.499 0.601 18531
6431 1 25 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.385 -0.025 18531
6432 1 25 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.953 -0.253 18531
6433 1 25 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.424 -0.424 18531
6434 1 25 . 1 1 36 36 ASP H H 36 8.830 8.830 8.258 0.572 18531
6435 1 25 . 1 1 37 37 ASN N N 37 115.200 115.200 113.889 1.311 18531
6436 1 25 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.688 -0.078 18531
6437 1 25 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.288 0.413 18531
6438 1 25 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.237 0.763 18531
6439 1 25 . 1 1 37 37 ASN H H 37 7.390 7.390 7.573 -0.183 18531
6440 1 25 . 1 1 38 38 GLY N N 38 108.200 108.200 108.640 -0.440 18531
6441 1 25 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.866 0.534 18531
6442 1 25 . 1 1 38 38 GLY H H 38 7.800 7.800 8.051 -0.251 18531
6443 1 25 . 1 1 39 39 VAL N N 39 120.800 120.800 120.821 -0.021 18531
6444 1 25 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.451 -0.311 18531
6445 1 25 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.126 0.574 18531
6446 1 25 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.436 1.864 18531
6447 1 25 . 1 1 39 39 VAL H H 39 8.120 8.120 7.930 0.190 18531
6448 1 25 . 1 1 40 40 ASP N N 40 128.000 128.000 127.396 0.604 18531
6449 1 25 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.163 -0.273 18531
6450 1 25 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.850 -0.050 18531
6451 1 25 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.936 -1.836 18531
6452 1 25 . 1 1 40 40 ASP H H 40 8.770 8.770 8.093 0.677 18531
6453 1 25 . 1 1 41 41 GLY N N 41 107.100 107.100 108.797 -1.697 18531
6454 1 25 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.437 -0.037 18531
6455 1 25 . 1 1 41 41 GLY H H 41 7.910 7.910 8.402 -0.492 18531
6456 1 25 . 1 1 42 42 VAL N N 42 120.300 120.300 123.778 -3.478 18531
6457 1 25 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.504 -0.124 18531
6458 1 25 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.821 0.279 18531
6459 1 25 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.653 0.748 18531
6460 1 25 . 1 1 42 42 VAL H H 42 8.250 8.250 7.824 0.426 18531
6461 1 25 . 1 1 43 43 TRP N N 43 130.700 130.700 127.817 2.883 18531
6462 1 25 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.725 -0.365 18531
6463 1 25 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.872 1.728 18531
6464 1 25 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.686 -2.486 18531
6465 1 25 . 1 1 43 43 TRP H H 43 9.360 9.360 8.679 0.681 18531
6466 1 25 . 1 1 44 44 THR N N 44 114.500 114.500 114.270 0.230 18531
6467 1 25 . 1 1 44 44 THR HA H 44 4.830 4.830 4.710 0.120 18531
6468 1 25 . 1 1 44 44 THR CA C 44 60.300 60.300 61.078 -0.778 18531
6469 1 25 . 1 1 44 44 THR CB C 44 72.100 72.100 71.713 0.387 18531
6470 1 25 . 1 1 44 44 THR H H 44 9.400 9.400 8.580 0.820 18531
6471 1 25 . 1 1 45 45 TYR N N 45 120.100 120.100 125.095 -4.995 18531
6472 1 25 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.094 0.876 18531
6473 1 25 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.964 1.036 18531
6474 1 25 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.408 1.192 18531
6475 1 25 . 1 1 45 45 TYR H H 45 8.580 8.580 8.598 -0.018 18531
6476 1 25 . 1 1 46 46 ASP N N 46 128.300 128.300 128.928 -0.628 18531
6477 1 25 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.452 0.128 18531
6478 1 25 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.824 0.076 18531
6479 1 25 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.387 1.713 18531
6480 1 25 . 1 1 46 46 ASP H H 46 7.580 7.580 7.862 -0.282 18531
6481 1 25 . 1 1 47 47 ASP N N 47 124.800 124.800 124.688 0.112 18531
6482 1 25 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.337 -0.227 18531
6483 1 25 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.599 -0.099 18531
6484 1 25 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.376 1.724 18531
6485 1 25 . 1 1 47 47 ASP H H 47 8.590 8.590 8.028 0.562 18531
6486 1 25 . 1 1 48 48 ALA N N 48 119.700 119.700 123.213 -3.513 18531
6487 1 25 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.024 0.066 18531
6488 1 25 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.667 0.333 18531
6489 1 25 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.779 -0.479 18531
6490 1 25 . 1 1 48 48 ALA H H 48 8.340 8.340 7.778 0.562 18531
6491 1 25 . 1 1 49 49 THR N N 49 103.200 103.200 106.508 -3.308 18531
6492 1 25 . 1 1 49 49 THR HA H 49 4.390 4.390 4.484 -0.094 18531
6493 1 25 . 1 1 49 49 THR CA C 49 60.200 60.200 60.026 0.174 18531
6494 1 25 . 1 1 49 49 THR CB C 49 70.000 70.000 68.726 1.274 18531
6495 1 25 . 1 1 49 49 THR H H 49 7.000 7.000 7.718 -0.718 18531
6496 1 25 . 1 1 50 50 LYS N N 50 123.100 123.100 120.391 2.709 18531
6497 1 25 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.162 0.028 18531
6498 1 25 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.474 -0.874 18531
6499 1 25 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.496 -0.896 18531
6500 1 25 . 1 1 50 50 LYS H H 50 7.860 7.860 7.760 0.100 18531
6501 1 25 . 1 1 51 51 THR N N 51 111.200 111.200 114.951 -3.751 18531
6502 1 25 . 1 1 51 51 THR HA H 51 5.490 5.490 5.275 0.215 18531
6503 1 25 . 1 1 51 51 THR CA C 51 62.300 62.300 62.693 -0.393 18531
6504 1 25 . 1 1 51 51 THR CB C 51 72.100 72.100 71.600 0.500 18531
6505 1 25 . 1 1 51 51 THR H H 51 7.390 7.390 7.500 -0.110 18531
6506 1 25 . 1 1 52 52 PHE N N 52 131.000 131.000 126.721 4.279 18531
6507 1 25 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.588 0.042 18531
6508 1 25 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.753 1.547 18531
6509 1 25 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.850 0.750 18531
6510 1 25 . 1 1 52 52 PHE H H 52 10.390 10.390 9.633 0.757 18531
6511 1 25 . 1 1 53 53 THR N N 53 117.400 117.400 117.557 -0.157 18531
6512 1 25 . 1 1 53 53 THR HA H 53 5.270 5.270 4.461 0.809 18531
6513 1 25 . 1 1 53 53 THR CA C 53 61.200 61.200 61.673 -0.473 18531
6514 1 25 . 1 1 53 53 THR CB C 53 71.000 71.000 70.663 0.337 18531
6515 1 25 . 1 1 53 53 THR H H 53 9.180 9.180 8.516 0.664 18531
6516 1 25 . 1 1 54 54 VAL N N 54 123.000 123.000 127.870 -4.870 18531
6517 1 25 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.926 0.534 18531
6518 1 25 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.010 -0.910 18531
6519 1 25 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.129 -0.829 18531
6520 1 25 . 1 1 54 54 VAL H H 54 8.280 8.280 7.803 0.477 18531
6521 1 25 . 1 1 55 55 THR N N 55 123.900 123.900 124.051 -0.151 18531
6522 1 25 . 1 1 55 55 THR HA H 55 4.700 4.700 4.554 0.146 18531
6523 1 25 . 1 1 55 55 THR CA C 55 61.200 61.200 59.805 1.395 18531
6524 1 25 . 1 1 55 55 THR CB C 55 70.700 70.700 70.708 -0.008 18531
6525 1 25 . 1 1 55 55 THR H H 55 8.320 8.320 8.127 0.193 18531
6526 1 26 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.407 0.643 18531
6527 1 26 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.127 0.473 18531
6528 1 26 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.475 -0.775 18531
6529 1 26 . 1 1 2 2 GLN H H 2 8.410 8.410 8.226 0.184 18531
6530 1 26 . 1 1 3 3 TYR N N 3 124.000 124.000 123.335 0.665 18531
6531 1 26 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.152 0.208 18531
6532 1 26 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.370 1.730 18531
6533 1 26 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.023 3.576 18531
6534 1 26 . 1 1 3 3 TYR H H 3 9.070 9.070 9.058 0.012 18531
6535 1 26 . 1 1 4 4 LYS N N 4 122.500 122.500 123.842 -1.342 18531
6536 1 26 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.782 0.438 18531
6537 1 26 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.138 -0.138 18531
6538 1 26 . 1 1 4 4 LYS CB C 4 36.000 36.000 34.679 1.321 18531
6539 1 26 . 1 1 4 4 LYS H H 4 9.100 9.100 8.495 0.605 18531
6540 1 26 . 1 1 5 5 LEU N N 5 126.400 126.400 127.812 -1.412 18531
6541 1 26 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.703 -0.733 18531
6542 1 26 . 1 1 5 5 LEU CA C 5 52.800 52.800 52.859 -0.059 18531
6543 1 26 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.329 -3.729 18531
6544 1 26 . 1 1 5 5 LEU H H 5 8.620 8.620 8.693 -0.073 18531
6545 1 26 . 1 1 6 6 VAL N N 6 127.000 127.000 125.871 1.129 18531
6546 1 26 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.290 -0.130 18531
6547 1 26 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.564 0.736 18531
6548 1 26 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.498 -0.798 18531
6549 1 26 . 1 1 6 6 VAL H H 6 9.190 9.190 7.843 1.347 18531
6550 1 26 . 1 1 7 7 ILE N N 7 125.400 125.400 128.550 -3.150 18531
6551 1 26 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.132 -0.042 18531
6552 1 26 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.927 -0.227 18531
6553 1 26 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.459 0.541 18531
6554 1 26 . 1 1 7 7 ILE H H 7 8.800 8.800 8.588 0.212 18531
6555 1 26 . 1 1 8 8 ASN N N 8 128.900 128.900 127.596 1.304 18531
6556 1 26 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.995 0.285 18531
6557 1 26 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.270 -1.470 18531
6558 1 26 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.691 -0.592 18531
6559 1 26 . 1 1 8 8 ASN H H 8 8.990 8.990 7.922 1.068 18531
6560 1 26 . 1 1 9 9 GLY N N 9 110.200 110.200 107.345 2.855 18531
6561 1 26 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.349 0.351 18531
6562 1 26 . 1 1 9 9 GLY H H 9 7.920 7.920 8.079 -0.159 18531
6563 1 26 . 1 1 10 10 LYS N N 10 120.700 120.700 121.436 -0.736 18531
6564 1 26 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.050 0.010 18531
6565 1 26 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.629 0.571 18531
6566 1 26 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.028 0.872 18531
6567 1 26 . 1 1 10 10 LYS H H 10 9.520 9.520 8.636 0.884 18531
6568 1 26 . 1 1 11 11 THR N N 11 108.900 108.900 109.386 -0.486 18531
6569 1 26 . 1 1 11 11 THR HA H 11 4.360 4.360 4.349 0.011 18531
6570 1 26 . 1 1 11 11 THR CA C 11 62.000 62.000 61.689 0.311 18531
6571 1 26 . 1 1 11 11 THR CB C 11 69.800 69.800 70.445 -0.645 18531
6572 1 26 . 1 1 11 11 THR H H 11 8.790 8.790 7.869 0.921 18531
6573 1 26 . 1 1 12 12 LEU N N 12 125.700 125.700 123.585 2.115 18531
6574 1 26 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.547 -0.107 18531
6575 1 26 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.445 0.555 18531
6576 1 26 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.441 -0.142 18531
6577 1 26 . 1 1 12 12 LEU H H 12 7.580 7.580 7.978 -0.398 18531
6578 1 26 . 1 1 13 13 LYS N N 13 123.500 123.500 124.675 -1.175 18531
6579 1 26 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.956 0.164 18531
6580 1 26 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.195 -1.295 18531
6581 1 26 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.743 -0.943 18531
6582 1 26 . 1 1 13 13 LYS H H 13 8.140 8.140 8.457 -0.317 18531
6583 1 26 . 1 1 14 14 GLY N N 14 109.100 109.100 110.646 -1.546 18531
6584 1 26 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.932 -0.732 18531
6585 1 26 . 1 1 14 14 GLY H H 14 8.340 8.340 8.817 -0.477 18531
6586 1 26 . 1 1 15 15 GLU N N 15 118.200 118.200 118.910 -0.710 18531
6587 1 26 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.809 0.791 18531
6588 1 26 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.193 -1.693 18531
6589 1 26 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.599 0.202 18531
6590 1 26 . 1 1 15 15 GLU H H 15 8.390 8.390 8.575 -0.185 18531
6591 1 26 . 1 1 16 16 THR N N 16 115.600 115.600 117.521 -1.921 18531
6592 1 26 . 1 1 16 16 THR HA H 16 4.730 4.730 4.811 -0.081 18531
6593 1 26 . 1 1 16 16 THR CA C 16 60.600 60.600 60.919 -0.319 18531
6594 1 26 . 1 1 16 16 THR CB C 16 69.500 69.500 70.337 -0.837 18531
6595 1 26 . 1 1 16 16 THR H H 16 8.820 8.820 8.195 0.624 18531
6596 1 26 . 1 1 17 17 THR N N 17 111.800 111.800 114.704 -2.904 18531
6597 1 26 . 1 1 17 17 THR HA H 17 5.790 5.790 5.546 0.244 18531
6598 1 26 . 1 1 17 17 THR CA C 17 59.800 59.800 59.997 -0.197 18531
6599 1 26 . 1 1 17 17 THR CB C 17 73.100 73.100 72.167 0.933 18531
6600 1 26 . 1 1 17 17 THR H H 17 8.140 8.140 8.219 -0.079 18531
6601 1 26 . 1 1 18 18 THR N N 18 115.100 115.100 114.621 0.479 18531
6602 1 26 . 1 1 18 18 THR HA H 18 4.640 4.640 4.544 0.096 18531
6603 1 26 . 1 1 18 18 THR CA C 18 61.900 61.900 61.250 0.650 18531
6604 1 26 . 1 1 18 18 THR CB C 18 70.000 70.000 70.411 -0.411 18531
6605 1 26 . 1 1 18 18 THR H H 18 8.930 8.930 8.672 0.258 18531
6606 1 26 . 1 1 19 19 LYS N N 19 124.300 124.300 125.981 -1.681 18531
6607 1 26 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.391 0.939 18531
6608 1 26 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.124 -0.124 18531
6609 1 26 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.012 -0.212 18531
6610 1 26 . 1 1 19 19 LYS H H 19 7.950 7.950 8.285 -0.335 18531
6611 1 26 . 1 1 20 20 ALA N N 20 124.600 124.600 125.463 -0.863 18531
6612 1 26 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.513 0.267 18531
6613 1 26 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.461 -0.561 18531
6614 1 26 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.234 2.566 18531
6615 1 26 . 1 1 20 20 ALA H H 20 9.110 9.110 7.742 1.368 18531
6616 1 26 . 1 1 21 21 VAL N N 21 115.300 115.300 119.347 -4.047 18531
6617 1 26 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.194 -0.084 18531
6618 1 26 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.224 -0.924 18531
6619 1 26 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.814 0.387 18531
6620 1 26 . 1 1 21 21 VAL H H 21 8.480 8.480 8.544 -0.064 18531
6621 1 26 . 1 1 22 22 ASP N N 22 115.200 115.200 119.338 -4.138 18531
6622 1 26 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.753 -0.043 18531
6623 1 26 . 1 1 22 22 ASP CA C 22 52.400 52.400 54.053 -1.653 18531
6624 1 26 . 1 1 22 22 ASP CB C 22 42.200 42.200 43.036 -0.836 18531
6625 1 26 . 1 1 22 22 ASP H H 22 7.310 7.310 7.695 -0.385 18531
6626 1 26 . 1 1 23 23 ALA N N 23 121.000 121.000 126.795 -5.795 18531
6627 1 26 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.848 -0.508 18531
6628 1 26 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.113 -0.213 18531
6629 1 26 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.931 -1.431 18531
6630 1 26 . 1 1 23 23 ALA H H 23 8.370 8.370 8.878 -0.508 18531
6631 1 26 . 1 1 24 24 GLU N N 24 118.900 118.900 115.984 2.916 18531
6632 1 26 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.309 -0.449 18531
6633 1 26 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.654 1.046 18531
6634 1 26 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.013 0.087 18531
6635 1 26 . 1 1 24 24 GLU H H 24 8.410 8.410 9.081 -0.671 18531
6636 1 26 . 1 1 25 25 THR N N 25 117.400 117.400 116.256 1.144 18531
6637 1 26 . 1 1 25 25 THR HA H 25 3.670 3.670 4.060 -0.390 18531
6638 1 26 . 1 1 25 25 THR CA C 25 66.800 66.800 66.290 0.511 18531
6639 1 26 . 1 1 25 25 THR CB C 25 68.000 68.000 68.750 -0.750 18531
6640 1 26 . 1 1 25 25 THR H H 25 8.380 8.380 7.515 0.865 18531
6641 1 26 . 1 1 26 26 ALA N N 26 125.100 125.100 123.863 1.237 18531
6642 1 26 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.033 -0.843 18531
6643 1 26 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.544 0.456 18531
6644 1 26 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.252 -0.952 18531
6645 1 26 . 1 1 26 26 ALA H H 26 7.220 7.220 7.839 -0.619 18531
6646 1 26 . 1 1 27 27 GLU N N 27 117.400 117.400 118.347 -0.947 18531
6647 1 26 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.795 -1.205 18531
6648 1 26 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.697 0.003 18531
6649 1 26 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.312 -0.112 18531
6650 1 26 . 1 1 27 27 GLU H H 27 8.370 8.370 7.869 0.501 18531
6651 1 26 . 1 1 28 28 LYS N N 28 116.300 116.300 118.153 -1.853 18531
6652 1 26 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.059 -0.389 18531
6653 1 26 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.084 0.516 18531
6654 1 26 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.125 0.075 18531
6655 1 26 . 1 1 28 28 LYS H H 28 7.170 7.170 7.627 -0.457 18531
6656 1 26 . 1 1 29 29 ALA N N 29 122.000 122.000 122.390 -0.390 18531
6657 1 26 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.223 -0.133 18531
6658 1 26 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.472 0.228 18531
6659 1 26 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.236 -0.736 18531
6660 1 26 . 1 1 29 29 ALA H H 29 7.200 7.200 7.499 -0.299 18531
6661 1 26 . 1 1 30 30 PHE N N 30 119.600 119.600 118.635 0.965 18531
6662 1 26 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.296 0.484 18531
6663 1 26 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.325 -3.725 18531
6664 1 26 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.581 -1.181 18531
6665 1 26 . 1 1 30 30 PHE H H 30 8.610 8.610 8.582 0.028 18531
6666 1 26 . 1 1 31 31 LYS N N 31 122.800 122.800 118.195 4.605 18531
6667 1 26 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.752 0.338 18531
6668 1 26 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.237 0.463 18531
6669 1 26 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.451 0.149 18531
6670 1 26 . 1 1 31 31 LYS H H 31 9.030 9.030 7.984 1.046 18531
6671 1 26 . 1 1 32 32 GLN N N 32 119.600 119.600 119.244 0.356 18531
6672 1 26 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.036 -0.006 18531
6673 1 26 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.462 -0.762 18531
6674 1 26 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.568 -0.468 18531
6675 1 26 . 1 1 32 32 GLN H H 32 7.510 7.510 7.737 -0.227 18531
6676 1 26 . 1 1 33 33 TYR N N 33 120.400 120.400 120.503 -0.103 18531
6677 1 26 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.097 0.153 18531
6678 1 26 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.494 0.306 18531
6679 1 26 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.397 0.303 18531
6680 1 26 . 1 1 33 33 TYR H H 33 8.080 8.080 7.741 0.339 18531
6681 1 26 . 1 1 34 34 ALA N N 34 122.300 122.300 121.681 0.619 18531
6682 1 26 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.162 -0.382 18531
6683 1 26 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.298 0.802 18531
6684 1 26 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.742 -1.042 18531
6685 1 26 . 1 1 34 34 ALA H H 34 9.210 9.210 8.032 1.178 18531
6686 1 26 . 1 1 35 35 ASN N N 35 117.700 117.700 117.716 -0.016 18531
6687 1 26 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.467 -0.007 18531
6688 1 26 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.887 1.113 18531
6689 1 26 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.058 0.942 18531
6690 1 26 . 1 1 35 35 ASN H H 35 8.390 8.390 8.413 -0.023 18531
6691 1 26 . 1 1 36 36 ASP N N 36 121.100 121.100 121.065 0.035 18531
6692 1 26 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.433 -0.073 18531
6693 1 26 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.844 -0.144 18531
6694 1 26 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.434 -0.433 18531
6695 1 26 . 1 1 36 36 ASP H H 36 8.830 8.830 8.777 0.053 18531
6696 1 26 . 1 1 37 37 ASN N N 37 115.200 115.200 113.843 1.357 18531
6697 1 26 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.747 -0.137 18531
6698 1 26 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.355 0.345 18531
6699 1 26 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.255 0.745 18531
6700 1 26 . 1 1 37 37 ASN H H 37 7.390 7.390 7.666 -0.276 18531
6701 1 26 . 1 1 38 38 GLY N N 38 108.200 108.200 108.506 -0.306 18531
6702 1 26 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.904 0.496 18531
6703 1 26 . 1 1 38 38 GLY H H 38 7.800 7.800 8.138 -0.338 18531
6704 1 26 . 1 1 39 39 VAL N N 39 120.800 120.800 121.308 -0.508 18531
6705 1 26 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.164 -0.024 18531
6706 1 26 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.046 -0.346 18531
6707 1 26 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.196 2.104 18531
6708 1 26 . 1 1 39 39 VAL H H 39 8.120 8.120 8.077 0.043 18531
6709 1 26 . 1 1 40 40 ASP N N 40 128.000 128.000 127.825 0.175 18531
6710 1 26 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.130 -0.240 18531
6711 1 26 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.943 -0.143 18531
6712 1 26 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.856 -1.756 18531
6713 1 26 . 1 1 40 40 ASP H H 40 8.770 8.770 8.045 0.725 18531
6714 1 26 . 1 1 41 41 GLY N N 41 107.100 107.100 108.661 -1.561 18531
6715 1 26 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.288 0.112 18531
6716 1 26 . 1 1 41 41 GLY H H 41 7.910 7.910 8.327 -0.417 18531
6717 1 26 . 1 1 42 42 VAL N N 42 120.300 120.300 122.809 -2.509 18531
6718 1 26 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.318 0.062 18531
6719 1 26 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.460 -0.360 18531
6720 1 26 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.086 0.314 18531
6721 1 26 . 1 1 42 42 VAL H H 42 8.250 8.250 8.238 0.012 18531
6722 1 26 . 1 1 43 43 TRP N N 43 130.700 130.700 128.205 2.495 18531
6723 1 26 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.309 0.051 18531
6724 1 26 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.180 1.420 18531
6725 1 26 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.337 -2.137 18531
6726 1 26 . 1 1 43 43 TRP H H 43 9.360 9.360 8.565 0.795 18531
6727 1 26 . 1 1 44 44 THR N N 44 114.500 114.500 116.804 -2.304 18531
6728 1 26 . 1 1 44 44 THR HA H 44 4.830 4.830 4.638 0.192 18531
6729 1 26 . 1 1 44 44 THR CA C 44 60.300 60.300 61.405 -1.105 18531
6730 1 26 . 1 1 44 44 THR CB C 44 72.100 72.100 70.530 1.570 18531
6731 1 26 . 1 1 44 44 THR H H 44 9.400 9.400 8.642 0.758 18531
6732 1 26 . 1 1 45 45 TYR N N 45 120.100 120.100 128.497 -8.397 18531
6733 1 26 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.801 0.169 18531
6734 1 26 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.374 1.625 18531
6735 1 26 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.151 1.449 18531
6736 1 26 . 1 1 45 45 TYR H H 45 8.580 8.580 8.764 -0.184 18531
6737 1 26 . 1 1 46 46 ASP N N 46 128.300 128.300 129.310 -1.010 18531
6738 1 26 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.484 0.096 18531
6739 1 26 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.659 0.241 18531
6740 1 26 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.478 1.622 18531
6741 1 26 . 1 1 46 46 ASP H H 46 7.580 7.580 7.892 -0.312 18531
6742 1 26 . 1 1 47 47 ASP N N 47 124.800 124.800 125.448 -0.648 18531
6743 1 26 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.158 -0.048 18531
6744 1 26 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.773 -0.273 18531
6745 1 26 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.229 1.871 18531
6746 1 26 . 1 1 47 47 ASP H H 47 8.590 8.590 8.105 0.485 18531
6747 1 26 . 1 1 48 48 ALA N N 48 119.700 119.700 122.471 -2.771 18531
6748 1 26 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.028 0.062 18531
6749 1 26 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.474 0.526 18531
6750 1 26 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.966 -0.666 18531
6751 1 26 . 1 1 48 48 ALA H H 48 8.340 8.340 7.771 0.569 18531
6752 1 26 . 1 1 49 49 THR N N 49 103.200 103.200 106.570 -3.370 18531
6753 1 26 . 1 1 49 49 THR HA H 49 4.390 4.390 4.415 -0.025 18531
6754 1 26 . 1 1 49 49 THR CA C 49 60.200 60.200 60.432 -0.232 18531
6755 1 26 . 1 1 49 49 THR CB C 49 70.000 70.000 68.925 1.075 18531
6756 1 26 . 1 1 49 49 THR H H 49 7.000 7.000 7.705 -0.705 18531
6757 1 26 . 1 1 50 50 LYS N N 50 123.100 123.100 119.135 3.965 18531
6758 1 26 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.904 0.286 18531
6759 1 26 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.430 -0.830 18531
6760 1 26 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.823 -1.224 18531
6761 1 26 . 1 1 50 50 LYS H H 50 7.860 7.860 7.748 0.112 18531
6762 1 26 . 1 1 51 51 THR N N 51 111.200 111.200 115.593 -4.393 18531
6763 1 26 . 1 1 51 51 THR HA H 51 5.490 5.490 5.060 0.430 18531
6764 1 26 . 1 1 51 51 THR CA C 51 62.300 62.300 62.264 0.036 18531
6765 1 26 . 1 1 51 51 THR CB C 51 72.100 72.100 70.952 1.148 18531
6766 1 26 . 1 1 51 51 THR H H 51 7.390 7.390 7.411 -0.021 18531
6767 1 26 . 1 1 52 52 PHE N N 52 131.000 131.000 127.992 3.008 18531
6768 1 26 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.513 0.117 18531
6769 1 26 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.091 1.209 18531
6770 1 26 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.890 1.710 18531
6771 1 26 . 1 1 52 52 PHE H H 52 10.390 10.390 9.353 1.037 18531
6772 1 26 . 1 1 53 53 THR N N 53 117.400 117.400 118.364 -0.964 18531
6773 1 26 . 1 1 53 53 THR HA H 53 5.270 5.270 4.391 0.879 18531
6774 1 26 . 1 1 53 53 THR CA C 53 61.200 61.200 61.010 0.190 18531
6775 1 26 . 1 1 53 53 THR CB C 53 71.000 71.000 70.524 0.476 18531
6776 1 26 . 1 1 53 53 THR H H 53 9.180 9.180 8.833 0.347 18531
6777 1 26 . 1 1 54 54 VAL N N 54 123.000 123.000 123.070 -0.070 18531
6778 1 26 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.505 0.955 18531
6779 1 26 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.079 -1.979 18531
6780 1 26 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.844 -1.544 18531
6781 1 26 . 1 1 54 54 VAL H H 54 8.280 8.280 7.633 0.647 18531
6782 1 26 . 1 1 55 55 THR N N 55 123.900 123.900 121.866 2.034 18531
6783 1 26 . 1 1 55 55 THR HA H 55 4.700 4.700 4.660 0.040 18531
6784 1 26 . 1 1 55 55 THR CA C 55 61.200 61.200 60.070 1.130 18531
6785 1 26 . 1 1 55 55 THR CB C 55 70.700 70.700 70.755 -0.055 18531
6786 1 26 . 1 1 55 55 THR H H 55 8.320 8.320 7.701 0.619 18531
6787 1 27 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.781 0.269 18531
6788 1 27 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.495 1.105 18531
6789 1 27 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.961 0.739 18531
6790 1 27 . 1 1 2 2 GLN H H 2 8.410 8.410 8.108 0.302 18531
6791 1 27 . 1 1 3 3 TYR N N 3 124.000 124.000 122.514 1.486 18531
6792 1 27 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.129 0.231 18531
6793 1 27 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.211 -0.111 18531
6794 1 27 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.310 2.290 18531
6795 1 27 . 1 1 3 3 TYR H H 3 9.070 9.070 9.112 -0.042 18531
6796 1 27 . 1 1 4 4 LYS N N 4 122.500 122.500 121.924 0.576 18531
6797 1 27 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.138 0.082 18531
6798 1 27 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.012 -0.012 18531
6799 1 27 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.689 -0.689 18531
6800 1 27 . 1 1 4 4 LYS H H 4 9.100 9.100 8.525 0.575 18531
6801 1 27 . 1 1 5 5 LEU N N 5 126.400 126.400 124.760 1.640 18531
6802 1 27 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.767 0.203 18531
6803 1 27 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.302 -0.502 18531
6804 1 27 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.309 -3.708 18531
6805 1 27 . 1 1 5 5 LEU H H 5 8.620 8.620 8.703 -0.083 18531
6806 1 27 . 1 1 6 6 VAL N N 6 127.000 127.000 125.472 1.528 18531
6807 1 27 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.253 -0.093 18531
6808 1 27 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.916 0.384 18531
6809 1 27 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.803 -0.103 18531
6810 1 27 . 1 1 6 6 VAL H H 6 9.190 9.190 8.159 1.031 18531
6811 1 27 . 1 1 7 7 ILE N N 7 125.400 125.400 129.136 -3.736 18531
6812 1 27 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.106 -0.016 18531
6813 1 27 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.023 -0.323 18531
6814 1 27 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.273 0.727 18531
6815 1 27 . 1 1 7 7 ILE H H 7 8.800 8.800 8.935 -0.135 18531
6816 1 27 . 1 1 8 8 ASN N N 8 128.900 128.900 127.373 1.527 18531
6817 1 27 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.025 0.255 18531
6818 1 27 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.297 -1.497 18531
6819 1 27 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.640 -0.540 18531
6820 1 27 . 1 1 8 8 ASN H H 8 8.990 8.990 7.989 1.001 18531
6821 1 27 . 1 1 9 9 GLY N N 9 110.200 110.200 107.513 2.687 18531
6822 1 27 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.160 0.540 18531
6823 1 27 . 1 1 9 9 GLY H H 9 7.920 7.920 8.338 -0.418 18531
6824 1 27 . 1 1 10 10 LYS N N 10 120.700 120.700 122.863 -2.163 18531
6825 1 27 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.054 0.006 18531
6826 1 27 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.998 0.202 18531
6827 1 27 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.580 0.320 18531
6828 1 27 . 1 1 10 10 LYS H H 10 9.520 9.520 8.846 0.674 18531
6829 1 27 . 1 1 11 11 THR N N 11 108.900 108.900 108.366 0.534 18531
6830 1 27 . 1 1 11 11 THR HA H 11 4.360 4.360 4.413 -0.053 18531
6831 1 27 . 1 1 11 11 THR CA C 11 62.000 62.000 62.271 -0.271 18531
6832 1 27 . 1 1 11 11 THR CB C 11 69.800 69.800 70.537 -0.737 18531
6833 1 27 . 1 1 11 11 THR H H 11 8.790 8.790 7.964 0.826 18531
6834 1 27 . 1 1 12 12 LEU N N 12 125.700 125.700 123.684 2.016 18531
6835 1 27 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.539 -0.099 18531
6836 1 27 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.547 0.453 18531
6837 1 27 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.477 -0.177 18531
6838 1 27 . 1 1 12 12 LEU H H 12 7.580 7.580 8.227 -0.647 18531
6839 1 27 . 1 1 13 13 LYS N N 13 123.500 123.500 124.569 -1.069 18531
6840 1 27 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.176 -0.056 18531
6841 1 27 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.216 -1.316 18531
6842 1 27 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.345 -0.545 18531
6843 1 27 . 1 1 13 13 LYS H H 13 8.140 8.140 8.505 -0.365 18531
6844 1 27 . 1 1 14 14 GLY N N 14 109.100 109.100 112.080 -2.980 18531
6845 1 27 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.781 -0.581 18531
6846 1 27 . 1 1 14 14 GLY H H 14 8.340 8.340 8.882 -0.542 18531
6847 1 27 . 1 1 15 15 GLU N N 15 118.200 118.200 118.279 -0.079 18531
6848 1 27 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.876 0.724 18531
6849 1 27 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.129 -0.629 18531
6850 1 27 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.878 -0.078 18531
6851 1 27 . 1 1 15 15 GLU H H 15 8.390 8.390 8.534 -0.144 18531
6852 1 27 . 1 1 16 16 THR N N 16 115.600 115.600 114.489 1.111 18531
6853 1 27 . 1 1 16 16 THR HA H 16 4.730 4.730 4.701 0.029 18531
6854 1 27 . 1 1 16 16 THR CA C 16 60.600 60.600 61.229 -0.629 18531
6855 1 27 . 1 1 16 16 THR CB C 16 69.500 69.500 70.014 -0.514 18531
6856 1 27 . 1 1 16 16 THR H H 16 8.820 8.820 8.174 0.646 18531
6857 1 27 . 1 1 17 17 THR N N 17 111.800 111.800 116.038 -4.238 18531
6858 1 27 . 1 1 17 17 THR HA H 17 5.790 5.790 5.514 0.276 18531
6859 1 27 . 1 1 17 17 THR CA C 17 59.800 59.800 60.151 -0.351 18531
6860 1 27 . 1 1 17 17 THR CB C 17 73.100 73.100 71.919 1.181 18531
6861 1 27 . 1 1 17 17 THR H H 17 8.140 8.140 8.318 -0.178 18531
6862 1 27 . 1 1 18 18 THR N N 18 115.100 115.100 114.410 0.690 18531
6863 1 27 . 1 1 18 18 THR HA H 18 4.640 4.640 4.554 0.086 18531
6864 1 27 . 1 1 18 18 THR CA C 18 61.900 61.900 60.921 0.979 18531
6865 1 27 . 1 1 18 18 THR CB C 18 70.000 70.000 69.350 0.650 18531
6866 1 27 . 1 1 18 18 THR H H 18 8.930 8.930 8.823 0.107 18531
6867 1 27 . 1 1 19 19 LYS N N 19 124.300 124.300 120.376 3.924 18531
6868 1 27 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.930 0.400 18531
6869 1 27 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.808 -0.808 18531
6870 1 27 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.367 -1.567 18531
6871 1 27 . 1 1 19 19 LYS H H 19 7.950 7.950 8.262 -0.312 18531
6872 1 27 . 1 1 20 20 ALA N N 20 124.600 124.600 125.880 -1.280 18531
6873 1 27 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.754 0.026 18531
6874 1 27 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.932 -1.032 18531
6875 1 27 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.334 2.466 18531
6876 1 27 . 1 1 20 20 ALA H H 20 9.110 9.110 8.923 0.187 18531
6877 1 27 . 1 1 21 21 VAL N N 21 115.300 115.300 116.015 -0.715 18531
6878 1 27 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.870 0.240 18531
6879 1 27 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.682 -1.382 18531
6880 1 27 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.576 0.624 18531
6881 1 27 . 1 1 21 21 VAL H H 21 8.480 8.480 8.715 -0.235 18531
6882 1 27 . 1 1 22 22 ASP N N 22 115.200 115.200 115.038 0.162 18531
6883 1 27 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.835 -0.125 18531
6884 1 27 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.433 -0.033 18531
6885 1 27 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.462 -0.262 18531
6886 1 27 . 1 1 22 22 ASP H H 22 7.310 7.310 7.603 -0.293 18531
6887 1 27 . 1 1 23 23 ALA N N 23 121.000 121.000 122.079 -1.079 18531
6888 1 27 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.826 -0.486 18531
6889 1 27 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.680 0.220 18531
6890 1 27 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.679 -1.179 18531
6891 1 27 . 1 1 23 23 ALA H H 23 8.370 8.370 8.681 -0.311 18531
6892 1 27 . 1 1 24 24 GLU N N 24 118.900 118.900 119.239 -0.339 18531
6893 1 27 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.932 -0.072 18531
6894 1 27 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.025 0.675 18531
6895 1 27 . 1 1 24 24 GLU CB C 24 29.100 29.100 27.804 1.296 18531
6896 1 27 . 1 1 24 24 GLU H H 24 8.410 8.410 8.628 -0.218 18531
6897 1 27 . 1 1 25 25 THR N N 25 117.400 117.400 116.534 0.866 18531
6898 1 27 . 1 1 25 25 THR HA H 25 3.670 3.670 4.012 -0.342 18531
6899 1 27 . 1 1 25 25 THR CA C 25 66.800 66.800 66.230 0.570 18531
6900 1 27 . 1 1 25 25 THR CB C 25 68.000 68.000 68.588 -0.588 18531
6901 1 27 . 1 1 25 25 THR H H 25 8.380 8.380 7.724 0.656 18531
6902 1 27 . 1 1 26 26 ALA N N 26 125.100 125.100 124.267 0.833 18531
6903 1 27 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.856 -0.666 18531
6904 1 27 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.788 0.212 18531
6905 1 27 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.869 -0.569 18531
6906 1 27 . 1 1 26 26 ALA H H 26 7.220 7.220 7.414 -0.194 18531
6907 1 27 . 1 1 27 27 GLU N N 27 117.400 117.400 117.305 0.095 18531
6908 1 27 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.751 -1.161 18531
6909 1 27 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.078 0.622 18531
6910 1 27 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.485 -0.285 18531
6911 1 27 . 1 1 27 27 GLU H H 27 8.370 8.370 8.400 -0.030 18531
6912 1 27 . 1 1 28 28 LYS N N 28 116.300 116.300 118.880 -2.580 18531
6913 1 27 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.090 -0.420 18531
6914 1 27 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.120 1.480 18531
6915 1 27 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.227 -0.027 18531
6916 1 27 . 1 1 28 28 LYS H H 28 7.170 7.170 7.466 -0.296 18531
6917 1 27 . 1 1 29 29 ALA N N 29 122.000 122.000 122.433 -0.433 18531
6918 1 27 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.104 -0.014 18531
6919 1 27 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.590 0.111 18531
6920 1 27 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.339 -0.839 18531
6921 1 27 . 1 1 29 29 ALA H H 29 7.200 7.200 7.171 0.029 18531
6922 1 27 . 1 1 30 30 PHE N N 30 119.600 119.600 118.368 1.232 18531
6923 1 27 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.117 0.663 18531
6924 1 27 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.715 -4.115 18531
6925 1 27 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.316 -0.916 18531
6926 1 27 . 1 1 30 30 PHE H H 30 8.610 8.610 8.687 -0.077 18531
6927 1 27 . 1 1 31 31 LYS N N 31 122.800 122.800 117.936 4.864 18531
6928 1 27 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.554 0.536 18531
6929 1 27 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.367 0.334 18531
6930 1 27 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.858 -0.258 18531
6931 1 27 . 1 1 31 31 LYS H H 31 9.030 9.030 7.605 1.425 18531
6932 1 27 . 1 1 32 32 GLN N N 32 119.600 119.600 118.953 0.647 18531
6933 1 27 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.050 -0.020 18531
6934 1 27 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.471 -0.771 18531
6935 1 27 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.519 -0.419 18531
6936 1 27 . 1 1 32 32 GLN H H 32 7.510 7.510 7.866 -0.356 18531
6937 1 27 . 1 1 33 33 TYR N N 33 120.400 120.400 120.339 0.061 18531
6938 1 27 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.111 0.139 18531
6939 1 27 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.430 0.370 18531
6940 1 27 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.241 0.459 18531
6941 1 27 . 1 1 33 33 TYR H H 33 8.080 8.080 7.763 0.317 18531
6942 1 27 . 1 1 34 34 ALA N N 34 122.300 122.300 121.218 1.082 18531
6943 1 27 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.133 -0.353 18531
6944 1 27 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.228 0.872 18531
6945 1 27 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.685 -0.985 18531
6946 1 27 . 1 1 34 34 ALA H H 34 9.210 9.210 7.954 1.256 18531
6947 1 27 . 1 1 35 35 ASN N N 35 117.700 117.700 117.189 0.511 18531
6948 1 27 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.471 -0.011 18531
6949 1 27 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.986 1.014 18531
6950 1 27 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.080 0.920 18531
6951 1 27 . 1 1 35 35 ASN H H 35 8.390 8.390 8.035 0.355 18531
6952 1 27 . 1 1 36 36 ASP N N 36 121.100 121.100 120.628 0.472 18531
6953 1 27 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.377 -0.017 18531
6954 1 27 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.111 -0.411 18531
6955 1 27 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.455 -0.455 18531
6956 1 27 . 1 1 36 36 ASP H H 36 8.830 8.830 8.750 0.080 18531
6957 1 27 . 1 1 37 37 ASN N N 37 115.200 115.200 114.018 1.182 18531
6958 1 27 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.731 -0.121 18531
6959 1 27 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.367 0.333 18531
6960 1 27 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.244 0.756 18531
6961 1 27 . 1 1 37 37 ASN H H 37 7.390 7.390 7.675 -0.285 18531
6962 1 27 . 1 1 38 38 GLY N N 38 108.200 108.200 108.495 -0.295 18531
6963 1 27 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.846 0.554 18531
6964 1 27 . 1 1 38 38 GLY H H 38 7.800 7.800 8.117 -0.317 18531
6965 1 27 . 1 1 39 39 VAL N N 39 120.800 120.800 121.344 -0.544 18531
6966 1 27 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.394 -0.255 18531
6967 1 27 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.182 -0.482 18531
6968 1 27 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.375 1.925 18531
6969 1 27 . 1 1 39 39 VAL H H 39 8.120 8.120 7.966 0.154 18531
6970 1 27 . 1 1 40 40 ASP N N 40 128.000 128.000 127.539 0.461 18531
6971 1 27 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.119 -0.229 18531
6972 1 27 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.657 0.142 18531
6973 1 27 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.742 -1.642 18531
6974 1 27 . 1 1 40 40 ASP H H 40 8.770 8.770 8.062 0.708 18531
6975 1 27 . 1 1 41 41 GLY N N 41 107.100 107.100 109.117 -2.017 18531
6976 1 27 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.402 -0.002 18531
6977 1 27 . 1 1 41 41 GLY H H 41 7.910 7.910 8.401 -0.491 18531
6978 1 27 . 1 1 42 42 VAL N N 42 120.300 120.300 123.382 -3.082 18531
6979 1 27 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.538 -0.158 18531
6980 1 27 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.974 1.126 18531
6981 1 27 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.905 0.495 18531
6982 1 27 . 1 1 42 42 VAL H H 42 8.250 8.250 7.967 0.283 18531
6983 1 27 . 1 1 43 43 TRP N N 43 130.700 130.700 129.965 0.735 18531
6984 1 27 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.792 -0.432 18531
6985 1 27 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.921 1.679 18531
6986 1 27 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.518 -2.318 18531
6987 1 27 . 1 1 43 43 TRP H H 43 9.360 9.360 8.644 0.716 18531
6988 1 27 . 1 1 44 44 THR N N 44 114.500 114.500 113.371 1.129 18531
6989 1 27 . 1 1 44 44 THR HA H 44 4.830 4.830 4.719 0.111 18531
6990 1 27 . 1 1 44 44 THR CA C 44 60.300 60.300 60.530 -0.230 18531
6991 1 27 . 1 1 44 44 THR CB C 44 72.100 72.100 71.938 0.162 18531
6992 1 27 . 1 1 44 44 THR H H 44 9.400 9.400 8.855 0.545 18531
6993 1 27 . 1 1 45 45 TYR N N 45 120.100 120.100 121.371 -1.271 18531
6994 1 27 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.368 0.602 18531
6995 1 27 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.285 -0.285 18531
6996 1 27 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.751 -0.151 18531
6997 1 27 . 1 1 45 45 TYR H H 45 8.580 8.580 8.401 0.179 18531
6998 1 27 . 1 1 46 46 ASP N N 46 128.300 128.300 127.630 0.670 18531
6999 1 27 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.554 0.026 18531
7000 1 27 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.018 -0.118 18531
7001 1 27 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.937 1.163 18531
7002 1 27 . 1 1 46 46 ASP H H 46 7.580 7.580 7.794 -0.214 18531
7003 1 27 . 1 1 47 47 ASP N N 47 124.800 124.800 125.742 -0.942 18531
7004 1 27 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.101 0.009 18531
7005 1 27 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.351 0.149 18531
7006 1 27 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.463 1.637 18531
7007 1 27 . 1 1 47 47 ASP H H 47 8.590 8.590 8.072 0.518 18531
7008 1 27 . 1 1 48 48 ALA N N 48 119.700 119.700 121.526 -1.826 18531
7009 1 27 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.022 0.068 18531
7010 1 27 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.590 0.410 18531
7011 1 27 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.823 -0.523 18531
7012 1 27 . 1 1 48 48 ALA H H 48 8.340 8.340 7.796 0.544 18531
7013 1 27 . 1 1 49 49 THR N N 49 103.200 103.200 107.544 -4.344 18531
7014 1 27 . 1 1 49 49 THR HA H 49 4.390 4.390 4.417 -0.027 18531
7015 1 27 . 1 1 49 49 THR CA C 49 60.200 60.200 60.107 0.093 18531
7016 1 27 . 1 1 49 49 THR CB C 49 70.000 70.000 68.894 1.106 18531
7017 1 27 . 1 1 49 49 THR H H 49 7.000 7.000 7.627 -0.627 18531
7018 1 27 . 1 1 50 50 LYS N N 50 123.100 123.100 119.707 3.393 18531
7019 1 27 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.049 0.141 18531
7020 1 27 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.781 -1.181 18531
7021 1 27 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.467 -0.867 18531
7022 1 27 . 1 1 50 50 LYS H H 50 7.860 7.860 7.938 -0.078 18531
7023 1 27 . 1 1 51 51 THR N N 51 111.200 111.200 114.098 -2.898 18531
7024 1 27 . 1 1 51 51 THR HA H 51 5.490 5.490 5.192 0.298 18531
7025 1 27 . 1 1 51 51 THR CA C 51 62.300 62.300 61.803 0.497 18531
7026 1 27 . 1 1 51 51 THR CB C 51 72.100 72.100 72.142 -0.042 18531
7027 1 27 . 1 1 51 51 THR H H 51 7.390 7.390 7.351 0.039 18531
7028 1 27 . 1 1 52 52 PHE N N 52 131.000 131.000 126.035 4.965 18531
7029 1 27 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.144 0.486 18531
7030 1 27 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.361 0.939 18531
7031 1 27 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.362 1.238 18531
7032 1 27 . 1 1 52 52 PHE H H 52 10.390 10.390 8.780 1.610 18531
7033 1 27 . 1 1 53 53 THR N N 53 117.400 117.400 115.141 2.259 18531
7034 1 27 . 1 1 53 53 THR HA H 53 5.270 5.270 4.430 0.840 18531
7035 1 27 . 1 1 53 53 THR CA C 53 61.200 61.200 61.902 -0.702 18531
7036 1 27 . 1 1 53 53 THR CB C 53 71.000 71.000 71.004 -0.004 18531
7037 1 27 . 1 1 53 53 THR H H 53 9.180 9.180 8.501 0.679 18531
7038 1 27 . 1 1 54 54 VAL N N 54 123.000 123.000 127.445 -4.445 18531
7039 1 27 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.872 0.588 18531
7040 1 27 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.831 -0.731 18531
7041 1 27 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.555 -0.255 18531
7042 1 27 . 1 1 54 54 VAL H H 54 8.280 8.280 7.804 0.476 18531
7043 1 27 . 1 1 55 55 THR N N 55 123.900 123.900 123.794 0.106 18531
7044 1 27 . 1 1 55 55 THR HA H 55 4.700 4.700 4.622 0.078 18531
7045 1 27 . 1 1 55 55 THR CA C 55 61.200 61.200 60.985 0.215 18531
7046 1 27 . 1 1 55 55 THR CB C 55 70.700 70.700 70.724 -0.024 18531
7047 1 27 . 1 1 55 55 THR H H 55 8.320 8.320 8.572 -0.252 18531
7048 1 28 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.447 0.603 18531
7049 1 28 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.413 0.187 18531
7050 1 28 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.630 -0.930 18531
7051 1 28 . 1 1 2 2 GLN H H 2 8.410 8.410 8.108 0.302 18531
7052 1 28 . 1 1 3 3 TYR N N 3 124.000 124.000 123.420 0.580 18531
7053 1 28 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.228 0.132 18531
7054 1 28 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.344 -0.244 18531
7055 1 28 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.577 3.023 18531
7056 1 28 . 1 1 3 3 TYR H H 3 9.070 9.070 8.916 0.154 18531
7057 1 28 . 1 1 4 4 LYS N N 4 122.500 122.500 121.583 0.917 18531
7058 1 28 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.879 0.341 18531
7059 1 28 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.785 0.215 18531
7060 1 28 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.873 0.127 18531
7061 1 28 . 1 1 4 4 LYS H H 4 9.100 9.100 9.194 -0.094 18531
7062 1 28 . 1 1 5 5 LEU N N 5 126.400 126.400 125.651 0.749 18531
7063 1 28 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.674 0.296 18531
7064 1 28 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.425 -1.625 18531
7065 1 28 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.175 -3.575 18531
7066 1 28 . 1 1 5 5 LEU H H 5 8.620 8.620 8.292 0.328 18531
7067 1 28 . 1 1 6 6 VAL N N 6 127.000 127.000 127.022 -0.022 18531
7068 1 28 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.325 -0.165 18531
7069 1 28 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.573 0.727 18531
7070 1 28 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.909 -0.209 18531
7071 1 28 . 1 1 6 6 VAL H H 6 9.190 9.190 7.872 1.318 18531
7072 1 28 . 1 1 7 7 ILE N N 7 125.400 125.400 128.822 -3.422 18531
7073 1 28 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.115 -0.025 18531
7074 1 28 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.052 -0.352 18531
7075 1 28 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.347 0.653 18531
7076 1 28 . 1 1 7 7 ILE H H 7 8.800 8.800 8.756 0.044 18531
7077 1 28 . 1 1 8 8 ASN N N 8 128.900 128.900 127.604 1.296 18531
7078 1 28 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.980 0.300 18531
7079 1 28 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.297 -1.497 18531
7080 1 28 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.659 -0.559 18531
7081 1 28 . 1 1 8 8 ASN H H 8 8.990 8.990 7.964 1.026 18531
7082 1 28 . 1 1 9 9 GLY N N 9 110.200 110.200 106.984 3.216 18531
7083 1 28 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.407 0.293 18531
7084 1 28 . 1 1 9 9 GLY H H 9 7.920 7.920 8.207 -0.287 18531
7085 1 28 . 1 1 10 10 LYS N N 10 120.700 120.700 122.943 -2.243 18531
7086 1 28 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.028 0.032 18531
7087 1 28 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.587 0.613 18531
7088 1 28 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.408 0.492 18531
7089 1 28 . 1 1 10 10 LYS H H 10 9.520 9.520 8.707 0.813 18531
7090 1 28 . 1 1 11 11 THR N N 11 108.900 108.900 108.428 0.472 18531
7091 1 28 . 1 1 11 11 THR HA H 11 4.360 4.360 4.314 0.046 18531
7092 1 28 . 1 1 11 11 THR CA C 11 62.000 62.000 62.658 -0.658 18531
7093 1 28 . 1 1 11 11 THR CB C 11 69.800 69.800 69.294 0.506 18531
7094 1 28 . 1 1 11 11 THR H H 11 8.790 8.790 7.511 1.279 18531
7095 1 28 . 1 1 12 12 LEU N N 12 125.700 125.700 123.794 1.906 18531
7096 1 28 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.625 -0.185 18531
7097 1 28 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.077 0.923 18531
7098 1 28 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.468 -0.168 18531
7099 1 28 . 1 1 12 12 LEU H H 12 7.580 7.580 7.763 -0.183 18531
7100 1 28 . 1 1 13 13 LYS N N 13 123.500 123.500 125.451 -1.951 18531
7101 1 28 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.998 0.122 18531
7102 1 28 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.293 -1.393 18531
7103 1 28 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.510 -0.710 18531
7104 1 28 . 1 1 13 13 LYS H H 13 8.140 8.140 8.514 -0.374 18531
7105 1 28 . 1 1 14 14 GLY N N 14 109.100 109.100 111.156 -2.056 18531
7106 1 28 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.963 -0.763 18531
7107 1 28 . 1 1 14 14 GLY H H 14 8.340 8.340 8.763 -0.423 18531
7108 1 28 . 1 1 15 15 GLU N N 15 118.200 118.200 118.940 -0.740 18531
7109 1 28 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.310 0.290 18531
7110 1 28 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.497 -0.997 18531
7111 1 28 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.431 0.368 18531
7112 1 28 . 1 1 15 15 GLU H H 15 8.390 8.390 8.485 -0.095 18531
7113 1 28 . 1 1 16 16 THR N N 16 115.600 115.600 113.548 2.052 18531
7114 1 28 . 1 1 16 16 THR HA H 16 4.730 4.730 4.524 0.205 18531
7115 1 28 . 1 1 16 16 THR CA C 16 60.600 60.600 62.043 -1.443 18531
7116 1 28 . 1 1 16 16 THR CB C 16 69.500 69.500 70.417 -0.917 18531
7117 1 28 . 1 1 16 16 THR H H 16 8.820 8.820 8.323 0.497 18531
7118 1 28 . 1 1 17 17 THR N N 17 111.800 111.800 114.664 -2.864 18531
7119 1 28 . 1 1 17 17 THR HA H 17 5.790 5.790 5.376 0.414 18531
7120 1 28 . 1 1 17 17 THR CA C 17 59.800 59.800 60.259 -0.459 18531
7121 1 28 . 1 1 17 17 THR CB C 17 73.100 73.100 72.418 0.682 18531
7122 1 28 . 1 1 17 17 THR H H 17 8.140 8.140 8.248 -0.108 18531
7123 1 28 . 1 1 18 18 THR N N 18 115.100 115.100 114.387 0.713 18531
7124 1 28 . 1 1 18 18 THR HA H 18 4.640 4.640 4.526 0.114 18531
7125 1 28 . 1 1 18 18 THR CA C 18 61.900 61.900 61.195 0.705 18531
7126 1 28 . 1 1 18 18 THR CB C 18 70.000 70.000 69.981 0.019 18531
7127 1 28 . 1 1 18 18 THR H H 18 8.930 8.930 8.426 0.504 18531
7128 1 28 . 1 1 19 19 LYS N N 19 124.300 124.300 125.412 -1.112 18531
7129 1 28 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.698 0.632 18531
7130 1 28 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.492 -0.492 18531
7131 1 28 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.882 -0.082 18531
7132 1 28 . 1 1 19 19 LYS H H 19 7.950 7.950 8.388 -0.438 18531
7133 1 28 . 1 1 20 20 ALA N N 20 124.600 124.600 126.133 -1.533 18531
7134 1 28 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.610 0.170 18531
7135 1 28 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.370 -0.470 18531
7136 1 28 . 1 1 20 20 ALA CB C 20 23.800 23.800 22.005 1.795 18531
7137 1 28 . 1 1 20 20 ALA H H 20 9.110 9.110 8.304 0.806 18531
7138 1 28 . 1 1 21 21 VAL N N 21 115.300 115.300 119.199 -3.899 18531
7139 1 28 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.855 0.255 18531
7140 1 28 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.837 -1.537 18531
7141 1 28 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.372 0.829 18531
7142 1 28 . 1 1 21 21 VAL H H 21 8.480 8.480 8.693 -0.213 18531
7143 1 28 . 1 1 22 22 ASP N N 22 115.200 115.200 113.882 1.318 18531
7144 1 28 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.949 -0.239 18531
7145 1 28 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.888 -0.488 18531
7146 1 28 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.469 0.731 18531
7147 1 28 . 1 1 22 22 ASP H H 22 7.310 7.310 7.704 -0.394 18531
7148 1 28 . 1 1 23 23 ALA N N 23 121.000 121.000 121.580 -0.580 18531
7149 1 28 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.720 -0.380 18531
7150 1 28 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.898 0.002 18531
7151 1 28 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.457 -0.957 18531
7152 1 28 . 1 1 23 23 ALA H H 23 8.370 8.370 8.782 -0.412 18531
7153 1 28 . 1 1 24 24 GLU N N 24 118.900 118.900 118.978 -0.078 18531
7154 1 28 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.866 -0.006 18531
7155 1 28 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.916 0.784 18531
7156 1 28 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.214 0.886 18531
7157 1 28 . 1 1 24 24 GLU H H 24 8.410 8.410 8.567 -0.157 18531
7158 1 28 . 1 1 25 25 THR N N 25 117.400 117.400 116.645 0.755 18531
7159 1 28 . 1 1 25 25 THR HA H 25 3.670 3.670 4.017 -0.347 18531
7160 1 28 . 1 1 25 25 THR CA C 25 66.800 66.800 65.742 1.058 18531
7161 1 28 . 1 1 25 25 THR CB C 25 68.000 68.000 68.812 -0.812 18531
7162 1 28 . 1 1 25 25 THR H H 25 8.380 8.380 7.843 0.537 18531
7163 1 28 . 1 1 26 26 ALA N N 26 125.100 125.100 124.234 0.866 18531
7164 1 28 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.737 -0.547 18531
7165 1 28 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.797 0.203 18531
7166 1 28 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.678 -0.378 18531
7167 1 28 . 1 1 26 26 ALA H H 26 7.220 7.220 7.485 -0.265 18531
7168 1 28 . 1 1 27 27 GLU N N 27 117.400 117.400 117.351 0.049 18531
7169 1 28 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.782 -1.192 18531
7170 1 28 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.322 0.378 18531
7171 1 28 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.380 -0.180 18531
7172 1 28 . 1 1 27 27 GLU H H 27 8.370 8.370 8.545 -0.175 18531
7173 1 28 . 1 1 28 28 LYS N N 28 116.300 116.300 119.785 -3.485 18531
7174 1 28 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.021 -0.351 18531
7175 1 28 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.992 0.608 18531
7176 1 28 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.444 -0.244 18531
7177 1 28 . 1 1 28 28 LYS H H 28 7.170 7.170 7.468 -0.298 18531
7178 1 28 . 1 1 29 29 ALA N N 29 122.000 122.000 122.612 -0.612 18531
7179 1 28 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.060 0.030 18531
7180 1 28 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.654 0.046 18531
7181 1 28 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.244 -0.744 18531
7182 1 28 . 1 1 29 29 ALA H H 29 7.200 7.200 7.382 -0.182 18531
7183 1 28 . 1 1 30 30 PHE N N 30 119.600 119.600 117.709 1.891 18531
7184 1 28 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.141 0.639 18531
7185 1 28 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.664 -4.064 18531
7186 1 28 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.260 -0.860 18531
7187 1 28 . 1 1 30 30 PHE H H 30 8.610 8.610 8.476 0.134 18531
7188 1 28 . 1 1 31 31 LYS N N 31 122.800 122.800 117.572 5.228 18531
7189 1 28 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.518 0.572 18531
7190 1 28 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.372 0.328 18531
7191 1 28 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.541 0.059 18531
7192 1 28 . 1 1 31 31 LYS H H 31 9.030 9.030 7.647 1.383 18531
7193 1 28 . 1 1 32 32 GLN N N 32 119.600 119.600 118.495 1.105 18531
7194 1 28 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.025 0.005 18531
7195 1 28 . 1 1 32 32 GLN CA C 32 58.700 58.700 60.060 -1.360 18531
7196 1 28 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.248 -0.148 18531
7197 1 28 . 1 1 32 32 GLN H H 32 7.510 7.510 7.692 -0.182 18531
7198 1 28 . 1 1 33 33 TYR N N 33 120.400 120.400 119.623 0.777 18531
7199 1 28 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.144 0.106 18531
7200 1 28 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.123 0.677 18531
7201 1 28 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.163 0.537 18531
7202 1 28 . 1 1 33 33 TYR H H 33 8.080 8.080 7.665 0.415 18531
7203 1 28 . 1 1 34 34 ALA N N 34 122.300 122.300 121.780 0.520 18531
7204 1 28 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.096 -0.316 18531
7205 1 28 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.291 0.809 18531
7206 1 28 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.697 -0.997 18531
7207 1 28 . 1 1 34 34 ALA H H 34 9.210 9.210 7.860 1.350 18531
7208 1 28 . 1 1 35 35 ASN N N 35 117.700 117.700 117.520 0.180 18531
7209 1 28 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.455 0.005 18531
7210 1 28 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.774 1.226 18531
7211 1 28 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.059 0.941 18531
7212 1 28 . 1 1 35 35 ASN H H 35 8.390 8.390 8.148 0.242 18531
7213 1 28 . 1 1 36 36 ASP N N 36 121.100 121.100 120.648 0.452 18531
7214 1 28 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.413 -0.053 18531
7215 1 28 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.735 -0.035 18531
7216 1 28 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.452 -0.452 18531
7217 1 28 . 1 1 36 36 ASP H H 36 8.830 8.830 8.723 0.107 18531
7218 1 28 . 1 1 37 37 ASN N N 37 115.200 115.200 114.828 0.372 18531
7219 1 28 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.670 -0.060 18531
7220 1 28 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.394 0.306 18531
7221 1 28 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.445 0.555 18531
7222 1 28 . 1 1 37 37 ASN H H 37 7.390 7.390 7.557 -0.167 18531
7223 1 28 . 1 1 38 38 GLY N N 38 108.200 108.200 107.691 0.509 18531
7224 1 28 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.624 0.776 18531
7225 1 28 . 1 1 38 38 GLY H H 38 7.800 7.800 7.970 -0.170 18531
7226 1 28 . 1 1 39 39 VAL N N 39 120.800 120.800 121.910 -1.110 18531
7227 1 28 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.407 -0.267 18531
7228 1 28 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.042 -0.342 18531
7229 1 28 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.609 1.691 18531
7230 1 28 . 1 1 39 39 VAL H H 39 8.120 8.120 7.995 0.125 18531
7231 1 28 . 1 1 40 40 ASP N N 40 128.000 128.000 127.382 0.618 18531
7232 1 28 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.100 -0.210 18531
7233 1 28 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.953 -0.153 18531
7234 1 28 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.590 -1.490 18531
7235 1 28 . 1 1 40 40 ASP H H 40 8.770 8.770 8.303 0.467 18531
7236 1 28 . 1 1 41 41 GLY N N 41 107.100 107.100 108.995 -1.895 18531
7237 1 28 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.274 0.126 18531
7238 1 28 . 1 1 41 41 GLY H H 41 7.910 7.910 8.362 -0.452 18531
7239 1 28 . 1 1 42 42 VAL N N 42 120.300 120.300 123.013 -2.713 18531
7240 1 28 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.393 -0.013 18531
7241 1 28 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.333 -0.233 18531
7242 1 28 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.027 0.373 18531
7243 1 28 . 1 1 42 42 VAL H H 42 8.250 8.250 8.209 0.041 18531
7244 1 28 . 1 1 43 43 TRP N N 43 130.700 130.700 126.737 3.963 18531
7245 1 28 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.725 -0.365 18531
7246 1 28 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.051 1.549 18531
7247 1 28 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.810 -2.610 18531
7248 1 28 . 1 1 43 43 TRP H H 43 9.360 9.360 8.613 0.747 18531
7249 1 28 . 1 1 44 44 THR N N 44 114.500 114.500 113.034 1.466 18531
7250 1 28 . 1 1 44 44 THR HA H 44 4.830 4.830 4.745 0.085 18531
7251 1 28 . 1 1 44 44 THR CA C 44 60.300 60.300 60.564 -0.264 18531
7252 1 28 . 1 1 44 44 THR CB C 44 72.100 72.100 71.669 0.431 18531
7253 1 28 . 1 1 44 44 THR H H 44 9.400 9.400 8.763 0.637 18531
7254 1 28 . 1 1 45 45 TYR N N 45 120.100 120.100 123.685 -3.585 18531
7255 1 28 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.465 0.505 18531
7256 1 28 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.897 0.103 18531
7257 1 28 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.338 0.262 18531
7258 1 28 . 1 1 45 45 TYR H H 45 8.580 8.580 8.480 0.100 18531
7259 1 28 . 1 1 46 46 ASP N N 46 128.300 128.300 128.598 -0.298 18531
7260 1 28 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.508 0.072 18531
7261 1 28 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.255 -0.354 18531
7262 1 28 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.938 1.163 18531
7263 1 28 . 1 1 46 46 ASP H H 46 7.580 7.580 7.804 -0.224 18531
7264 1 28 . 1 1 47 47 ASP N N 47 124.800 124.800 125.260 -0.460 18531
7265 1 28 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.356 -0.246 18531
7266 1 28 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.834 -0.334 18531
7267 1 28 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.469 1.631 18531
7268 1 28 . 1 1 47 47 ASP H H 47 8.590 8.590 8.186 0.404 18531
7269 1 28 . 1 1 48 48 ALA N N 48 119.700 119.700 122.299 -2.599 18531
7270 1 28 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.038 0.052 18531
7271 1 28 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.452 0.548 18531
7272 1 28 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.925 -0.625 18531
7273 1 28 . 1 1 48 48 ALA H H 48 8.340 8.340 8.043 0.297 18531
7274 1 28 . 1 1 49 49 THR N N 49 103.200 103.200 106.981 -3.781 18531
7275 1 28 . 1 1 49 49 THR HA H 49 4.390 4.390 4.414 -0.024 18531
7276 1 28 . 1 1 49 49 THR CA C 49 60.200 60.200 60.398 -0.198 18531
7277 1 28 . 1 1 49 49 THR CB C 49 70.000 70.000 69.186 0.814 18531
7278 1 28 . 1 1 49 49 THR H H 49 7.000 7.000 7.508 -0.508 18531
7279 1 28 . 1 1 50 50 LYS N N 50 123.100 123.100 119.453 3.647 18531
7280 1 28 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.012 0.178 18531
7281 1 28 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.632 -1.032 18531
7282 1 28 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.673 -1.073 18531
7283 1 28 . 1 1 50 50 LYS H H 50 7.860 7.860 7.869 -0.009 18531
7284 1 28 . 1 1 51 51 THR N N 51 111.200 111.200 114.898 -3.698 18531
7285 1 28 . 1 1 51 51 THR HA H 51 5.490 5.490 5.097 0.393 18531
7286 1 28 . 1 1 51 51 THR CA C 51 62.300 62.300 62.009 0.291 18531
7287 1 28 . 1 1 51 51 THR CB C 51 72.100 72.100 72.238 -0.138 18531
7288 1 28 . 1 1 51 51 THR H H 51 7.390 7.390 7.498 -0.108 18531
7289 1 28 . 1 1 52 52 PHE N N 52 131.000 131.000 123.802 7.198 18531
7290 1 28 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.421 0.209 18531
7291 1 28 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.101 1.199 18531
7292 1 28 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.068 -0.468 18531
7293 1 28 . 1 1 52 52 PHE H H 52 10.390 10.390 9.163 1.227 18531
7294 1 28 . 1 1 53 53 THR N N 53 117.400 117.400 116.787 0.613 18531
7295 1 28 . 1 1 53 53 THR HA H 53 5.270 5.270 4.450 0.820 18531
7296 1 28 . 1 1 53 53 THR CA C 53 61.200 61.200 61.651 -0.451 18531
7297 1 28 . 1 1 53 53 THR CB C 53 71.000 71.000 69.888 1.113 18531
7298 1 28 . 1 1 53 53 THR H H 53 9.180 9.180 8.478 0.702 18531
7299 1 28 . 1 1 54 54 VAL N N 54 123.000 123.000 128.325 -5.325 18531
7300 1 28 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.159 0.301 18531
7301 1 28 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.656 -0.556 18531
7302 1 28 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.374 -1.074 18531
7303 1 28 . 1 1 54 54 VAL H H 54 8.280 8.280 7.598 0.682 18531
7304 1 28 . 1 1 55 55 THR N N 55 123.900 123.900 123.303 0.597 18531
7305 1 28 . 1 1 55 55 THR HA H 55 4.700 4.700 4.651 0.049 18531
7306 1 28 . 1 1 55 55 THR CA C 55 61.200 61.200 60.449 0.751 18531
7307 1 28 . 1 1 55 55 THR CB C 55 70.700 70.700 71.122 -0.422 18531
7308 1 28 . 1 1 55 55 THR H H 55 8.320 8.320 8.009 0.311 18531
7309 1 29 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.371 -0.321 18531
7310 1 29 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.024 1.576 18531
7311 1 29 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.687 0.013 18531
7312 1 29 . 1 1 2 2 GLN H H 2 8.410 8.410 8.120 0.290 18531
7313 1 29 . 1 1 3 3 TYR N N 3 124.000 124.000 121.209 2.791 18531
7314 1 29 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.175 0.185 18531
7315 1 29 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.017 0.083 18531
7316 1 29 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.197 2.402 18531
7317 1 29 . 1 1 3 3 TYR H H 3 9.070 9.070 8.259 0.811 18531
7318 1 29 . 1 1 4 4 LYS N N 4 122.500 122.500 119.470 3.030 18531
7319 1 29 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.124 0.096 18531
7320 1 29 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.156 0.844 18531
7321 1 29 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.230 -0.230 18531
7322 1 29 . 1 1 4 4 LYS H H 4 9.100 9.100 8.563 0.537 18531
7323 1 29 . 1 1 5 5 LEU N N 5 126.400 126.400 125.049 1.351 18531
7324 1 29 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.857 0.113 18531
7325 1 29 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.230 -1.431 18531
7326 1 29 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.111 -2.511 18531
7327 1 29 . 1 1 5 5 LEU H H 5 8.620 8.620 8.014 0.606 18531
7328 1 29 . 1 1 6 6 VAL N N 6 127.000 127.000 127.174 -0.174 18531
7329 1 29 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.257 -0.097 18531
7330 1 29 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.924 0.376 18531
7331 1 29 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.949 0.751 18531
7332 1 29 . 1 1 6 6 VAL H H 6 9.190 9.190 9.164 0.026 18531
7333 1 29 . 1 1 7 7 ILE N N 7 125.400 125.400 129.617 -4.217 18531
7334 1 29 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.278 -0.188 18531
7335 1 29 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.890 -0.190 18531
7336 1 29 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.870 1.130 18531
7337 1 29 . 1 1 7 7 ILE H H 7 8.800 8.800 8.168 0.632 18531
7338 1 29 . 1 1 8 8 ASN N N 8 128.900 128.900 126.222 2.678 18531
7339 1 29 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.923 0.357 18531
7340 1 29 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.491 -1.691 18531
7341 1 29 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.892 -0.792 18531
7342 1 29 . 1 1 8 8 ASN H H 8 8.990 8.990 8.284 0.706 18531
7343 1 29 . 1 1 9 9 GLY N N 9 110.200 110.200 107.652 2.548 18531
7344 1 29 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.535 0.165 18531
7345 1 29 . 1 1 9 9 GLY H H 9 7.920 7.920 7.819 0.101 18531
7346 1 29 . 1 1 10 10 LYS N N 10 120.700 120.700 119.019 1.681 18531
7347 1 29 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.269 -0.209 18531
7348 1 29 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.426 0.774 18531
7349 1 29 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.014 -0.114 18531
7350 1 29 . 1 1 10 10 LYS H H 10 9.520 9.520 8.547 0.973 18531
7351 1 29 . 1 1 11 11 THR N N 11 108.900 108.900 109.972 -1.072 18531
7352 1 29 . 1 1 11 11 THR HA H 11 4.360 4.360 4.411 -0.051 18531
7353 1 29 . 1 1 11 11 THR CA C 11 62.000 62.000 62.243 -0.243 18531
7354 1 29 . 1 1 11 11 THR CB C 11 69.800 69.800 69.899 -0.099 18531
7355 1 29 . 1 1 11 11 THR H H 11 8.790 8.790 7.676 1.114 18531
7356 1 29 . 1 1 12 12 LEU N N 12 125.700 125.700 124.249 1.451 18531
7357 1 29 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.416 0.024 18531
7358 1 29 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.350 -0.350 18531
7359 1 29 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.053 0.247 18531
7360 1 29 . 1 1 12 12 LEU H H 12 7.580 7.580 8.291 -0.711 18531
7361 1 29 . 1 1 13 13 LYS N N 13 123.500 123.500 124.982 -1.482 18531
7362 1 29 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.071 0.049 18531
7363 1 29 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.705 -1.805 18531
7364 1 29 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.653 1.147 18531
7365 1 29 . 1 1 13 13 LYS H H 13 8.140 8.140 8.482 -0.342 18531
7366 1 29 . 1 1 14 14 GLY N N 14 109.100 109.100 111.037 -1.937 18531
7367 1 29 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.986 0.214 18531
7368 1 29 . 1 1 14 14 GLY H H 14 8.340 8.340 8.028 0.312 18531
7369 1 29 . 1 1 15 15 GLU N N 15 118.200 118.200 118.470 -0.270 18531
7370 1 29 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.524 0.076 18531
7371 1 29 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.204 -0.704 18531
7372 1 29 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.484 0.316 18531
7373 1 29 . 1 1 15 15 GLU H H 15 8.390 8.390 8.411 -0.021 18531
7374 1 29 . 1 1 16 16 THR N N 16 115.600 115.600 114.825 0.775 18531
7375 1 29 . 1 1 16 16 THR HA H 16 4.730 4.730 4.767 -0.037 18531
7376 1 29 . 1 1 16 16 THR CA C 16 60.600 60.600 60.530 0.070 18531
7377 1 29 . 1 1 16 16 THR CB C 16 69.500 69.500 69.505 -0.005 18531
7378 1 29 . 1 1 16 16 THR H H 16 8.820 8.820 8.250 0.570 18531
7379 1 29 . 1 1 17 17 THR N N 17 111.800 111.800 113.944 -2.144 18531
7380 1 29 . 1 1 17 17 THR HA H 17 5.790 5.790 5.585 0.205 18531
7381 1 29 . 1 1 17 17 THR CA C 17 59.800 59.800 60.535 -0.735 18531
7382 1 29 . 1 1 17 17 THR CB C 17 73.100 73.100 72.091 1.008 18531
7383 1 29 . 1 1 17 17 THR H H 17 8.140 8.140 8.245 -0.105 18531
7384 1 29 . 1 1 18 18 THR N N 18 115.100 115.100 113.626 1.474 18531
7385 1 29 . 1 1 18 18 THR HA H 18 4.640 4.640 4.570 0.070 18531
7386 1 29 . 1 1 18 18 THR CA C 18 61.900 61.900 61.221 0.679 18531
7387 1 29 . 1 1 18 18 THR CB C 18 70.000 70.000 69.123 0.877 18531
7388 1 29 . 1 1 18 18 THR H H 18 8.930 8.930 8.416 0.514 18531
7389 1 29 . 1 1 19 19 LYS N N 19 124.300 124.300 121.134 3.166 18531
7390 1 29 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.130 0.200 18531
7391 1 29 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.760 -0.760 18531
7392 1 29 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.770 0.030 18531
7393 1 29 . 1 1 19 19 LYS H H 19 7.950 7.950 8.262 -0.312 18531
7394 1 29 . 1 1 20 20 ALA N N 20 124.600 124.600 126.365 -1.765 18531
7395 1 29 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.699 0.081 18531
7396 1 29 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.779 0.121 18531
7397 1 29 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.675 2.125 18531
7398 1 29 . 1 1 20 20 ALA H H 20 9.110 9.110 8.736 0.374 18531
7399 1 29 . 1 1 21 21 VAL N N 21 115.300 115.300 119.581 -4.281 18531
7400 1 29 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.857 0.253 18531
7401 1 29 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.955 -0.655 18531
7402 1 29 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.825 0.375 18531
7403 1 29 . 1 1 21 21 VAL H H 21 8.480 8.480 8.688 -0.208 18531
7404 1 29 . 1 1 22 22 ASP N N 22 115.200 115.200 114.233 0.967 18531
7405 1 29 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.850 -0.140 18531
7406 1 29 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.545 -0.145 18531
7407 1 29 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.577 0.624 18531
7408 1 29 . 1 1 22 22 ASP H H 22 7.310 7.310 7.517 -0.207 18531
7409 1 29 . 1 1 23 23 ALA N N 23 121.000 121.000 122.903 -1.903 18531
7410 1 29 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.511 -0.171 18531
7411 1 29 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.309 -0.409 18531
7412 1 29 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.473 -0.973 18531
7413 1 29 . 1 1 23 23 ALA H H 23 8.370 8.370 8.788 -0.418 18531
7414 1 29 . 1 1 24 24 GLU N N 24 118.900 118.900 118.467 0.433 18531
7415 1 29 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.952 -0.092 18531
7416 1 29 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.275 0.425 18531
7417 1 29 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.942 0.158 18531
7418 1 29 . 1 1 24 24 GLU H H 24 8.410 8.410 8.752 -0.342 18531
7419 1 29 . 1 1 25 25 THR N N 25 117.400 117.400 115.971 1.429 18531
7420 1 29 . 1 1 25 25 THR HA H 25 3.670 3.670 4.078 -0.408 18531
7421 1 29 . 1 1 25 25 THR CA C 25 66.800 66.800 65.715 1.085 18531
7422 1 29 . 1 1 25 25 THR CB C 25 68.000 68.000 68.782 -0.782 18531
7423 1 29 . 1 1 25 25 THR H H 25 8.380 8.380 7.592 0.788 18531
7424 1 29 . 1 1 26 26 ALA N N 26 125.100 125.100 124.554 0.546 18531
7425 1 29 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.549 -0.359 18531
7426 1 29 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.633 0.367 18531
7427 1 29 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.340 -0.040 18531
7428 1 29 . 1 1 26 26 ALA H H 26 7.220 7.220 7.929 -0.709 18531
7429 1 29 . 1 1 27 27 GLU N N 27 117.400 117.400 117.968 -0.568 18531
7430 1 29 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.801 -1.211 18531
7431 1 29 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.833 -0.133 18531
7432 1 29 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.286 -0.086 18531
7433 1 29 . 1 1 27 27 GLU H H 27 8.370 8.370 8.318 0.052 18531
7434 1 29 . 1 1 28 28 LYS N N 28 116.300 116.300 118.676 -2.376 18531
7435 1 29 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.904 -0.234 18531
7436 1 29 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.218 0.382 18531
7437 1 29 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.015 0.185 18531
7438 1 29 . 1 1 28 28 LYS H H 28 7.170 7.170 7.619 -0.449 18531
7439 1 29 . 1 1 29 29 ALA N N 29 122.000 122.000 121.743 0.257 18531
7440 1 29 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.040 0.050 18531
7441 1 29 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.667 0.033 18531
7442 1 29 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.895 -0.395 18531
7443 1 29 . 1 1 29 29 ALA H H 29 7.200 7.200 7.232 -0.032 18531
7444 1 29 . 1 1 30 30 PHE N N 30 119.600 119.600 117.597 2.003 18531
7445 1 29 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.221 0.559 18531
7446 1 29 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.556 -3.956 18531
7447 1 29 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.402 -1.002 18531
7448 1 29 . 1 1 30 30 PHE H H 30 8.610 8.610 7.932 0.678 18531
7449 1 29 . 1 1 31 31 LYS N N 31 122.800 122.800 118.332 4.468 18531
7450 1 29 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.315 -0.225 18531
7451 1 29 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.577 0.123 18531
7452 1 29 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.012 -0.412 18531
7453 1 29 . 1 1 31 31 LYS H H 31 9.030 9.030 8.635 0.395 18531
7454 1 29 . 1 1 32 32 GLN N N 32 119.600 119.600 119.775 -0.175 18531
7455 1 29 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.038 -0.008 18531
7456 1 29 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.335 -0.635 18531
7457 1 29 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.352 -0.252 18531
7458 1 29 . 1 1 32 32 GLN H H 32 7.510 7.510 7.749 -0.239 18531
7459 1 29 . 1 1 33 33 TYR N N 33 120.400 120.400 118.980 1.420 18531
7460 1 29 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.267 -0.017 18531
7461 1 29 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.211 1.589 18531
7462 1 29 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.275 0.425 18531
7463 1 29 . 1 1 33 33 TYR H H 33 8.080 8.080 7.917 0.163 18531
7464 1 29 . 1 1 34 34 ALA N N 34 122.300 122.300 123.160 -0.860 18531
7465 1 29 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.003 -0.223 18531
7466 1 29 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.197 0.903 18531
7467 1 29 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.775 -1.075 18531
7468 1 29 . 1 1 34 34 ALA H H 34 9.210 9.210 8.130 1.080 18531
7469 1 29 . 1 1 35 35 ASN N N 35 117.700 117.700 117.322 0.378 18531
7470 1 29 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.481 -0.021 18531
7471 1 29 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.741 1.259 18531
7472 1 29 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.119 0.881 18531
7473 1 29 . 1 1 35 35 ASN H H 35 8.390 8.390 8.017 0.373 18531
7474 1 29 . 1 1 36 36 ASP N N 36 121.100 121.100 121.154 -0.054 18531
7475 1 29 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.478 -0.118 18531
7476 1 29 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.657 0.043 18531
7477 1 29 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.868 -0.868 18531
7478 1 29 . 1 1 36 36 ASP H H 36 8.830 8.830 8.317 0.513 18531
7479 1 29 . 1 1 37 37 ASN N N 37 115.200 115.200 113.736 1.464 18531
7480 1 29 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.769 -0.159 18531
7481 1 29 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.595 1.105 18531
7482 1 29 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.013 0.987 18531
7483 1 29 . 1 1 37 37 ASN H H 37 7.390 7.390 7.353 0.037 18531
7484 1 29 . 1 1 38 38 GLY N N 38 108.200 108.200 107.782 0.418 18531
7485 1 29 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.964 0.436 18531
7486 1 29 . 1 1 38 38 GLY H H 38 7.800 7.800 8.068 -0.268 18531
7487 1 29 . 1 1 39 39 VAL N N 39 120.800 120.800 121.086 -0.286 18531
7488 1 29 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.076 0.064 18531
7489 1 29 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.707 -1.007 18531
7490 1 29 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.083 1.218 18531
7491 1 29 . 1 1 39 39 VAL H H 39 8.120 8.120 8.045 0.075 18531
7492 1 29 . 1 1 40 40 ASP N N 40 128.000 128.000 126.971 1.029 18531
7493 1 29 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.001 -0.111 18531
7494 1 29 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.696 0.104 18531
7495 1 29 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.987 -1.887 18531
7496 1 29 . 1 1 40 40 ASP H H 40 8.770 8.770 8.229 0.541 18531
7497 1 29 . 1 1 41 41 GLY N N 41 107.100 107.100 109.073 -1.973 18531
7498 1 29 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.340 0.060 18531
7499 1 29 . 1 1 41 41 GLY H H 41 7.910 7.910 8.489 -0.579 18531
7500 1 29 . 1 1 42 42 VAL N N 42 120.300 120.300 118.724 1.576 18531
7501 1 29 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.631 -0.251 18531
7502 1 29 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.909 0.191 18531
7503 1 29 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.916 0.484 18531
7504 1 29 . 1 1 42 42 VAL H H 42 8.250 8.250 8.003 0.247 18531
7505 1 29 . 1 1 43 43 TRP N N 43 130.700 130.700 126.898 3.802 18531
7506 1 29 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.717 -0.357 18531
7507 1 29 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.879 1.721 18531
7508 1 29 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.938 -1.738 18531
7509 1 29 . 1 1 43 43 TRP H H 43 9.360 9.360 8.600 0.760 18531
7510 1 29 . 1 1 44 44 THR N N 44 114.500 114.500 118.209 -3.709 18531
7511 1 29 . 1 1 44 44 THR HA H 44 4.830 4.830 4.615 0.215 18531
7512 1 29 . 1 1 44 44 THR CA C 44 60.300 60.300 61.532 -1.232 18531
7513 1 29 . 1 1 44 44 THR CB C 44 72.100 72.100 69.939 2.161 18531
7514 1 29 . 1 1 44 44 THR H H 44 9.400 9.400 8.604 0.796 18531
7515 1 29 . 1 1 45 45 TYR N N 45 120.100 120.100 128.487 -8.387 18531
7516 1 29 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.722 0.248 18531
7517 1 29 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.081 1.919 18531
7518 1 29 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.807 1.793 18531
7519 1 29 . 1 1 45 45 TYR H H 45 8.580 8.580 8.622 -0.042 18531
7520 1 29 . 1 1 46 46 ASP N N 46 128.300 128.300 129.531 -1.231 18531
7521 1 29 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.504 0.076 18531
7522 1 29 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.858 0.042 18531
7523 1 29 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.661 1.439 18531
7524 1 29 . 1 1 46 46 ASP H H 46 7.580 7.580 8.145 -0.565 18531
7525 1 29 . 1 1 47 47 ASP N N 47 124.800 124.800 125.605 -0.805 18531
7526 1 29 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.376 -0.266 18531
7527 1 29 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.969 -0.469 18531
7528 1 29 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.315 1.785 18531
7529 1 29 . 1 1 47 47 ASP H H 47 8.590 8.590 8.029 0.561 18531
7530 1 29 . 1 1 48 48 ALA N N 48 119.700 119.700 122.677 -2.977 18531
7531 1 29 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.106 -0.016 18531
7532 1 29 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.549 0.451 18531
7533 1 29 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.948 -0.648 18531
7534 1 29 . 1 1 48 48 ALA H H 48 8.340 8.340 8.358 -0.018 18531
7535 1 29 . 1 1 49 49 THR N N 49 103.200 103.200 107.165 -3.965 18531
7536 1 29 . 1 1 49 49 THR HA H 49 4.390 4.390 4.504 -0.114 18531
7537 1 29 . 1 1 49 49 THR CA C 49 60.200 60.200 60.718 -0.518 18531
7538 1 29 . 1 1 49 49 THR CB C 49 70.000 70.000 69.221 0.779 18531
7539 1 29 . 1 1 49 49 THR H H 49 7.000 7.000 7.753 -0.753 18531
7540 1 29 . 1 1 50 50 LYS N N 50 123.100 123.100 119.622 3.478 18531
7541 1 29 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.282 -0.092 18531
7542 1 29 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.683 -1.083 18531
7543 1 29 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.876 -1.276 18531
7544 1 29 . 1 1 50 50 LYS H H 50 7.860 7.860 7.701 0.159 18531
7545 1 29 . 1 1 51 51 THR N N 51 111.200 111.200 115.304 -4.104 18531
7546 1 29 . 1 1 51 51 THR HA H 51 5.490 5.490 4.882 0.608 18531
7547 1 29 . 1 1 51 51 THR CA C 51 62.300 62.300 61.863 0.437 18531
7548 1 29 . 1 1 51 51 THR CB C 51 72.100 72.100 71.010 1.090 18531
7549 1 29 . 1 1 51 51 THR H H 51 7.390 7.390 7.647 -0.257 18531
7550 1 29 . 1 1 52 52 PHE N N 52 131.000 131.000 126.432 4.568 18531
7551 1 29 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.555 0.075 18531
7552 1 29 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.972 1.328 18531
7553 1 29 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.042 -0.442 18531
7554 1 29 . 1 1 52 52 PHE H H 52 10.390 10.390 8.975 1.415 18531
7555 1 29 . 1 1 53 53 THR N N 53 117.400 117.400 118.547 -1.147 18531
7556 1 29 . 1 1 53 53 THR HA H 53 5.270 5.270 4.985 0.285 18531
7557 1 29 . 1 1 53 53 THR CA C 53 61.200 61.200 61.190 0.010 18531
7558 1 29 . 1 1 53 53 THR CB C 53 71.000 71.000 71.087 -0.087 18531
7559 1 29 . 1 1 53 53 THR H H 53 9.180 9.180 8.398 0.782 18531
7560 1 29 . 1 1 54 54 VAL N N 54 123.000 123.000 125.737 -2.737 18531
7561 1 29 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.864 0.596 18531
7562 1 29 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.690 -2.590 18531
7563 1 29 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.462 -1.163 18531
7564 1 29 . 1 1 54 54 VAL H H 54 8.280 8.280 8.532 -0.252 18531
7565 1 29 . 1 1 55 55 THR N N 55 123.900 123.900 120.267 3.633 18531
7566 1 29 . 1 1 55 55 THR HA H 55 4.700 4.700 4.795 -0.095 18531
7567 1 29 . 1 1 55 55 THR CA C 55 61.200 61.200 59.726 1.474 18531
7568 1 29 . 1 1 55 55 THR CB C 55 70.700 70.700 70.402 0.298 18531
7569 1 29 . 1 1 55 55 THR H H 55 8.320 8.320 7.868 0.452 18531
7570 1 30 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.509 0.541 18531
7571 1 30 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.606 0.994 18531
7572 1 30 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.151 0.549 18531
7573 1 30 . 1 1 2 2 GLN H H 2 8.410 8.410 8.075 0.335 18531
7574 1 30 . 1 1 3 3 TYR N N 3 124.000 124.000 123.343 0.657 18531
7575 1 30 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.011 0.349 18531
7576 1 30 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.684 0.415 18531
7577 1 30 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.818 1.782 18531
7578 1 30 . 1 1 3 3 TYR H H 3 9.070 9.070 8.996 0.074 18531
7579 1 30 . 1 1 4 4 LYS N N 4 122.500 122.500 121.724 0.776 18531
7580 1 30 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.058 0.162 18531
7581 1 30 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.922 0.078 18531
7582 1 30 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.621 -0.621 18531
7583 1 30 . 1 1 4 4 LYS H H 4 9.100 9.100 8.124 0.976 18531
7584 1 30 . 1 1 5 5 LEU N N 5 126.400 126.400 125.082 1.318 18531
7585 1 30 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.789 0.181 18531
7586 1 30 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.141 -0.341 18531
7587 1 30 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.553 -3.953 18531
7588 1 30 . 1 1 5 5 LEU H H 5 8.620 8.620 9.027 -0.407 18531
7589 1 30 . 1 1 6 6 VAL N N 6 127.000 127.000 124.302 2.698 18531
7590 1 30 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.306 -0.146 18531
7591 1 30 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.614 0.686 18531
7592 1 30 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.069 -0.369 18531
7593 1 30 . 1 1 6 6 VAL H H 6 9.190 9.190 8.049 1.141 18531
7594 1 30 . 1 1 7 7 ILE N N 7 125.400 125.400 128.732 -3.332 18531
7595 1 30 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.076 0.014 18531
7596 1 30 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.258 -0.558 18531
7597 1 30 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.254 0.746 18531
7598 1 30 . 1 1 7 7 ILE H H 7 8.800 8.800 8.670 0.130 18531
7599 1 30 . 1 1 8 8 ASN N N 8 128.900 128.900 127.150 1.750 18531
7600 1 30 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.949 0.331 18531
7601 1 30 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.394 -1.594 18531
7602 1 30 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.894 -0.794 18531
7603 1 30 . 1 1 8 8 ASN H H 8 8.990 8.990 7.990 1.000 18531
7604 1 30 . 1 1 9 9 GLY N N 9 110.200 110.200 107.427 2.773 18531
7605 1 30 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.279 0.421 18531
7606 1 30 . 1 1 9 9 GLY H H 9 7.920 7.920 8.294 -0.374 18531
7607 1 30 . 1 1 10 10 LYS N N 10 120.700 120.700 122.421 -1.721 18531
7608 1 30 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.014 0.046 18531
7609 1 30 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.695 0.505 18531
7610 1 30 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.455 0.445 18531
7611 1 30 . 1 1 10 10 LYS H H 10 9.520 9.520 8.817 0.703 18531
7612 1 30 . 1 1 11 11 THR N N 11 108.900 108.900 108.655 0.245 18531
7613 1 30 . 1 1 11 11 THR HA H 11 4.360 4.360 4.267 0.093 18531
7614 1 30 . 1 1 11 11 THR CA C 11 62.000 62.000 62.007 -0.007 18531
7615 1 30 . 1 1 11 11 THR CB C 11 69.800 69.800 69.337 0.463 18531
7616 1 30 . 1 1 11 11 THR H H 11 8.790 8.790 7.753 1.037 18531
7617 1 30 . 1 1 12 12 LEU N N 12 125.700 125.700 123.753 1.947 18531
7618 1 30 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.606 -0.166 18531
7619 1 30 . 1 1 12 12 LEU CA C 12 55.000 55.000 53.998 1.002 18531
7620 1 30 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.566 -0.266 18531
7621 1 30 . 1 1 12 12 LEU H H 12 7.580 7.580 7.745 -0.165 18531
7622 1 30 . 1 1 13 13 LYS N N 13 123.500 123.500 125.682 -2.182 18531
7623 1 30 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.950 0.170 18531
7624 1 30 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.284 -1.384 18531
7625 1 30 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.280 -0.480 18531
7626 1 30 . 1 1 13 13 LYS H H 13 8.140 8.140 8.527 -0.387 18531
7627 1 30 . 1 1 14 14 GLY N N 14 109.100 109.100 111.873 -2.773 18531
7628 1 30 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.977 -0.777 18531
7629 1 30 . 1 1 14 14 GLY H H 14 8.340 8.340 8.755 -0.415 18531
7630 1 30 . 1 1 15 15 GLU N N 15 118.200 118.200 119.128 -0.928 18531
7631 1 30 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.920 0.680 18531
7632 1 30 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.617 -1.117 18531
7633 1 30 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.558 0.242 18531
7634 1 30 . 1 1 15 15 GLU H H 15 8.390 8.390 8.599 -0.209 18531
7635 1 30 . 1 1 16 16 THR N N 16 115.600 115.600 114.649 0.951 18531
7636 1 30 . 1 1 16 16 THR HA H 16 4.730 4.730 4.761 -0.031 18531
7637 1 30 . 1 1 16 16 THR CA C 16 60.600 60.600 61.917 -1.317 18531
7638 1 30 . 1 1 16 16 THR CB C 16 69.500 69.500 70.396 -0.896 18531
7639 1 30 . 1 1 16 16 THR H H 16 8.820 8.820 8.674 0.146 18531
7640 1 30 . 1 1 17 17 THR N N 17 111.800 111.800 115.668 -3.868 18531
7641 1 30 . 1 1 17 17 THR HA H 17 5.790 5.790 5.333 0.457 18531
7642 1 30 . 1 1 17 17 THR CA C 17 59.800 59.800 61.088 -1.288 18531
7643 1 30 . 1 1 17 17 THR CB C 17 73.100 73.100 71.813 1.287 18531
7644 1 30 . 1 1 17 17 THR H H 17 8.140 8.140 8.351 -0.211 18531
7645 1 30 . 1 1 18 18 THR N N 18 115.100 115.100 114.890 0.210 18531
7646 1 30 . 1 1 18 18 THR HA H 18 4.640 4.640 4.622 0.018 18531
7647 1 30 . 1 1 18 18 THR CA C 18 61.900 61.900 61.142 0.758 18531
7648 1 30 . 1 1 18 18 THR CB C 18 70.000 70.000 69.601 0.399 18531
7649 1 30 . 1 1 18 18 THR H H 18 8.930 8.930 8.949 -0.019 18531
7650 1 30 . 1 1 19 19 LYS N N 19 124.300 124.300 126.345 -2.045 18531
7651 1 30 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.048 0.282 18531
7652 1 30 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.342 -0.342 18531
7653 1 30 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.942 -0.142 18531
7654 1 30 . 1 1 19 19 LYS H H 19 7.950 7.950 8.307 -0.357 18531
7655 1 30 . 1 1 20 20 ALA N N 20 124.600 124.600 126.821 -2.221 18531
7656 1 30 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.602 0.178 18531
7657 1 30 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.417 -0.517 18531
7658 1 30 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.669 2.131 18531
7659 1 30 . 1 1 20 20 ALA H H 20 9.110 9.110 8.034 1.076 18531
7660 1 30 . 1 1 21 21 VAL N N 21 115.300 115.300 119.050 -3.750 18531
7661 1 30 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.839 0.271 18531
7662 1 30 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.029 -0.729 18531
7663 1 30 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.798 0.402 18531
7664 1 30 . 1 1 21 21 VAL H H 21 8.480 8.480 8.640 -0.160 18531
7665 1 30 . 1 1 22 22 ASP N N 22 115.200 115.200 113.220 1.980 18531
7666 1 30 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.896 -0.186 18531
7667 1 30 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.507 -0.107 18531
7668 1 30 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.038 0.162 18531
7669 1 30 . 1 1 22 22 ASP H H 22 7.310 7.310 7.650 -0.340 18531
7670 1 30 . 1 1 23 23 ALA N N 23 121.000 121.000 121.618 -0.618 18531
7671 1 30 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.618 -0.278 18531
7672 1 30 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.000 -0.100 18531
7673 1 30 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.490 -0.990 18531
7674 1 30 . 1 1 23 23 ALA H H 23 8.370 8.370 8.799 -0.429 18531
7675 1 30 . 1 1 24 24 GLU N N 24 118.900 118.900 118.616 0.284 18531
7676 1 30 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.852 0.008 18531
7677 1 30 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.196 0.505 18531
7678 1 30 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.886 0.214 18531
7679 1 30 . 1 1 24 24 GLU H H 24 8.410 8.410 8.578 -0.168 18531
7680 1 30 . 1 1 25 25 THR N N 25 117.400 117.400 115.150 2.250 18531
7681 1 30 . 1 1 25 25 THR HA H 25 3.670 3.670 4.059 -0.389 18531
7682 1 30 . 1 1 25 25 THR CA C 25 66.800 66.800 65.829 0.972 18531
7683 1 30 . 1 1 25 25 THR CB C 25 68.000 68.000 68.741 -0.741 18531
7684 1 30 . 1 1 25 25 THR H H 25 8.380 8.380 7.812 0.568 18531
7685 1 30 . 1 1 26 26 ALA N N 26 125.100 125.100 123.874 1.226 18531
7686 1 30 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.955 -0.765 18531
7687 1 30 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.886 0.113 18531
7688 1 30 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.948 -0.648 18531
7689 1 30 . 1 1 26 26 ALA H H 26 7.220 7.220 7.404 -0.184 18531
7690 1 30 . 1 1 27 27 GLU N N 27 117.400 117.400 117.444 -0.044 18531
7691 1 30 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.887 -1.297 18531
7692 1 30 . 1 1 27 27 GLU CA C 27 59.700 59.700 58.977 0.723 18531
7693 1 30 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.239 -0.039 18531
7694 1 30 . 1 1 27 27 GLU H H 27 8.370 8.370 8.214 0.156 18531
7695 1 30 . 1 1 28 28 LYS N N 28 116.300 116.300 119.203 -2.903 18531
7696 1 30 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.106 -0.436 18531
7697 1 30 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.542 1.058 18531
7698 1 30 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.373 -0.173 18531
7699 1 30 . 1 1 28 28 LYS H H 28 7.170 7.170 7.472 -0.302 18531
7700 1 30 . 1 1 29 29 ALA N N 29 122.000 122.000 123.295 -1.295 18531
7701 1 30 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.184 -0.094 18531
7702 1 30 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.857 -0.157 18531
7703 1 30 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.228 -0.728 18531
7704 1 30 . 1 1 29 29 ALA H H 29 7.200 7.200 7.311 -0.111 18531
7705 1 30 . 1 1 30 30 PHE N N 30 119.600 119.600 117.511 2.089 18531
7706 1 30 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.217 0.563 18531
7707 1 30 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.064 -4.464 18531
7708 1 30 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.602 -1.202 18531
7709 1 30 . 1 1 30 30 PHE H H 30 8.610 8.610 8.629 -0.019 18531
7710 1 30 . 1 1 31 31 LYS N N 31 122.800 122.800 118.032 4.768 18531
7711 1 30 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.648 0.442 18531
7712 1 30 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.442 0.258 18531
7713 1 30 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.525 0.075 18531
7714 1 30 . 1 1 31 31 LYS H H 31 9.030 9.030 7.495 1.535 18531
7715 1 30 . 1 1 32 32 GLN N N 32 119.600 119.600 117.564 2.036 18531
7716 1 30 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.061 -0.031 18531
7717 1 30 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.728 -1.028 18531
7718 1 30 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.199 -0.099 18531
7719 1 30 . 1 1 32 32 GLN H H 32 7.510 7.510 7.799 -0.289 18531
7720 1 30 . 1 1 33 33 TYR N N 33 120.400 120.400 119.882 0.518 18531
7721 1 30 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.429 -0.179 18531
7722 1 30 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.931 0.869 18531
7723 1 30 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.076 0.624 18531
7724 1 30 . 1 1 33 33 TYR H H 33 8.080 8.080 7.946 0.134 18531
7725 1 30 . 1 1 34 34 ALA N N 34 122.300 122.300 122.459 -0.159 18531
7726 1 30 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.046 -0.266 18531
7727 1 30 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.368 0.732 18531
7728 1 30 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.353 -0.653 18531
7729 1 30 . 1 1 34 34 ALA H H 34 9.210 9.210 7.744 1.466 18531
7730 1 30 . 1 1 35 35 ASN N N 35 117.700 117.700 117.024 0.676 18531
7731 1 30 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.499 -0.039 18531
7732 1 30 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.846 1.154 18531
7733 1 30 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.066 0.934 18531
7734 1 30 . 1 1 35 35 ASN H H 35 8.390 8.390 8.193 0.197 18531
7735 1 30 . 1 1 36 36 ASP N N 36 121.100 121.100 120.599 0.501 18531
7736 1 30 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.393 -0.033 18531
7737 1 30 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.698 0.002 18531
7738 1 30 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.070 -0.070 18531
7739 1 30 . 1 1 36 36 ASP H H 36 8.830 8.830 8.056 0.774 18531
7740 1 30 . 1 1 37 37 ASN N N 37 115.200 115.200 114.644 0.556 18531
7741 1 30 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.699 -0.089 18531
7742 1 30 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.559 0.141 18531
7743 1 30 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.345 0.655 18531
7744 1 30 . 1 1 37 37 ASN H H 37 7.390 7.390 7.964 -0.574 18531
7745 1 30 . 1 1 38 38 GLY N N 38 108.200 108.200 107.269 0.931 18531
7746 1 30 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.540 0.860 18531
7747 1 30 . 1 1 38 38 GLY H H 38 7.800 7.800 7.934 -0.134 18531
7748 1 30 . 1 1 39 39 VAL N N 39 120.800 120.800 121.290 -0.490 18531
7749 1 30 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.511 -0.371 18531
7750 1 30 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.864 -0.163 18531
7751 1 30 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.131 1.169 18531
7752 1 30 . 1 1 39 39 VAL H H 39 8.120 8.120 7.975 0.145 18531
7753 1 30 . 1 1 40 40 ASP N N 40 128.000 128.000 127.561 0.439 18531
7754 1 30 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.149 -0.259 18531
7755 1 30 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.819 -0.019 18531
7756 1 30 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.711 -1.611 18531
7757 1 30 . 1 1 40 40 ASP H H 40 8.770 8.770 8.117 0.653 18531
7758 1 30 . 1 1 41 41 GLY N N 41 107.100 107.100 108.108 -1.008 18531
7759 1 30 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.088 0.312 18531
7760 1 30 . 1 1 41 41 GLY H H 41 7.910 7.910 8.339 -0.429 18531
7761 1 30 . 1 1 42 42 VAL N N 42 120.300 120.300 120.667 -0.367 18531
7762 1 30 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.675 -0.295 18531
7763 1 30 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.329 0.771 18531
7764 1 30 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.712 0.688 18531
7765 1 30 . 1 1 42 42 VAL H H 42 8.250 8.250 8.137 0.113 18531
7766 1 30 . 1 1 43 43 TRP N N 43 130.700 130.700 126.470 4.230 18531
7767 1 30 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.676 -0.316 18531
7768 1 30 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.916 1.684 18531
7769 1 30 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.418 -2.218 18531
7770 1 30 . 1 1 43 43 TRP H H 43 9.360 9.360 8.524 0.836 18531
7771 1 30 . 1 1 44 44 THR N N 44 114.500 114.500 114.296 0.204 18531
7772 1 30 . 1 1 44 44 THR HA H 44 4.830 4.830 4.737 0.093 18531
7773 1 30 . 1 1 44 44 THR CA C 44 60.300 60.300 61.003 -0.703 18531
7774 1 30 . 1 1 44 44 THR CB C 44 72.100 72.100 71.640 0.460 18531
7775 1 30 . 1 1 44 44 THR H H 44 9.400 9.400 8.632 0.768 18531
7776 1 30 . 1 1 45 45 TYR N N 45 120.100 120.100 124.963 -4.863 18531
7777 1 30 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.007 -0.037 18531
7778 1 30 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.342 0.658 18531
7779 1 30 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.402 1.198 18531
7780 1 30 . 1 1 45 45 TYR H H 45 8.580 8.580 8.688 -0.108 18531
7781 1 30 . 1 1 46 46 ASP N N 46 128.300 128.300 129.679 -1.379 18531
7782 1 30 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.671 -0.091 18531
7783 1 30 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.630 -0.730 18531
7784 1 30 . 1 1 46 46 ASP CB C 46 43.100 43.100 42.023 1.077 18531
7785 1 30 . 1 1 46 46 ASP H H 46 7.580 7.580 8.556 -0.976 18531
7786 1 30 . 1 1 47 47 ASP N N 47 124.800 124.800 126.615 -1.815 18531
7787 1 30 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.561 -0.451 18531
7788 1 30 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.940 -0.440 18531
7789 1 30 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.935 1.165 18531
7790 1 30 . 1 1 47 47 ASP H H 47 8.590 8.590 8.447 0.142 18531
7791 1 30 . 1 1 48 48 ALA N N 48 119.700 119.700 122.253 -2.553 18531
7792 1 30 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.121 -0.031 18531
7793 1 30 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.517 0.483 18531
7794 1 30 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.048 -0.748 18531
7795 1 30 . 1 1 48 48 ALA H H 48 8.340 8.340 7.729 0.611 18531
7796 1 30 . 1 1 49 49 THR N N 49 103.200 103.200 107.459 -4.259 18531
7797 1 30 . 1 1 49 49 THR HA H 49 4.390 4.390 4.526 -0.136 18531
7798 1 30 . 1 1 49 49 THR CA C 49 60.200 60.200 60.463 -0.263 18531
7799 1 30 . 1 1 49 49 THR CB C 49 70.000 70.000 69.440 0.560 18531
7800 1 30 . 1 1 49 49 THR H H 49 7.000 7.000 7.654 -0.654 18531
7801 1 30 . 1 1 50 50 LYS N N 50 123.100 123.100 119.211 3.889 18531
7802 1 30 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.172 0.018 18531
7803 1 30 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.824 -1.224 18531
7804 1 30 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.689 -1.089 18531
7805 1 30 . 1 1 50 50 LYS H H 50 7.860 7.860 7.848 0.012 18531
7806 1 30 . 1 1 51 51 THR N N 51 111.200 111.200 113.957 -2.757 18531
7807 1 30 . 1 1 51 51 THR HA H 51 5.490 5.490 4.810 0.680 18531
7808 1 30 . 1 1 51 51 THR CA C 51 62.300 62.300 61.456 0.844 18531
7809 1 30 . 1 1 51 51 THR CB C 51 72.100 72.100 72.245 -0.145 18531
7810 1 30 . 1 1 51 51 THR H H 51 7.390 7.390 7.479 -0.089 18531
7811 1 30 . 1 1 52 52 PHE N N 52 131.000 131.000 123.875 7.125 18531
7812 1 30 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.610 0.020 18531
7813 1 30 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.342 2.958 18531
7814 1 30 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.663 0.938 18531
7815 1 30 . 1 1 52 52 PHE H H 52 10.390 10.390 8.308 2.082 18531
7816 1 30 . 1 1 53 53 THR N N 53 117.400 117.400 115.456 1.944 18531
7817 1 30 . 1 1 53 53 THR HA H 53 5.270 5.270 4.413 0.857 18531
7818 1 30 . 1 1 53 53 THR CA C 53 61.200 61.200 61.913 -0.712 18531
7819 1 30 . 1 1 53 53 THR CB C 53 71.000 71.000 71.033 -0.033 18531
7820 1 30 . 1 1 53 53 THR H H 53 9.180 9.180 8.510 0.670 18531
7821 1 30 . 1 1 54 54 VAL N N 54 123.000 123.000 127.197 -4.197 18531
7822 1 30 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.899 0.561 18531
7823 1 30 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.863 -0.763 18531
7824 1 30 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.565 -1.265 18531
7825 1 30 . 1 1 54 54 VAL H H 54 8.280 8.280 7.658 0.622 18531
7826 1 30 . 1 1 55 55 THR N N 55 123.900 123.900 123.685 0.215 18531
7827 1 30 . 1 1 55 55 THR HA H 55 4.700 4.700 4.603 0.097 18531
7828 1 30 . 1 1 55 55 THR CA C 55 61.200 61.200 60.390 0.810 18531
7829 1 30 . 1 1 55 55 THR CB C 55 70.700 70.700 70.528 0.171 18531
7830 1 30 . 1 1 55 55 THR H H 55 8.320 8.320 7.880 0.440 18531
7831 1 31 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.697 0.353 18531
7832 1 31 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.688 -0.088 18531
7833 1 31 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.443 -0.743 18531
7834 1 31 . 1 1 2 2 GLN H H 2 8.410 8.410 8.241 0.169 18531
7835 1 31 . 1 1 3 3 TYR N N 3 124.000 124.000 124.040 -0.040 18531
7836 1 31 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.912 0.448 18531
7837 1 31 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.215 -0.115 18531
7838 1 31 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.690 2.910 18531
7839 1 31 . 1 1 3 3 TYR H H 3 9.070 9.070 8.333 0.737 18531
7840 1 31 . 1 1 4 4 LYS N N 4 122.500 122.500 119.803 2.697 18531
7841 1 31 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.812 0.408 18531
7842 1 31 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.804 0.195 18531
7843 1 31 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.791 -0.791 18531
7844 1 31 . 1 1 4 4 LYS H H 4 9.100 9.100 8.569 0.531 18531
7845 1 31 . 1 1 5 5 LEU N N 5 126.400 126.400 125.960 0.440 18531
7846 1 31 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.781 0.189 18531
7847 1 31 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.914 -1.114 18531
7848 1 31 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.995 -3.394 18531
7849 1 31 . 1 1 5 5 LEU H H 5 8.620 8.620 8.916 -0.296 18531
7850 1 31 . 1 1 6 6 VAL N N 6 127.000 127.000 127.079 -0.079 18531
7851 1 31 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.327 -0.167 18531
7852 1 31 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.620 0.680 18531
7853 1 31 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.981 -1.281 18531
7854 1 31 . 1 1 6 6 VAL H H 6 9.190 9.190 7.937 1.253 18531
7855 1 31 . 1 1 7 7 ILE N N 7 125.400 125.400 128.269 -2.869 18531
7856 1 31 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.212 -0.122 18531
7857 1 31 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.737 -0.037 18531
7858 1 31 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.827 0.173 18531
7859 1 31 . 1 1 7 7 ILE H H 7 8.800 8.800 8.543 0.257 18531
7860 1 31 . 1 1 8 8 ASN N N 8 128.900 128.900 127.655 1.245 18531
7861 1 31 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.009 0.271 18531
7862 1 31 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.263 -1.463 18531
7863 1 31 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.647 -0.547 18531
7864 1 31 . 1 1 8 8 ASN H H 8 8.990 8.990 8.033 0.957 18531
7865 1 31 . 1 1 9 9 GLY N N 9 110.200 110.200 107.807 2.393 18531
7866 1 31 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.348 0.352 18531
7867 1 31 . 1 1 9 9 GLY H H 9 7.920 7.920 8.195 -0.275 18531
7868 1 31 . 1 1 10 10 LYS N N 10 120.700 120.700 123.121 -2.421 18531
7869 1 31 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.048 0.012 18531
7870 1 31 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.186 0.014 18531
7871 1 31 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.465 0.435 18531
7872 1 31 . 1 1 10 10 LYS H H 10 9.520 9.520 8.767 0.753 18531
7873 1 31 . 1 1 11 11 THR N N 11 108.900 108.900 107.619 1.281 18531
7874 1 31 . 1 1 11 11 THR HA H 11 4.360 4.360 4.394 -0.034 18531
7875 1 31 . 1 1 11 11 THR CA C 11 62.000 62.000 62.031 -0.031 18531
7876 1 31 . 1 1 11 11 THR CB C 11 69.800 69.800 69.850 -0.050 18531
7877 1 31 . 1 1 11 11 THR H H 11 8.790 8.790 7.993 0.797 18531
7878 1 31 . 1 1 12 12 LEU N N 12 125.700 125.700 123.684 2.016 18531
7879 1 31 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.577 -0.137 18531
7880 1 31 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.359 0.641 18531
7881 1 31 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.215 0.085 18531
7882 1 31 . 1 1 12 12 LEU H H 12 7.580 7.580 7.878 -0.298 18531
7883 1 31 . 1 1 13 13 LYS N N 13 123.500 123.500 125.821 -2.321 18531
7884 1 31 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.114 0.006 18531
7885 1 31 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.261 -1.361 18531
7886 1 31 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.376 -0.576 18531
7887 1 31 . 1 1 13 13 LYS H H 13 8.140 8.140 8.515 -0.375 18531
7888 1 31 . 1 1 14 14 GLY N N 14 109.100 109.100 111.331 -2.231 18531
7889 1 31 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.655 -0.455 18531
7890 1 31 . 1 1 14 14 GLY H H 14 8.340 8.340 8.878 -0.538 18531
7891 1 31 . 1 1 15 15 GLU N N 15 118.200 118.200 118.901 -0.701 18531
7892 1 31 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.052 0.548 18531
7893 1 31 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.651 -1.151 18531
7894 1 31 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.335 0.465 18531
7895 1 31 . 1 1 15 15 GLU H H 15 8.390 8.390 8.533 -0.143 18531
7896 1 31 . 1 1 16 16 THR N N 16 115.600 115.600 113.687 1.913 18531
7897 1 31 . 1 1 16 16 THR HA H 16 4.730 4.730 4.626 0.104 18531
7898 1 31 . 1 1 16 16 THR CA C 16 60.600 60.600 61.712 -1.112 18531
7899 1 31 . 1 1 16 16 THR CB C 16 69.500 69.500 70.261 -0.761 18531
7900 1 31 . 1 1 16 16 THR H H 16 8.820 8.820 8.949 -0.129 18531
7901 1 31 . 1 1 17 17 THR N N 17 111.800 111.800 113.528 -1.728 18531
7902 1 31 . 1 1 17 17 THR HA H 17 5.790 5.790 4.870 0.920 18531
7903 1 31 . 1 1 17 17 THR CA C 17 59.800 59.800 60.361 -0.561 18531
7904 1 31 . 1 1 17 17 THR CB C 17 73.100 73.100 72.002 1.098 18531
7905 1 31 . 1 1 17 17 THR H H 17 8.140 8.140 8.007 0.133 18531
7906 1 31 . 1 1 18 18 THR N N 18 115.100 115.100 113.972 1.128 18531
7907 1 31 . 1 1 18 18 THR HA H 18 4.640 4.640 4.497 0.143 18531
7908 1 31 . 1 1 18 18 THR CA C 18 61.900 61.900 61.385 0.515 18531
7909 1 31 . 1 1 18 18 THR CB C 18 70.000 70.000 69.561 0.438 18531
7910 1 31 . 1 1 18 18 THR H H 18 8.930 8.930 8.210 0.720 18531
7911 1 31 . 1 1 19 19 LYS N N 19 124.300 124.300 120.395 3.905 18531
7912 1 31 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.702 0.628 18531
7913 1 31 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.627 -0.626 18531
7914 1 31 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.313 -0.513 18531
7915 1 31 . 1 1 19 19 LYS H H 19 7.950 7.950 8.241 -0.291 18531
7916 1 31 . 1 1 20 20 ALA N N 20 124.600 124.600 125.766 -1.166 18531
7917 1 31 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.518 0.263 18531
7918 1 31 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.301 -0.401 18531
7919 1 31 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.241 2.559 18531
7920 1 31 . 1 1 20 20 ALA H H 20 9.110 9.110 8.024 1.086 18531
7921 1 31 . 1 1 21 21 VAL N N 21 115.300 115.300 115.827 -0.527 18531
7922 1 31 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.885 0.225 18531
7923 1 31 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.391 -1.091 18531
7924 1 31 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.415 0.785 18531
7925 1 31 . 1 1 21 21 VAL H H 21 8.480 8.480 8.264 0.216 18531
7926 1 31 . 1 1 22 22 ASP N N 22 115.200 115.200 115.143 0.057 18531
7927 1 31 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.755 -0.045 18531
7928 1 31 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.700 -0.300 18531
7929 1 31 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.907 0.292 18531
7930 1 31 . 1 1 22 22 ASP H H 22 7.310 7.310 7.736 -0.426 18531
7931 1 31 . 1 1 23 23 ALA N N 23 121.000 121.000 121.127 -0.127 18531
7932 1 31 . 1 1 23 23 ALA HA H 23 3.340 3.340 4.154 -0.814 18531
7933 1 31 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.776 0.124 18531
7934 1 31 . 1 1 23 23 ALA CB C 23 17.500 17.500 19.065 -1.565 18531
7935 1 31 . 1 1 23 23 ALA H H 23 8.370 8.370 8.675 -0.305 18531
7936 1 31 . 1 1 24 24 GLU N N 24 118.900 118.900 118.691 0.209 18531
7937 1 31 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.934 -0.074 18531
7938 1 31 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.312 0.389 18531
7939 1 31 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.340 -0.239 18531
7940 1 31 . 1 1 24 24 GLU H H 24 8.410 8.410 7.997 0.413 18531
7941 1 31 . 1 1 25 25 THR N N 25 117.400 117.400 115.484 1.916 18531
7942 1 31 . 1 1 25 25 THR HA H 25 3.670 3.670 3.942 -0.272 18531
7943 1 31 . 1 1 25 25 THR CA C 25 66.800 66.800 65.941 0.859 18531
7944 1 31 . 1 1 25 25 THR CB C 25 68.000 68.000 68.260 -0.260 18531
7945 1 31 . 1 1 25 25 THR H H 25 8.380 8.380 8.917 -0.537 18531
7946 1 31 . 1 1 26 26 ALA N N 26 125.100 125.100 123.464 1.636 18531
7947 1 31 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.808 -0.618 18531
7948 1 31 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.090 0.910 18531
7949 1 31 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.923 -0.623 18531
7950 1 31 . 1 1 26 26 ALA H H 26 7.220 7.220 7.237 -0.017 18531
7951 1 31 . 1 1 27 27 GLU N N 27 117.400 117.400 119.875 -2.475 18531
7952 1 31 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.921 -1.331 18531
7953 1 31 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.965 -0.265 18531
7954 1 31 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.509 -0.309 18531
7955 1 31 . 1 1 27 27 GLU H H 27 8.370 8.370 8.314 0.056 18531
7956 1 31 . 1 1 28 28 LYS N N 28 116.300 116.300 118.465 -2.165 18531
7957 1 31 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.931 -0.261 18531
7958 1 31 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.633 -0.033 18531
7959 1 31 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.069 0.131 18531
7960 1 31 . 1 1 28 28 LYS H H 28 7.170 7.170 7.598 -0.428 18531
7961 1 31 . 1 1 29 29 ALA N N 29 122.000 122.000 120.760 1.240 18531
7962 1 31 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.123 -0.033 18531
7963 1 31 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.240 0.460 18531
7964 1 31 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.218 -0.718 18531
7965 1 31 . 1 1 29 29 ALA H H 29 7.200 7.200 7.129 0.071 18531
7966 1 31 . 1 1 30 30 PHE N N 30 119.600 119.600 118.762 0.838 18531
7967 1 31 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.265 0.515 18531
7968 1 31 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.720 -3.120 18531
7969 1 31 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.443 -1.043 18531
7970 1 31 . 1 1 30 30 PHE H H 30 8.610 8.610 7.974 0.636 18531
7971 1 31 . 1 1 31 31 LYS N N 31 122.800 122.800 118.735 4.065 18531
7972 1 31 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.567 0.523 18531
7973 1 31 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.586 0.114 18531
7974 1 31 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.648 -0.049 18531
7975 1 31 . 1 1 31 31 LYS H H 31 9.030 9.030 8.464 0.566 18531
7976 1 31 . 1 1 32 32 GLN N N 32 119.600 119.600 119.026 0.574 18531
7977 1 31 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.970 0.060 18531
7978 1 31 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.425 -0.725 18531
7979 1 31 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.317 -0.217 18531
7980 1 31 . 1 1 32 32 GLN H H 32 7.510 7.510 7.663 -0.153 18531
7981 1 31 . 1 1 33 33 TYR N N 33 120.400 120.400 119.806 0.594 18531
7982 1 31 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.135 0.116 18531
7983 1 31 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.668 0.132 18531
7984 1 31 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.330 0.370 18531
7985 1 31 . 1 1 33 33 TYR H H 33 8.080 8.080 7.823 0.257 18531
7986 1 31 . 1 1 34 34 ALA N N 34 122.300 122.300 121.900 0.400 18531
7987 1 31 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.219 -0.439 18531
7988 1 31 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.239 0.861 18531
7989 1 31 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.821 -1.121 18531
7990 1 31 . 1 1 34 34 ALA H H 34 9.210 9.210 7.537 1.673 18531
7991 1 31 . 1 1 35 35 ASN N N 35 117.700 117.700 117.318 0.382 18531
7992 1 31 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.483 -0.023 18531
7993 1 31 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.725 1.274 18531
7994 1 31 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.195 0.805 18531
7995 1 31 . 1 1 35 35 ASN H H 35 8.390 8.390 8.258 0.132 18531
7996 1 31 . 1 1 36 36 ASP N N 36 121.100 121.100 120.844 0.256 18531
7997 1 31 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.449 -0.089 18531
7998 1 31 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.873 -0.173 18531
7999 1 31 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.945 -0.945 18531
8000 1 31 . 1 1 36 36 ASP H H 36 8.830 8.830 8.720 0.110 18531
8001 1 31 . 1 1 37 37 ASN N N 37 115.200 115.200 114.308 0.892 18531
8002 1 31 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.840 -0.230 18531
8003 1 31 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.062 0.638 18531
8004 1 31 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.212 0.788 18531
8005 1 31 . 1 1 37 37 ASN H H 37 7.390 7.390 7.590 -0.200 18531
8006 1 31 . 1 1 38 38 GLY N N 38 108.200 108.200 106.876 1.324 18531
8007 1 31 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.487 0.913 18531
8008 1 31 . 1 1 38 38 GLY H H 38 7.800 7.800 8.018 -0.218 18531
8009 1 31 . 1 1 39 39 VAL N N 39 120.800 120.800 121.940 -1.140 18531
8010 1 31 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.342 -0.202 18531
8011 1 31 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.300 0.400 18531
8012 1 31 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.609 1.691 18531
8013 1 31 . 1 1 39 39 VAL H H 39 8.120 8.120 7.904 0.216 18531
8014 1 31 . 1 1 40 40 ASP N N 40 128.000 128.000 126.664 1.336 18531
8015 1 31 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.059 -0.169 18531
8016 1 31 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.697 0.103 18531
8017 1 31 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.513 -1.413 18531
8018 1 31 . 1 1 40 40 ASP H H 40 8.770 8.770 8.180 0.590 18531
8019 1 31 . 1 1 41 41 GLY N N 41 107.100 107.100 109.219 -2.119 18531
8020 1 31 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.342 0.058 18531
8021 1 31 . 1 1 41 41 GLY H H 41 7.910 7.910 8.435 -0.525 18531
8022 1 31 . 1 1 42 42 VAL N N 42 120.300 120.300 123.928 -3.628 18531
8023 1 31 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.329 0.051 18531
8024 1 31 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.798 0.302 18531
8025 1 31 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.555 0.845 18531
8026 1 31 . 1 1 42 42 VAL H H 42 8.250 8.250 7.873 0.377 18531
8027 1 31 . 1 1 43 43 TRP N N 43 130.700 130.700 127.065 3.635 18531
8028 1 31 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.388 -0.028 18531
8029 1 31 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.843 1.757 18531
8030 1 31 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.703 -1.503 18531
8031 1 31 . 1 1 43 43 TRP H H 43 9.360 9.360 8.553 0.807 18531
8032 1 31 . 1 1 44 44 THR N N 44 114.500 114.500 116.605 -2.105 18531
8033 1 31 . 1 1 44 44 THR HA H 44 4.830 4.830 4.742 0.088 18531
8034 1 31 . 1 1 44 44 THR CA C 44 60.300 60.300 60.045 0.255 18531
8035 1 31 . 1 1 44 44 THR CB C 44 72.100 72.100 71.332 0.768 18531
8036 1 31 . 1 1 44 44 THR H H 44 9.400 9.400 8.418 0.982 18531
8037 1 31 . 1 1 45 45 TYR N N 45 120.100 120.100 118.425 1.675 18531
8038 1 31 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.026 -0.056 18531
8039 1 31 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.072 0.928 18531
8040 1 31 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.175 0.425 18531
8041 1 31 . 1 1 45 45 TYR H H 45 8.580 8.580 8.161 0.419 18531
8042 1 31 . 1 1 46 46 ASP N N 46 128.300 128.300 124.843 3.457 18531
8043 1 31 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.427 0.153 18531
8044 1 31 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.573 0.327 18531
8045 1 31 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.912 1.188 18531
8046 1 31 . 1 1 46 46 ASP H H 46 7.580 7.580 8.417 -0.837 18531
8047 1 31 . 1 1 47 47 ASP N N 47 124.800 124.800 125.561 -0.761 18531
8048 1 31 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.410 -0.300 18531
8049 1 31 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.846 -0.346 18531
8050 1 31 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.562 1.538 18531
8051 1 31 . 1 1 47 47 ASP H H 47 8.590 8.590 8.254 0.336 18531
8052 1 31 . 1 1 48 48 ALA N N 48 119.700 119.700 123.259 -3.559 18531
8053 1 31 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.101 -0.011 18531
8054 1 31 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.560 0.440 18531
8055 1 31 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.877 -0.577 18531
8056 1 31 . 1 1 48 48 ALA H H 48 8.340 8.340 7.912 0.428 18531
8057 1 31 . 1 1 49 49 THR N N 49 103.200 103.200 107.070 -3.870 18531
8058 1 31 . 1 1 49 49 THR HA H 49 4.390 4.390 4.506 -0.116 18531
8059 1 31 . 1 1 49 49 THR CA C 49 60.200 60.200 60.648 -0.448 18531
8060 1 31 . 1 1 49 49 THR CB C 49 70.000 70.000 69.204 0.797 18531
8061 1 31 . 1 1 49 49 THR H H 49 7.000 7.000 8.006 -1.006 18531
8062 1 31 . 1 1 50 50 LYS N N 50 123.100 123.100 118.963 4.137 18531
8063 1 31 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.990 0.200 18531
8064 1 31 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.304 -0.704 18531
8065 1 31 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.528 -0.928 18531
8066 1 31 . 1 1 50 50 LYS H H 50 7.860 7.860 7.555 0.305 18531
8067 1 31 . 1 1 51 51 THR N N 51 111.200 111.200 115.447 -4.247 18531
8068 1 31 . 1 1 51 51 THR HA H 51 5.490 5.490 4.824 0.666 18531
8069 1 31 . 1 1 51 51 THR CA C 51 62.300 62.300 62.261 0.039 18531
8070 1 31 . 1 1 51 51 THR CB C 51 72.100 72.100 69.975 2.124 18531
8071 1 31 . 1 1 51 51 THR H H 51 7.390 7.390 7.577 -0.187 18531
8072 1 31 . 1 1 52 52 PHE N N 52 131.000 131.000 128.716 2.284 18531
8073 1 31 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.299 0.331 18531
8074 1 31 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.469 0.831 18531
8075 1 31 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.051 0.549 18531
8076 1 31 . 1 1 52 52 PHE H H 52 10.390 10.390 8.663 1.727 18531
8077 1 31 . 1 1 53 53 THR N N 53 117.400 117.400 117.975 -0.575 18531
8078 1 31 . 1 1 53 53 THR HA H 53 5.270 5.270 4.538 0.732 18531
8079 1 31 . 1 1 53 53 THR CA C 53 61.200 61.200 61.373 -0.173 18531
8080 1 31 . 1 1 53 53 THR CB C 53 71.000 71.000 71.439 -0.439 18531
8081 1 31 . 1 1 53 53 THR H H 53 9.180 9.180 9.020 0.160 18531
8082 1 31 . 1 1 54 54 VAL N N 54 123.000 123.000 126.528 -3.528 18531
8083 1 31 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.159 0.301 18531
8084 1 31 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.143 -1.043 18531
8085 1 31 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.011 0.289 18531
8086 1 31 . 1 1 54 54 VAL H H 54 8.280 8.280 7.805 0.475 18531
8087 1 31 . 1 1 55 55 THR N N 55 123.900 123.900 124.074 -0.174 18531
8088 1 31 . 1 1 55 55 THR HA H 55 4.700 4.700 4.533 0.167 18531
8089 1 31 . 1 1 55 55 THR CA C 55 61.200 61.200 61.490 -0.290 18531
8090 1 31 . 1 1 55 55 THR CB C 55 70.700 70.700 70.525 0.174 18531
8091 1 31 . 1 1 55 55 THR H H 55 8.320 8.320 8.351 -0.031 18531
8092 1 32 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.537 0.513 18531
8093 1 32 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.737 -0.137 18531
8094 1 32 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.105 -1.405 18531
8095 1 32 . 1 1 2 2 GLN H H 2 8.410 8.410 7.897 0.513 18531
8096 1 32 . 1 1 3 3 TYR N N 3 124.000 124.000 122.595 1.405 18531
8097 1 32 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.302 0.058 18531
8098 1 32 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.669 0.431 18531
8099 1 32 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.812 1.788 18531
8100 1 32 . 1 1 3 3 TYR H H 3 9.070 9.070 8.323 0.747 18531
8101 1 32 . 1 1 4 4 LYS N N 4 122.500 122.500 122.345 0.155 18531
8102 1 32 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.915 0.305 18531
8103 1 32 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.831 0.169 18531
8104 1 32 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.663 0.337 18531
8105 1 32 . 1 1 4 4 LYS H H 4 9.100 9.100 8.879 0.221 18531
8106 1 32 . 1 1 5 5 LEU N N 5 126.400 126.400 126.301 0.099 18531
8107 1 32 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.987 -0.017 18531
8108 1 32 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.626 -0.826 18531
8109 1 32 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.492 -3.892 18531
8110 1 32 . 1 1 5 5 LEU H H 5 8.620 8.620 8.265 0.355 18531
8111 1 32 . 1 1 6 6 VAL N N 6 127.000 127.000 124.639 2.361 18531
8112 1 32 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.279 -0.119 18531
8113 1 32 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.598 0.702 18531
8114 1 32 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.946 -1.246 18531
8115 1 32 . 1 1 6 6 VAL H H 6 9.190 9.190 8.135 1.055 18531
8116 1 32 . 1 1 7 7 ILE N N 7 125.400 125.400 128.918 -3.518 18531
8117 1 32 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.130 -0.040 18531
8118 1 32 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.166 -0.466 18531
8119 1 32 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.164 0.836 18531
8120 1 32 . 1 1 7 7 ILE H H 7 8.800 8.800 8.653 0.147 18531
8121 1 32 . 1 1 8 8 ASN N N 8 128.900 128.900 127.894 1.006 18531
8122 1 32 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.981 0.299 18531
8123 1 32 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.267 -1.467 18531
8124 1 32 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.392 -0.292 18531
8125 1 32 . 1 1 8 8 ASN H H 8 8.990 8.990 7.921 1.069 18531
8126 1 32 . 1 1 9 9 GLY N N 9 110.200 110.200 107.833 2.367 18531
8127 1 32 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.302 0.398 18531
8128 1 32 . 1 1 9 9 GLY H H 9 7.920 7.920 8.064 -0.144 18531
8129 1 32 . 1 1 10 10 LYS N N 10 120.700 120.700 120.198 0.502 18531
8130 1 32 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.013 0.047 18531
8131 1 32 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.717 0.483 18531
8132 1 32 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.214 0.686 18531
8133 1 32 . 1 1 10 10 LYS H H 10 9.520 9.520 8.567 0.953 18531
8134 1 32 . 1 1 11 11 THR N N 11 108.900 108.900 108.558 0.342 18531
8135 1 32 . 1 1 11 11 THR HA H 11 4.360 4.360 4.301 0.059 18531
8136 1 32 . 1 1 11 11 THR CA C 11 62.000 62.000 62.063 -0.063 18531
8137 1 32 . 1 1 11 11 THR CB C 11 69.800 69.800 69.370 0.430 18531
8138 1 32 . 1 1 11 11 THR H H 11 8.790 8.790 7.509 1.281 18531
8139 1 32 . 1 1 12 12 LEU N N 12 125.700 125.700 123.922 1.778 18531
8140 1 32 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.653 -0.213 18531
8141 1 32 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.093 0.908 18531
8142 1 32 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.433 -0.133 18531
8143 1 32 . 1 1 12 12 LEU H H 12 7.580 7.580 7.745 -0.165 18531
8144 1 32 . 1 1 13 13 LYS N N 13 123.500 123.500 125.848 -2.348 18531
8145 1 32 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.056 0.064 18531
8146 1 32 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.340 -1.440 18531
8147 1 32 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.295 -0.495 18531
8148 1 32 . 1 1 13 13 LYS H H 13 8.140 8.140 8.501 -0.361 18531
8149 1 32 . 1 1 14 14 GLY N N 14 109.100 109.100 111.496 -2.396 18531
8150 1 32 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.390 -0.190 18531
8151 1 32 . 1 1 14 14 GLY H H 14 8.340 8.340 8.899 -0.559 18531
8152 1 32 . 1 1 15 15 GLU N N 15 118.200 118.200 118.862 -0.662 18531
8153 1 32 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.616 0.984 18531
8154 1 32 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.269 -1.769 18531
8155 1 32 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.720 0.080 18531
8156 1 32 . 1 1 15 15 GLU H H 15 8.390 8.390 8.595 -0.205 18531
8157 1 32 . 1 1 16 16 THR N N 16 115.600 115.600 117.034 -1.434 18531
8158 1 32 . 1 1 16 16 THR HA H 16 4.730 4.730 4.721 0.009 18531
8159 1 32 . 1 1 16 16 THR CA C 16 60.600 60.600 60.699 -0.099 18531
8160 1 32 . 1 1 16 16 THR CB C 16 69.500 69.500 70.053 -0.553 18531
8161 1 32 . 1 1 16 16 THR H H 16 8.820 8.820 8.200 0.620 18531
8162 1 32 . 1 1 17 17 THR N N 17 111.800 111.800 114.491 -2.691 18531
8163 1 32 . 1 1 17 17 THR HA H 17 5.790 5.790 5.106 0.684 18531
8164 1 32 . 1 1 17 17 THR CA C 17 59.800 59.800 60.338 -0.538 18531
8165 1 32 . 1 1 17 17 THR CB C 17 73.100 73.100 71.844 1.256 18531
8166 1 32 . 1 1 17 17 THR H H 17 8.140 8.140 8.176 -0.036 18531
8167 1 32 . 1 1 18 18 THR N N 18 115.100 115.100 115.501 -0.401 18531
8168 1 32 . 1 1 18 18 THR HA H 18 4.640 4.640 4.547 0.093 18531
8169 1 32 . 1 1 18 18 THR CA C 18 61.900 61.900 61.380 0.520 18531
8170 1 32 . 1 1 18 18 THR CB C 18 70.000 70.000 70.112 -0.112 18531
8171 1 32 . 1 1 18 18 THR H H 18 8.930 8.930 8.376 0.554 18531
8172 1 32 . 1 1 19 19 LYS N N 19 124.300 124.300 125.596 -1.296 18531
8173 1 32 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.767 0.563 18531
8174 1 32 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.556 -0.556 18531
8175 1 32 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.630 0.170 18531
8176 1 32 . 1 1 19 19 LYS H H 19 7.950 7.950 8.418 -0.468 18531
8177 1 32 . 1 1 20 20 ALA N N 20 124.600 124.600 126.105 -1.505 18531
8178 1 32 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.731 0.049 18531
8179 1 32 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.573 -0.673 18531
8180 1 32 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.696 2.104 18531
8181 1 32 . 1 1 20 20 ALA H H 20 9.110 9.110 8.204 0.906 18531
8182 1 32 . 1 1 21 21 VAL N N 21 115.300 115.300 117.573 -2.273 18531
8183 1 32 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.796 0.314 18531
8184 1 32 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.546 -1.246 18531
8185 1 32 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.541 0.659 18531
8186 1 32 . 1 1 21 21 VAL H H 21 8.480 8.480 8.712 -0.232 18531
8187 1 32 . 1 1 22 22 ASP N N 22 115.200 115.200 113.797 1.403 18531
8188 1 32 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.878 -0.168 18531
8189 1 32 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.168 0.232 18531
8190 1 32 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.460 -0.260 18531
8191 1 32 . 1 1 22 22 ASP H H 22 7.310 7.310 7.684 -0.374 18531
8192 1 32 . 1 1 23 23 ALA N N 23 121.000 121.000 121.336 -0.336 18531
8193 1 32 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.743 -0.403 18531
8194 1 32 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.381 0.519 18531
8195 1 32 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.761 -1.261 18531
8196 1 32 . 1 1 23 23 ALA H H 23 8.370 8.370 8.760 -0.390 18531
8197 1 32 . 1 1 24 24 GLU N N 24 118.900 118.900 119.659 -0.759 18531
8198 1 32 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.882 -0.022 18531
8199 1 32 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.413 0.287 18531
8200 1 32 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.959 0.141 18531
8201 1 32 . 1 1 24 24 GLU H H 24 8.410 8.410 8.240 0.170 18531
8202 1 32 . 1 1 25 25 THR N N 25 117.400 117.400 114.068 3.332 18531
8203 1 32 . 1 1 25 25 THR HA H 25 3.670 3.670 4.030 -0.360 18531
8204 1 32 . 1 1 25 25 THR CA C 25 66.800 66.800 64.703 2.097 18531
8205 1 32 . 1 1 25 25 THR CB C 25 68.000 68.000 68.646 -0.646 18531
8206 1 32 . 1 1 25 25 THR H H 25 8.380 8.380 8.849 -0.469 18531
8207 1 32 . 1 1 26 26 ALA N N 26 125.100 125.100 124.170 0.930 18531
8208 1 32 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.871 -0.681 18531
8209 1 32 . 1 1 26 26 ALA CA C 26 55.000 55.000 55.041 -0.041 18531
8210 1 32 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.941 -0.641 18531
8211 1 32 . 1 1 26 26 ALA H H 26 7.220 7.220 7.339 -0.119 18531
8212 1 32 . 1 1 27 27 GLU N N 27 117.400 117.400 118.965 -1.565 18531
8213 1 32 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.628 -1.038 18531
8214 1 32 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.470 0.230 18531
8215 1 32 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.212 -0.012 18531
8216 1 32 . 1 1 27 27 GLU H H 27 8.370 8.370 8.000 0.370 18531
8217 1 32 . 1 1 28 28 LYS N N 28 116.300 116.300 118.428 -2.128 18531
8218 1 32 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.923 -0.253 18531
8219 1 32 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.291 0.309 18531
8220 1 32 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.007 0.193 18531
8221 1 32 . 1 1 28 28 LYS H H 28 7.170 7.170 7.554 -0.384 18531
8222 1 32 . 1 1 29 29 ALA N N 29 122.000 122.000 122.010 -0.010 18531
8223 1 32 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.220 -0.130 18531
8224 1 32 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.460 0.240 18531
8225 1 32 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.263 -0.763 18531
8226 1 32 . 1 1 29 29 ALA H H 29 7.200 7.200 7.198 0.002 18531
8227 1 32 . 1 1 30 30 PHE N N 30 119.600 119.600 118.769 0.831 18531
8228 1 32 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.154 0.626 18531
8229 1 32 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.568 -3.968 18531
8230 1 32 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.470 -1.070 18531
8231 1 32 . 1 1 30 30 PHE H H 30 8.610 8.610 8.399 0.211 18531
8232 1 32 . 1 1 31 31 LYS N N 31 122.800 122.800 117.410 5.390 18531
8233 1 32 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.542 0.548 18531
8234 1 32 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.972 0.728 18531
8235 1 32 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.498 0.102 18531
8236 1 32 . 1 1 31 31 LYS H H 31 9.030 9.030 8.387 0.643 18531
8237 1 32 . 1 1 32 32 GLN N N 32 119.600 119.600 119.104 0.496 18531
8238 1 32 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.986 0.044 18531
8239 1 32 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.450 -0.750 18531
8240 1 32 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.176 -0.076 18531
8241 1 32 . 1 1 32 32 GLN H H 32 7.510 7.510 7.847 -0.337 18531
8242 1 32 . 1 1 33 33 TYR N N 33 120.400 120.400 119.023 1.377 18531
8243 1 32 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.235 0.015 18531
8244 1 32 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.173 0.627 18531
8245 1 32 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.188 0.512 18531
8246 1 32 . 1 1 33 33 TYR H H 33 8.080 8.080 7.941 0.139 18531
8247 1 32 . 1 1 34 34 ALA N N 34 122.300 122.300 122.458 -0.158 18531
8248 1 32 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.160 -0.380 18531
8249 1 32 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.095 1.005 18531
8250 1 32 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.778 -1.078 18531
8251 1 32 . 1 1 34 34 ALA H H 34 9.210 9.210 7.962 1.248 18531
8252 1 32 . 1 1 35 35 ASN N N 35 117.700 117.700 117.412 0.288 18531
8253 1 32 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.475 -0.015 18531
8254 1 32 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.756 1.244 18531
8255 1 32 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.056 0.944 18531
8256 1 32 . 1 1 35 35 ASN H H 35 8.390 8.390 8.224 0.166 18531
8257 1 32 . 1 1 36 36 ASP N N 36 121.100 121.100 120.819 0.281 18531
8258 1 32 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.403 -0.043 18531
8259 1 32 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.756 -0.056 18531
8260 1 32 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.326 -0.326 18531
8261 1 32 . 1 1 36 36 ASP H H 36 8.830 8.830 8.769 0.061 18531
8262 1 32 . 1 1 37 37 ASN N N 37 115.200 115.200 114.880 0.320 18531
8263 1 32 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.665 -0.055 18531
8264 1 32 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.395 0.305 18531
8265 1 32 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.581 0.419 18531
8266 1 32 . 1 1 37 37 ASN H H 37 7.390 7.390 7.558 -0.168 18531
8267 1 32 . 1 1 38 38 GLY N N 38 108.200 108.200 107.858 0.342 18531
8268 1 32 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.658 0.742 18531
8269 1 32 . 1 1 38 38 GLY H H 38 7.800 7.800 7.901 -0.101 18531
8270 1 32 . 1 1 39 39 VAL N N 39 120.800 120.800 121.268 -0.468 18531
8271 1 32 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.324 -0.184 18531
8272 1 32 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.489 -0.789 18531
8273 1 32 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.435 0.865 18531
8274 1 32 . 1 1 39 39 VAL H H 39 8.120 8.120 7.953 0.167 18531
8275 1 32 . 1 1 40 40 ASP N N 40 128.000 128.000 126.305 1.695 18531
8276 1 32 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.127 -0.237 18531
8277 1 32 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.455 0.345 18531
8278 1 32 . 1 1 40 40 ASP CB C 40 43.100 43.100 45.044 -1.944 18531
8279 1 32 . 1 1 40 40 ASP H H 40 8.770 8.770 8.215 0.555 18531
8280 1 32 . 1 1 41 41 GLY N N 41 107.100 107.100 108.335 -1.235 18531
8281 1 32 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.265 0.135 18531
8282 1 32 . 1 1 41 41 GLY H H 41 7.910 7.910 8.295 -0.385 18531
8283 1 32 . 1 1 42 42 VAL N N 42 120.300 120.300 123.163 -2.863 18531
8284 1 32 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.584 -0.204 18531
8285 1 32 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.617 1.483 18531
8286 1 32 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.724 0.676 18531
8287 1 32 . 1 1 42 42 VAL H H 42 8.250 8.250 8.129 0.121 18531
8288 1 32 . 1 1 43 43 TRP N N 43 130.700 130.700 130.145 0.555 18531
8289 1 32 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.675 -0.315 18531
8290 1 32 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.742 1.858 18531
8291 1 32 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.219 -2.019 18531
8292 1 32 . 1 1 43 43 TRP H H 43 9.360 9.360 8.537 0.823 18531
8293 1 32 . 1 1 44 44 THR N N 44 114.500 114.500 113.071 1.429 18531
8294 1 32 . 1 1 44 44 THR HA H 44 4.830 4.830 4.673 0.157 18531
8295 1 32 . 1 1 44 44 THR CA C 44 60.300 60.300 60.613 -0.313 18531
8296 1 32 . 1 1 44 44 THR CB C 44 72.100 72.100 71.764 0.336 18531
8297 1 32 . 1 1 44 44 THR H H 44 9.400 9.400 8.764 0.636 18531
8298 1 32 . 1 1 45 45 TYR N N 45 120.100 120.100 123.142 -3.042 18531
8299 1 32 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.542 0.428 18531
8300 1 32 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.083 -0.083 18531
8301 1 32 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.579 0.021 18531
8302 1 32 . 1 1 45 45 TYR H H 45 8.580 8.580 8.464 0.116 18531
8303 1 32 . 1 1 46 46 ASP N N 46 128.300 128.300 128.784 -0.484 18531
8304 1 32 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.566 0.014 18531
8305 1 32 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.974 -0.074 18531
8306 1 32 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.986 1.113 18531
8307 1 32 . 1 1 46 46 ASP H H 46 7.580 7.580 7.888 -0.308 18531
8308 1 32 . 1 1 47 47 ASP N N 47 124.800 124.800 126.083 -1.283 18531
8309 1 32 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.320 -0.210 18531
8310 1 32 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.648 -0.148 18531
8311 1 32 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.551 1.549 18531
8312 1 32 . 1 1 47 47 ASP H H 47 8.590 8.590 8.088 0.502 18531
8313 1 32 . 1 1 48 48 ALA N N 48 119.700 119.700 121.533 -1.833 18531
8314 1 32 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.029 0.061 18531
8315 1 32 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.572 0.428 18531
8316 1 32 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.875 -0.576 18531
8317 1 32 . 1 1 48 48 ALA H H 48 8.340 8.340 7.842 0.498 18531
8318 1 32 . 1 1 49 49 THR N N 49 103.200 103.200 106.470 -3.270 18531
8319 1 32 . 1 1 49 49 THR HA H 49 4.390 4.390 4.452 -0.062 18531
8320 1 32 . 1 1 49 49 THR CA C 49 60.200 60.200 60.267 -0.067 18531
8321 1 32 . 1 1 49 49 THR CB C 49 70.000 70.000 68.790 1.210 18531
8322 1 32 . 1 1 49 49 THR H H 49 7.000 7.000 7.736 -0.736 18531
8323 1 32 . 1 1 50 50 LYS N N 50 123.100 123.100 120.108 2.992 18531
8324 1 32 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.919 0.271 18531
8325 1 32 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.677 -1.077 18531
8326 1 32 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.206 -0.605 18531
8327 1 32 . 1 1 50 50 LYS H H 50 7.860 7.860 7.976 -0.116 18531
8328 1 32 . 1 1 51 51 THR N N 51 111.200 111.200 114.249 -3.049 18531
8329 1 32 . 1 1 51 51 THR HA H 51 5.490 5.490 5.288 0.202 18531
8330 1 32 . 1 1 51 51 THR CA C 51 62.300 62.300 61.614 0.686 18531
8331 1 32 . 1 1 51 51 THR CB C 51 72.100 72.100 72.326 -0.226 18531
8332 1 32 . 1 1 51 51 THR H H 51 7.390 7.390 7.320 0.070 18531
8333 1 32 . 1 1 52 52 PHE N N 52 131.000 131.000 124.889 6.111 18531
8334 1 32 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.297 0.333 18531
8335 1 32 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.802 1.498 18531
8336 1 32 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.009 0.591 18531
8337 1 32 . 1 1 52 52 PHE H H 52 10.390 10.390 9.384 1.006 18531
8338 1 32 . 1 1 53 53 THR N N 53 117.400 117.400 116.180 1.220 18531
8339 1 32 . 1 1 53 53 THR HA H 53 5.270 5.270 4.457 0.813 18531
8340 1 32 . 1 1 53 53 THR CA C 53 61.200 61.200 61.967 -0.766 18531
8341 1 32 . 1 1 53 53 THR CB C 53 71.000 71.000 70.548 0.452 18531
8342 1 32 . 1 1 53 53 THR H H 53 9.180 9.180 8.466 0.714 18531
8343 1 32 . 1 1 54 54 VAL N N 54 123.000 123.000 127.231 -4.231 18531
8344 1 32 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.800 0.660 18531
8345 1 32 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.151 -1.051 18531
8346 1 32 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.085 -0.785 18531
8347 1 32 . 1 1 54 54 VAL H H 54 8.280 8.280 7.626 0.654 18531
8348 1 32 . 1 1 55 55 THR N N 55 123.900 123.900 123.005 0.895 18531
8349 1 32 . 1 1 55 55 THR HA H 55 4.700 4.700 4.605 0.095 18531
8350 1 32 . 1 1 55 55 THR CA C 55 61.200 61.200 60.342 0.858 18531
8351 1 32 . 1 1 55 55 THR CB C 55 70.700 70.700 70.855 -0.155 18531
8352 1 32 . 1 1 55 55 THR H H 55 8.320 8.320 7.643 0.677 18531
8353 1 33 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.840 0.210 18531
8354 1 33 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.558 0.042 18531
8355 1 33 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.881 -1.181 18531
8356 1 33 . 1 1 2 2 GLN H H 2 8.410 8.410 7.923 0.487 18531
8357 1 33 . 1 1 3 3 TYR N N 3 124.000 124.000 122.089 1.911 18531
8358 1 33 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.196 0.164 18531
8359 1 33 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.395 0.705 18531
8360 1 33 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.788 1.812 18531
8361 1 33 . 1 1 3 3 TYR H H 3 9.070 9.070 8.316 0.754 18531
8362 1 33 . 1 1 4 4 LYS N N 4 122.500 122.500 120.329 2.171 18531
8363 1 33 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.907 0.313 18531
8364 1 33 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.472 0.528 18531
8365 1 33 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.938 0.062 18531
8366 1 33 . 1 1 4 4 LYS H H 4 9.100 9.100 8.498 0.602 18531
8367 1 33 . 1 1 5 5 LEU N N 5 126.400 126.400 123.984 2.416 18531
8368 1 33 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.605 -0.635 18531
8369 1 33 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.123 -1.323 18531
8370 1 33 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.293 -2.693 18531
8371 1 33 . 1 1 5 5 LEU H H 5 8.620 8.620 8.689 -0.069 18531
8372 1 33 . 1 1 6 6 VAL N N 6 127.000 127.000 127.583 -0.583 18531
8373 1 33 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.362 -0.202 18531
8374 1 33 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.801 0.499 18531
8375 1 33 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.875 -1.175 18531
8376 1 33 . 1 1 6 6 VAL H H 6 9.190 9.190 8.705 0.485 18531
8377 1 33 . 1 1 7 7 ILE N N 7 125.400 125.400 128.388 -2.988 18531
8378 1 33 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.395 -0.305 18531
8379 1 33 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.771 -0.071 18531
8380 1 33 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.877 0.123 18531
8381 1 33 . 1 1 7 7 ILE H H 7 8.800 8.800 7.886 0.914 18531
8382 1 33 . 1 1 8 8 ASN N N 8 128.900 128.900 126.751 2.149 18531
8383 1 33 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.000 0.280 18531
8384 1 33 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.202 -1.402 18531
8385 1 33 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.418 -1.318 18531
8386 1 33 . 1 1 8 8 ASN H H 8 8.990 8.990 8.042 0.948 18531
8387 1 33 . 1 1 9 9 GLY N N 9 110.200 110.200 108.078 2.122 18531
8388 1 33 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.111 0.589 18531
8389 1 33 . 1 1 9 9 GLY H H 9 7.920 7.920 7.605 0.315 18531
8390 1 33 . 1 1 10 10 LYS N N 10 120.700 120.700 118.849 1.851 18531
8391 1 33 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.280 -0.220 18531
8392 1 33 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.212 0.988 18531
8393 1 33 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.824 0.076 18531
8394 1 33 . 1 1 10 10 LYS H H 10 9.520 9.520 8.550 0.970 18531
8395 1 33 . 1 1 11 11 THR N N 11 108.900 108.900 109.934 -1.034 18531
8396 1 33 . 1 1 11 11 THR HA H 11 4.360 4.360 4.351 0.009 18531
8397 1 33 . 1 1 11 11 THR CA C 11 62.000 62.000 61.475 0.525 18531
8398 1 33 . 1 1 11 11 THR CB C 11 69.800 69.800 69.293 0.507 18531
8399 1 33 . 1 1 11 11 THR H H 11 8.790 8.790 7.493 1.297 18531
8400 1 33 . 1 1 12 12 LEU N N 12 125.700 125.700 123.452 2.248 18531
8401 1 33 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.438 0.002 18531
8402 1 33 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.049 -0.049 18531
8403 1 33 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.048 0.252 18531
8404 1 33 . 1 1 12 12 LEU H H 12 7.580 7.580 7.832 -0.252 18531
8405 1 33 . 1 1 13 13 LYS N N 13 123.500 123.500 125.654 -2.154 18531
8406 1 33 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.556 0.564 18531
8407 1 33 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.255 -2.355 18531
8408 1 33 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.397 1.403 18531
8409 1 33 . 1 1 13 13 LYS H H 13 8.140 8.140 8.566 -0.426 18531
8410 1 33 . 1 1 14 14 GLY N N 14 109.100 109.100 108.972 0.128 18531
8411 1 33 . 1 1 14 14 GLY CA C 14 45.200 45.200 43.966 1.234 18531
8412 1 33 . 1 1 14 14 GLY H H 14 8.340 8.340 8.032 0.308 18531
8413 1 33 . 1 1 15 15 GLU N N 15 118.200 118.200 120.509 -2.309 18531
8414 1 33 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.820 0.780 18531
8415 1 33 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.362 -0.862 18531
8416 1 33 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.783 1.017 18531
8417 1 33 . 1 1 15 15 GLU H H 15 8.390 8.390 8.488 -0.098 18531
8418 1 33 . 1 1 16 16 THR N N 16 115.600 115.600 119.681 -4.081 18531
8419 1 33 . 1 1 16 16 THR HA H 16 4.730 4.730 4.509 0.221 18531
8420 1 33 . 1 1 16 16 THR CA C 16 60.600 60.600 61.407 -0.807 18531
8421 1 33 . 1 1 16 16 THR CB C 16 69.500 69.500 68.656 0.844 18531
8422 1 33 . 1 1 16 16 THR H H 16 8.820 8.820 8.383 0.437 18531
8423 1 33 . 1 1 17 17 THR N N 17 111.800 111.800 117.426 -5.626 18531
8424 1 33 . 1 1 17 17 THR HA H 17 5.790 5.790 4.536 1.254 18531
8425 1 33 . 1 1 17 17 THR CA C 17 59.800 59.800 60.879 -1.079 18531
8426 1 33 . 1 1 17 17 THR CB C 17 73.100 73.100 71.314 1.786 18531
8427 1 33 . 1 1 17 17 THR H H 17 8.140 8.140 8.140 -0.000 18531
8428 1 33 . 1 1 18 18 THR N N 18 115.100 115.100 115.706 -0.606 18531
8429 1 33 . 1 1 18 18 THR HA H 18 4.640 4.640 4.579 0.061 18531
8430 1 33 . 1 1 18 18 THR CA C 18 61.900 61.900 61.065 0.835 18531
8431 1 33 . 1 1 18 18 THR CB C 18 70.000 70.000 69.794 0.206 18531
8432 1 33 . 1 1 18 18 THR H H 18 8.930 8.930 8.612 0.318 18531
8433 1 33 . 1 1 19 19 LYS N N 19 124.300 124.300 119.470 4.830 18531
8434 1 33 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.967 0.363 18531
8435 1 33 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.382 -0.382 18531
8436 1 33 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.814 -1.014 18531
8437 1 33 . 1 1 19 19 LYS H H 19 7.950 7.950 8.392 -0.442 18531
8438 1 33 . 1 1 20 20 ALA N N 20 124.600 124.600 124.911 -0.311 18531
8439 1 33 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.715 0.065 18531
8440 1 33 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.589 -0.689 18531
8441 1 33 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.735 2.065 18531
8442 1 33 . 1 1 20 20 ALA H H 20 9.110 9.110 8.337 0.773 18531
8443 1 33 . 1 1 21 21 VAL N N 21 115.300 115.300 119.707 -4.407 18531
8444 1 33 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.847 0.263 18531
8445 1 33 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.555 -1.255 18531
8446 1 33 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.061 0.139 18531
8447 1 33 . 1 1 21 21 VAL H H 21 8.480 8.480 8.597 -0.117 18531
8448 1 33 . 1 1 22 22 ASP N N 22 115.200 115.200 115.936 -0.736 18531
8449 1 33 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.942 -0.232 18531
8450 1 33 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.139 -0.739 18531
8451 1 33 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.622 -0.422 18531
8452 1 33 . 1 1 22 22 ASP H H 22 7.310 7.310 7.613 -0.303 18531
8453 1 33 . 1 1 23 23 ALA N N 23 121.000 121.000 124.827 -3.827 18531
8454 1 33 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.318 0.022 18531
8455 1 33 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.974 -0.074 18531
8456 1 33 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.602 -1.102 18531
8457 1 33 . 1 1 23 23 ALA H H 23 8.370 8.370 8.698 -0.328 18531
8458 1 33 . 1 1 24 24 GLU N N 24 118.900 118.900 117.804 1.096 18531
8459 1 33 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.838 0.022 18531
8460 1 33 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.977 -0.277 18531
8461 1 33 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.879 0.221 18531
8462 1 33 . 1 1 24 24 GLU H H 24 8.410 8.410 8.880 -0.470 18531
8463 1 33 . 1 1 25 25 THR N N 25 117.400 117.400 114.487 2.913 18531
8464 1 33 . 1 1 25 25 THR HA H 25 3.670 3.670 3.954 -0.284 18531
8465 1 33 . 1 1 25 25 THR CA C 25 66.800 66.800 65.508 1.292 18531
8466 1 33 . 1 1 25 25 THR CB C 25 68.000 68.000 68.413 -0.413 18531
8467 1 33 . 1 1 25 25 THR H H 25 8.380 8.380 8.107 0.273 18531
8468 1 33 . 1 1 26 26 ALA N N 26 125.100 125.100 123.314 1.786 18531
8469 1 33 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.873 -0.683 18531
8470 1 33 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.775 0.225 18531
8471 1 33 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.617 -0.317 18531
8472 1 33 . 1 1 26 26 ALA H H 26 7.220 7.220 7.778 -0.558 18531
8473 1 33 . 1 1 27 27 GLU N N 27 117.400 117.400 118.724 -1.324 18531
8474 1 33 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.498 -0.908 18531
8475 1 33 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.283 0.417 18531
8476 1 33 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.160 0.040 18531
8477 1 33 . 1 1 27 27 GLU H H 27 8.370 8.370 7.934 0.436 18531
8478 1 33 . 1 1 28 28 LYS N N 28 116.300 116.300 118.542 -2.242 18531
8479 1 33 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.016 -0.346 18531
8480 1 33 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.807 0.793 18531
8481 1 33 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.474 -0.274 18531
8482 1 33 . 1 1 28 28 LYS H H 28 7.170 7.170 7.330 -0.160 18531
8483 1 33 . 1 1 29 29 ALA N N 29 122.000 122.000 121.886 0.114 18531
8484 1 33 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.070 0.020 18531
8485 1 33 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.721 -0.021 18531
8486 1 33 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.501 -1.001 18531
8487 1 33 . 1 1 29 29 ALA H H 29 7.200 7.200 7.305 -0.105 18531
8488 1 33 . 1 1 30 30 PHE N N 30 119.600 119.600 117.013 2.587 18531
8489 1 33 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.123 0.657 18531
8490 1 33 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.965 -3.365 18531
8491 1 33 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.165 -0.765 18531
8492 1 33 . 1 1 30 30 PHE H H 30 8.610 8.610 8.664 -0.054 18531
8493 1 33 . 1 1 31 31 LYS N N 31 122.800 122.800 117.585 5.215 18531
8494 1 33 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.697 0.393 18531
8495 1 33 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.987 0.713 18531
8496 1 33 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.761 -0.161 18531
8497 1 33 . 1 1 31 31 LYS H H 31 9.030 9.030 7.809 1.221 18531
8498 1 33 . 1 1 32 32 GLN N N 32 119.600 119.600 118.277 1.323 18531
8499 1 33 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.115 -0.085 18531
8500 1 33 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.435 0.265 18531
8501 1 33 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.842 -0.742 18531
8502 1 33 . 1 1 32 32 GLN H H 32 7.510 7.510 7.512 -0.002 18531
8503 1 33 . 1 1 33 33 TYR N N 33 120.400 120.400 121.342 -0.942 18531
8504 1 33 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.245 0.005 18531
8505 1 33 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.996 0.804 18531
8506 1 33 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.621 0.079 18531
8507 1 33 . 1 1 33 33 TYR H H 33 8.080 8.080 7.698 0.382 18531
8508 1 33 . 1 1 34 34 ALA N N 34 122.300 122.300 121.105 1.195 18531
8509 1 33 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.950 -0.170 18531
8510 1 33 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.590 0.510 18531
8511 1 33 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.515 -0.815 18531
8512 1 33 . 1 1 34 34 ALA H H 34 9.210 9.210 7.990 1.220 18531
8513 1 33 . 1 1 35 35 ASN N N 35 117.700 117.700 116.566 1.134 18531
8514 1 33 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.477 -0.017 18531
8515 1 33 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.814 1.186 18531
8516 1 33 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.250 0.750 18531
8517 1 33 . 1 1 35 35 ASN H H 35 8.390 8.390 8.000 0.390 18531
8518 1 33 . 1 1 36 36 ASP N N 36 121.100 121.100 119.851 1.249 18531
8519 1 33 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.556 -0.196 18531
8520 1 33 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.222 0.478 18531
8521 1 33 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.837 -0.837 18531
8522 1 33 . 1 1 36 36 ASP H H 36 8.830 8.830 7.816 1.014 18531
8523 1 33 . 1 1 37 37 ASN N N 37 115.200 115.200 116.218 -1.018 18531
8524 1 33 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.763 -0.153 18531
8525 1 33 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.673 1.027 18531
8526 1 33 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.845 1.155 18531
8527 1 33 . 1 1 37 37 ASN H H 37 7.390 7.390 7.596 -0.206 18531
8528 1 33 . 1 1 38 38 GLY N N 38 108.200 108.200 108.350 -0.150 18531
8529 1 33 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.196 0.204 18531
8530 1 33 . 1 1 38 38 GLY H H 38 7.800 7.800 7.600 0.200 18531
8531 1 33 . 1 1 39 39 VAL N N 39 120.800 120.800 119.953 0.847 18531
8532 1 33 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.459 -0.319 18531
8533 1 33 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.501 0.199 18531
8534 1 33 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.187 0.113 18531
8535 1 33 . 1 1 39 39 VAL H H 39 8.120 8.120 7.984 0.136 18531
8536 1 33 . 1 1 40 40 ASP N N 40 128.000 128.000 126.861 1.139 18531
8537 1 33 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.009 -0.119 18531
8538 1 33 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.080 -0.280 18531
8539 1 33 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.759 -1.659 18531
8540 1 33 . 1 1 40 40 ASP H H 40 8.770 8.770 8.680 0.090 18531
8541 1 33 . 1 1 41 41 GLY N N 41 107.100 107.100 110.154 -3.054 18531
8542 1 33 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.124 0.276 18531
8543 1 33 . 1 1 41 41 GLY H H 41 7.910 7.910 8.499 -0.589 18531
8544 1 33 . 1 1 42 42 VAL N N 42 120.300 120.300 124.179 -3.879 18531
8545 1 33 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.362 0.018 18531
8546 1 33 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.008 0.092 18531
8547 1 33 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.840 0.560 18531
8548 1 33 . 1 1 42 42 VAL H H 42 8.250 8.250 8.339 -0.089 18531
8549 1 33 . 1 1 43 43 TRP N N 43 130.700 130.700 127.939 2.761 18531
8550 1 33 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.353 0.007 18531
8551 1 33 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.002 1.598 18531
8552 1 33 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.718 -1.518 18531
8553 1 33 . 1 1 43 43 TRP H H 43 9.360 9.360 8.744 0.616 18531
8554 1 33 . 1 1 44 44 THR N N 44 114.500 114.500 115.709 -1.209 18531
8555 1 33 . 1 1 44 44 THR HA H 44 4.830 4.830 4.741 0.089 18531
8556 1 33 . 1 1 44 44 THR CA C 44 60.300 60.300 60.066 0.234 18531
8557 1 33 . 1 1 44 44 THR CB C 44 72.100 72.100 71.017 1.083 18531
8558 1 33 . 1 1 44 44 THR H H 44 9.400 9.400 8.791 0.609 18531
8559 1 33 . 1 1 45 45 TYR N N 45 120.100 120.100 118.358 1.742 18531
8560 1 33 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.001 -0.031 18531
8561 1 33 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.294 0.706 18531
8562 1 33 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.147 0.453 18531
8563 1 33 . 1 1 45 45 TYR H H 45 8.580 8.580 8.083 0.497 18531
8564 1 33 . 1 1 46 46 ASP N N 46 128.300 128.300 125.463 2.837 18531
8565 1 33 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.463 0.117 18531
8566 1 33 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.653 0.247 18531
8567 1 33 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.524 1.576 18531
8568 1 33 . 1 1 46 46 ASP H H 46 7.580 7.580 8.619 -1.039 18531
8569 1 33 . 1 1 47 47 ASP N N 47 124.800 124.800 125.917 -1.117 18531
8570 1 33 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.551 -0.441 18531
8571 1 33 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.934 -0.434 18531
8572 1 33 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.683 1.417 18531
8573 1 33 . 1 1 47 47 ASP H H 47 8.590 8.590 8.100 0.490 18531
8574 1 33 . 1 1 48 48 ALA N N 48 119.700 119.700 123.761 -4.061 18531
8575 1 33 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.138 -0.049 18531
8576 1 33 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.945 0.055 18531
8577 1 33 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.530 -0.230 18531
8578 1 33 . 1 1 48 48 ALA H H 48 8.340 8.340 8.261 0.079 18531
8579 1 33 . 1 1 49 49 THR N N 49 103.200 103.200 111.199 -7.999 18531
8580 1 33 . 1 1 49 49 THR HA H 49 4.390 4.390 4.423 -0.033 18531
8581 1 33 . 1 1 49 49 THR CA C 49 60.200 60.200 60.253 -0.053 18531
8582 1 33 . 1 1 49 49 THR CB C 49 70.000 70.000 68.305 1.696 18531
8583 1 33 . 1 1 49 49 THR H H 49 7.000 7.000 7.885 -0.885 18531
8584 1 33 . 1 1 50 50 LYS N N 50 123.100 123.100 121.796 1.304 18531
8585 1 33 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.171 0.019 18531
8586 1 33 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.821 -1.221 18531
8587 1 33 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.636 -2.036 18531
8588 1 33 . 1 1 50 50 LYS H H 50 7.860 7.860 7.619 0.241 18531
8589 1 33 . 1 1 51 51 THR N N 51 111.200 111.200 115.658 -4.458 18531
8590 1 33 . 1 1 51 51 THR HA H 51 5.490 5.490 4.873 0.617 18531
8591 1 33 . 1 1 51 51 THR CA C 51 62.300 62.300 61.937 0.363 18531
8592 1 33 . 1 1 51 51 THR CB C 51 72.100 72.100 71.882 0.217 18531
8593 1 33 . 1 1 51 51 THR H H 51 7.390 7.390 7.837 -0.447 18531
8594 1 33 . 1 1 52 52 PHE N N 52 131.000 131.000 126.250 4.750 18531
8595 1 33 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.325 0.305 18531
8596 1 33 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.790 0.510 18531
8597 1 33 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.344 -0.744 18531
8598 1 33 . 1 1 52 52 PHE H H 52 10.390 10.390 9.615 0.775 18531
8599 1 33 . 1 1 53 53 THR N N 53 117.400 117.400 120.496 -3.096 18531
8600 1 33 . 1 1 53 53 THR HA H 53 5.270 5.270 4.673 0.597 18531
8601 1 33 . 1 1 53 53 THR CA C 53 61.200 61.200 61.425 -0.225 18531
8602 1 33 . 1 1 53 53 THR CB C 53 71.000 71.000 70.048 0.952 18531
8603 1 33 . 1 1 53 53 THR H H 53 9.180 9.180 9.106 0.074 18531
8604 1 33 . 1 1 54 54 VAL N N 54 123.000 123.000 127.475 -4.475 18531
8605 1 33 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.345 0.115 18531
8606 1 33 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.798 -0.698 18531
8607 1 33 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.718 -0.418 18531
8608 1 33 . 1 1 54 54 VAL H H 54 8.280 8.280 8.112 0.168 18531
8609 1 33 . 1 1 55 55 THR N N 55 123.900 123.900 124.481 -0.581 18531
8610 1 33 . 1 1 55 55 THR HA H 55 4.700 4.700 4.570 0.130 18531
8611 1 33 . 1 1 55 55 THR CA C 55 61.200 61.200 61.194 0.006 18531
8612 1 33 . 1 1 55 55 THR CB C 55 70.700 70.700 70.410 0.289 18531
8613 1 33 . 1 1 55 55 THR H H 55 8.320 8.320 8.664 -0.344 18531
8614 1 34 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.098 0.952 18531
8615 1 34 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.737 -1.137 18531
8616 1 34 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.169 2.531 18531
8617 1 34 . 1 1 2 2 GLN H H 2 8.410 8.410 8.274 0.136 18531
8618 1 34 . 1 1 3 3 TYR N N 3 124.000 124.000 124.482 -0.482 18531
8619 1 34 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.386 -0.026 18531
8620 1 34 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.801 0.299 18531
8621 1 34 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.208 1.392 18531
8622 1 34 . 1 1 3 3 TYR H H 3 9.070 9.070 8.634 0.436 18531
8623 1 34 . 1 1 4 4 LYS N N 4 122.500 122.500 118.767 3.733 18531
8624 1 34 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.573 -0.353 18531
8625 1 34 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.753 0.247 18531
8626 1 34 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.418 -1.418 18531
8627 1 34 . 1 1 4 4 LYS H H 4 9.100 9.100 8.684 0.416 18531
8628 1 34 . 1 1 5 5 LEU N N 5 126.400 126.400 122.920 3.480 18531
8629 1 34 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.766 0.204 18531
8630 1 34 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.755 -0.955 18531
8631 1 34 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.232 -3.632 18531
8632 1 34 . 1 1 5 5 LEU H H 5 8.620 8.620 8.670 -0.050 18531
8633 1 34 . 1 1 6 6 VAL N N 6 127.000 127.000 126.272 0.728 18531
8634 1 34 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.367 -0.207 18531
8635 1 34 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.867 1.433 18531
8636 1 34 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.717 -0.017 18531
8637 1 34 . 1 1 6 6 VAL H H 6 9.190 9.190 7.947 1.243 18531
8638 1 34 . 1 1 7 7 ILE N N 7 125.400 125.400 128.836 -3.436 18531
8639 1 34 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.530 -0.440 18531
8640 1 34 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.592 0.108 18531
8641 1 34 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.065 -0.065 18531
8642 1 34 . 1 1 7 7 ILE H H 7 8.800 8.800 8.608 0.192 18531
8643 1 34 . 1 1 8 8 ASN N N 8 128.900 128.900 125.670 3.230 18531
8644 1 34 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.983 0.297 18531
8645 1 34 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.401 -1.601 18531
8646 1 34 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.262 -1.162 18531
8647 1 34 . 1 1 8 8 ASN H H 8 8.990 8.990 8.246 0.744 18531
8648 1 34 . 1 1 9 9 GLY N N 9 110.200 110.200 108.180 2.020 18531
8649 1 34 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.347 0.353 18531
8650 1 34 . 1 1 9 9 GLY H H 9 7.920 7.920 8.469 -0.549 18531
8651 1 34 . 1 1 10 10 LYS N N 10 120.700 120.700 120.830 -0.130 18531
8652 1 34 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.140 -0.080 18531
8653 1 34 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.465 0.735 18531
8654 1 34 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.493 0.407 18531
8655 1 34 . 1 1 10 10 LYS H H 10 9.520 9.520 8.841 0.679 18531
8656 1 34 . 1 1 11 11 THR N N 11 108.900 108.900 109.742 -0.842 18531
8657 1 34 . 1 1 11 11 THR HA H 11 4.360 4.360 4.392 -0.032 18531
8658 1 34 . 1 1 11 11 THR CA C 11 62.000 62.000 62.032 -0.032 18531
8659 1 34 . 1 1 11 11 THR CB C 11 69.800 69.800 70.311 -0.511 18531
8660 1 34 . 1 1 11 11 THR H H 11 8.790 8.790 7.794 0.996 18531
8661 1 34 . 1 1 12 12 LEU N N 12 125.700 125.700 123.646 2.054 18531
8662 1 34 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.552 -0.112 18531
8663 1 34 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.703 0.297 18531
8664 1 34 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.785 -0.485 18531
8665 1 34 . 1 1 12 12 LEU H H 12 7.580 7.580 8.222 -0.642 18531
8666 1 34 . 1 1 13 13 LYS N N 13 123.500 123.500 123.758 -0.258 18531
8667 1 34 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.977 0.143 18531
8668 1 34 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.804 -1.904 18531
8669 1 34 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.999 0.801 18531
8670 1 34 . 1 1 13 13 LYS H H 13 8.140 8.140 8.548 -0.408 18531
8671 1 34 . 1 1 14 14 GLY N N 14 109.100 109.100 111.275 -2.175 18531
8672 1 34 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.739 0.461 18531
8673 1 34 . 1 1 14 14 GLY H H 14 8.340 8.340 7.932 0.408 18531
8674 1 34 . 1 1 15 15 GLU N N 15 118.200 118.200 118.156 0.044 18531
8675 1 34 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.578 0.022 18531
8676 1 34 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.807 -0.307 18531
8677 1 34 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.897 -0.097 18531
8678 1 34 . 1 1 15 15 GLU H H 15 8.390 8.390 8.413 -0.023 18531
8679 1 34 . 1 1 16 16 THR N N 16 115.600 115.600 113.619 1.981 18531
8680 1 34 . 1 1 16 16 THR HA H 16 4.730 4.730 4.616 0.114 18531
8681 1 34 . 1 1 16 16 THR CA C 16 60.600 60.600 60.849 -0.249 18531
8682 1 34 . 1 1 16 16 THR CB C 16 69.500 69.500 70.596 -1.096 18531
8683 1 34 . 1 1 16 16 THR H H 16 8.820 8.820 8.333 0.487 18531
8684 1 34 . 1 1 17 17 THR N N 17 111.800 111.800 114.679 -2.879 18531
8685 1 34 . 1 1 17 17 THR HA H 17 5.790 5.790 5.550 0.240 18531
8686 1 34 . 1 1 17 17 THR CA C 17 59.800 59.800 60.031 -0.231 18531
8687 1 34 . 1 1 17 17 THR CB C 17 73.100 73.100 71.958 1.142 18531
8688 1 34 . 1 1 17 17 THR H H 17 8.140 8.140 8.234 -0.094 18531
8689 1 34 . 1 1 18 18 THR N N 18 115.100 115.100 114.983 0.117 18531
8690 1 34 . 1 1 18 18 THR HA H 18 4.640 4.640 4.517 0.123 18531
8691 1 34 . 1 1 18 18 THR CA C 18 61.900 61.900 61.256 0.644 18531
8692 1 34 . 1 1 18 18 THR CB C 18 70.000 70.000 70.000 -0.000 18531
8693 1 34 . 1 1 18 18 THR H H 18 8.930 8.930 8.364 0.566 18531
8694 1 34 . 1 1 19 19 LYS N N 19 124.300 124.300 125.643 -1.343 18531
8695 1 34 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.715 0.615 18531
8696 1 34 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.466 -0.466 18531
8697 1 34 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.972 -0.172 18531
8698 1 34 . 1 1 19 19 LYS H H 19 7.950 7.950 8.357 -0.407 18531
8699 1 34 . 1 1 20 20 ALA N N 20 124.600 124.600 126.129 -1.529 18531
8700 1 34 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.587 0.193 18531
8701 1 34 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.248 -0.348 18531
8702 1 34 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.896 1.904 18531
8703 1 34 . 1 1 20 20 ALA H H 20 9.110 9.110 8.283 0.827 18531
8704 1 34 . 1 1 21 21 VAL N N 21 115.300 115.300 118.895 -3.595 18531
8705 1 34 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.863 0.247 18531
8706 1 34 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.192 -1.892 18531
8707 1 34 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.634 0.566 18531
8708 1 34 . 1 1 21 21 VAL H H 21 8.480 8.480 8.510 -0.030 18531
8709 1 34 . 1 1 22 22 ASP N N 22 115.200 115.200 112.948 2.252 18531
8710 1 34 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.927 -0.217 18531
8711 1 34 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.693 -0.293 18531
8712 1 34 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.023 0.177 18531
8713 1 34 . 1 1 22 22 ASP H H 22 7.310 7.310 7.645 -0.335 18531
8714 1 34 . 1 1 23 23 ALA N N 23 121.000 121.000 122.387 -1.387 18531
8715 1 34 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.686 -0.346 18531
8716 1 34 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.529 -0.629 18531
8717 1 34 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.587 -1.087 18531
8718 1 34 . 1 1 23 23 ALA H H 23 8.370 8.370 8.801 -0.431 18531
8719 1 34 . 1 1 24 24 GLU N N 24 118.900 118.900 119.243 -0.343 18531
8720 1 34 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.919 -0.059 18531
8721 1 34 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.077 0.623 18531
8722 1 34 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.850 0.250 18531
8723 1 34 . 1 1 24 24 GLU H H 24 8.410 8.410 8.666 -0.256 18531
8724 1 34 . 1 1 25 25 THR N N 25 117.400 117.400 115.889 1.511 18531
8725 1 34 . 1 1 25 25 THR HA H 25 3.670 3.670 4.028 -0.358 18531
8726 1 34 . 1 1 25 25 THR CA C 25 66.800 66.800 66.145 0.655 18531
8727 1 34 . 1 1 25 25 THR CB C 25 68.000 68.000 68.639 -0.639 18531
8728 1 34 . 1 1 25 25 THR H H 25 8.380 8.380 8.184 0.196 18531
8729 1 34 . 1 1 26 26 ALA N N 26 125.100 125.100 124.067 1.033 18531
8730 1 34 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.777 -0.587 18531
8731 1 34 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.792 0.208 18531
8732 1 34 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.682 -0.382 18531
8733 1 34 . 1 1 26 26 ALA H H 26 7.220 7.220 7.700 -0.480 18531
8734 1 34 . 1 1 27 27 GLU N N 27 117.400 117.400 117.133 0.267 18531
8735 1 34 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.659 -1.069 18531
8736 1 34 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.226 0.474 18531
8737 1 34 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.391 -0.191 18531
8738 1 34 . 1 1 27 27 GLU H H 27 8.370 8.370 8.468 -0.098 18531
8739 1 34 . 1 1 28 28 LYS N N 28 116.300 116.300 119.378 -3.078 18531
8740 1 34 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.021 -0.351 18531
8741 1 34 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.834 0.766 18531
8742 1 34 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.434 -0.234 18531
8743 1 34 . 1 1 28 28 LYS H H 28 7.170 7.170 7.456 -0.286 18531
8744 1 34 . 1 1 29 29 ALA N N 29 122.000 122.000 122.862 -0.862 18531
8745 1 34 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.080 0.010 18531
8746 1 34 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.746 -0.046 18531
8747 1 34 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.341 -0.841 18531
8748 1 34 . 1 1 29 29 ALA H H 29 7.200 7.200 7.324 -0.124 18531
8749 1 34 . 1 1 30 30 PHE N N 30 119.600 119.600 117.890 1.710 18531
8750 1 34 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.103 0.677 18531
8751 1 34 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.051 -4.451 18531
8752 1 34 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.349 -0.949 18531
8753 1 34 . 1 1 30 30 PHE H H 30 8.610 8.610 8.577 0.033 18531
8754 1 34 . 1 1 31 31 LYS N N 31 122.800 122.800 117.188 5.612 18531
8755 1 34 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.769 0.321 18531
8756 1 34 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.289 0.411 18531
8757 1 34 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.477 0.123 18531
8758 1 34 . 1 1 31 31 LYS H H 31 9.030 9.030 7.544 1.486 18531
8759 1 34 . 1 1 32 32 GLN N N 32 119.600 119.600 119.496 0.104 18531
8760 1 34 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.055 -0.025 18531
8761 1 34 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.408 -0.708 18531
8762 1 34 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.352 -0.252 18531
8763 1 34 . 1 1 32 32 GLN H H 32 7.510 7.510 7.717 -0.207 18531
8764 1 34 . 1 1 33 33 TYR N N 33 120.400 120.400 120.563 -0.163 18531
8765 1 34 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.088 0.162 18531
8766 1 34 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.217 0.583 18531
8767 1 34 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.449 0.251 18531
8768 1 34 . 1 1 33 33 TYR H H 33 8.080 8.080 7.787 0.293 18531
8769 1 34 . 1 1 34 34 ALA N N 34 122.300 122.300 121.141 1.159 18531
8770 1 34 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.096 -0.316 18531
8771 1 34 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.491 1.609 18531
8772 1 34 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.965 -1.264 18531
8773 1 34 . 1 1 34 34 ALA H H 34 9.210 9.210 7.940 1.270 18531
8774 1 34 . 1 1 35 35 ASN N N 35 117.700 117.700 118.920 -1.220 18531
8775 1 34 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.432 0.028 18531
8776 1 34 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.112 0.888 18531
8777 1 34 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.926 1.074 18531
8778 1 34 . 1 1 35 35 ASN H H 35 8.390 8.390 8.591 -0.201 18531
8779 1 34 . 1 1 36 36 ASP N N 36 121.100 121.100 119.976 1.124 18531
8780 1 34 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.480 -0.120 18531
8781 1 34 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.609 0.090 18531
8782 1 34 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.535 -0.535 18531
8783 1 34 . 1 1 36 36 ASP H H 36 8.830 8.830 8.539 0.291 18531
8784 1 34 . 1 1 37 37 ASN N N 37 115.200 115.200 115.490 -0.290 18531
8785 1 34 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.706 -0.096 18531
8786 1 34 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.211 1.489 18531
8787 1 34 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.184 0.816 18531
8788 1 34 . 1 1 37 37 ASN H H 37 7.390 7.390 7.662 -0.272 18531
8789 1 34 . 1 1 38 38 GLY N N 38 108.200 108.200 110.247 -2.047 18531
8790 1 34 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.125 1.275 18531
8791 1 34 . 1 1 38 38 GLY H H 38 7.800 7.800 8.073 -0.273 18531
8792 1 34 . 1 1 39 39 VAL N N 39 120.800 120.800 119.808 0.992 18531
8793 1 34 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.807 0.333 18531
8794 1 34 . 1 1 39 39 VAL CA C 39 61.700 61.700 63.012 -1.312 18531
8795 1 34 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.298 1.002 18531
8796 1 34 . 1 1 39 39 VAL H H 39 8.120 8.120 8.281 -0.161 18531
8797 1 34 . 1 1 40 40 ASP N N 40 128.000 128.000 125.033 2.967 18531
8798 1 34 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.871 0.019 18531
8799 1 34 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.731 -0.931 18531
8800 1 34 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.636 -0.536 18531
8801 1 34 . 1 1 40 40 ASP H H 40 8.770 8.770 8.217 0.553 18531
8802 1 34 . 1 1 41 41 GLY N N 41 107.100 107.100 108.901 -1.801 18531
8803 1 34 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.560 -0.160 18531
8804 1 34 . 1 1 41 41 GLY H H 41 7.910 7.910 8.318 -0.408 18531
8805 1 34 . 1 1 42 42 VAL N N 42 120.300 120.300 122.882 -2.582 18531
8806 1 34 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.418 -0.038 18531
8807 1 34 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.798 0.302 18531
8808 1 34 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.895 0.505 18531
8809 1 34 . 1 1 42 42 VAL H H 42 8.250 8.250 8.053 0.197 18531
8810 1 34 . 1 1 43 43 TRP N N 43 130.700 130.700 127.718 2.982 18531
8811 1 34 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.716 -0.356 18531
8812 1 34 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.030 1.570 18531
8813 1 34 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.518 -2.318 18531
8814 1 34 . 1 1 43 43 TRP H H 43 9.360 9.360 8.638 0.722 18531
8815 1 34 . 1 1 44 44 THR N N 44 114.500 114.500 118.166 -3.666 18531
8816 1 34 . 1 1 44 44 THR HA H 44 4.830 4.830 4.724 0.106 18531
8817 1 34 . 1 1 44 44 THR CA C 44 60.300 60.300 61.398 -1.098 18531
8818 1 34 . 1 1 44 44 THR CB C 44 72.100 72.100 70.734 1.366 18531
8819 1 34 . 1 1 44 44 THR H H 44 9.400 9.400 8.927 0.473 18531
8820 1 34 . 1 1 45 45 TYR N N 45 120.100 120.100 128.200 -8.100 18531
8821 1 34 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.522 0.448 18531
8822 1 34 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.082 0.918 18531
8823 1 34 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.358 1.242 18531
8824 1 34 . 1 1 45 45 TYR H H 45 8.580 8.580 8.802 -0.222 18531
8825 1 34 . 1 1 46 46 ASP N N 46 128.300 128.300 128.372 -0.072 18531
8826 1 34 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.466 0.114 18531
8827 1 34 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.436 -0.536 18531
8828 1 34 . 1 1 46 46 ASP CB C 46 43.100 43.100 42.216 0.884 18531
8829 1 34 . 1 1 46 46 ASP H H 46 7.580 7.580 7.861 -0.281 18531
8830 1 34 . 1 1 47 47 ASP N N 47 124.800 124.800 125.570 -0.770 18531
8831 1 34 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.261 -0.151 18531
8832 1 34 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.870 -0.370 18531
8833 1 34 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.346 1.754 18531
8834 1 34 . 1 1 47 47 ASP H H 47 8.590 8.590 8.117 0.473 18531
8835 1 34 . 1 1 48 48 ALA N N 48 119.700 119.700 122.559 -2.859 18531
8836 1 34 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.058 0.032 18531
8837 1 34 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.352 0.647 18531
8838 1 34 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.745 -0.445 18531
8839 1 34 . 1 1 48 48 ALA H H 48 8.340 8.340 8.228 0.112 18531
8840 1 34 . 1 1 49 49 THR N N 49 103.200 103.200 106.772 -3.572 18531
8841 1 34 . 1 1 49 49 THR HA H 49 4.390 4.390 4.441 -0.051 18531
8842 1 34 . 1 1 49 49 THR CA C 49 60.200 60.200 60.499 -0.299 18531
8843 1 34 . 1 1 49 49 THR CB C 49 70.000 70.000 69.437 0.563 18531
8844 1 34 . 1 1 49 49 THR H H 49 7.000 7.000 7.709 -0.709 18531
8845 1 34 . 1 1 50 50 LYS N N 50 123.100 123.100 119.021 4.079 18531
8846 1 34 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.085 0.105 18531
8847 1 34 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.569 -0.969 18531
8848 1 34 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.687 -1.087 18531
8849 1 34 . 1 1 50 50 LYS H H 50 7.860 7.860 7.957 -0.097 18531
8850 1 34 . 1 1 51 51 THR N N 51 111.200 111.200 113.416 -2.216 18531
8851 1 34 . 1 1 51 51 THR HA H 51 5.490 5.490 4.931 0.559 18531
8852 1 34 . 1 1 51 51 THR CA C 51 62.300 62.300 61.445 0.855 18531
8853 1 34 . 1 1 51 51 THR CB C 51 72.100 72.100 71.426 0.674 18531
8854 1 34 . 1 1 51 51 THR H H 51 7.390 7.390 7.433 -0.043 18531
8855 1 34 . 1 1 52 52 PHE N N 52 131.000 131.000 126.845 4.155 18531
8856 1 34 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.843 -0.213 18531
8857 1 34 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.660 1.640 18531
8858 1 34 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.717 -0.117 18531
8859 1 34 . 1 1 52 52 PHE H H 52 10.390 10.390 8.710 1.680 18531
8860 1 34 . 1 1 53 53 THR N N 53 117.400 117.400 116.498 0.902 18531
8861 1 34 . 1 1 53 53 THR HA H 53 5.270 5.270 4.458 0.812 18531
8862 1 34 . 1 1 53 53 THR CA C 53 61.200 61.200 61.924 -0.724 18531
8863 1 34 . 1 1 53 53 THR CB C 53 71.000 71.000 70.634 0.366 18531
8864 1 34 . 1 1 53 53 THR H H 53 9.180 9.180 8.845 0.335 18531
8865 1 34 . 1 1 54 54 VAL N N 54 123.000 123.000 128.302 -5.302 18531
8866 1 34 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.844 0.616 18531
8867 1 34 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.001 -0.901 18531
8868 1 34 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.654 -1.353 18531
8869 1 34 . 1 1 54 54 VAL H H 54 8.280 8.280 8.172 0.108 18531
8870 1 34 . 1 1 55 55 THR N N 55 123.900 123.900 124.166 -0.266 18531
8871 1 34 . 1 1 55 55 THR HA H 55 4.700 4.700 4.613 0.087 18531
8872 1 34 . 1 1 55 55 THR CA C 55 61.200 61.200 60.102 1.097 18531
8873 1 34 . 1 1 55 55 THR CB C 55 70.700 70.700 70.656 0.043 18531
8874 1 34 . 1 1 55 55 THR H H 55 8.320 8.320 8.099 0.221 18531
8875 1 35 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.398 0.652 18531
8876 1 35 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.873 -0.273 18531
8877 1 35 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.974 -1.274 18531
8878 1 35 . 1 1 2 2 GLN H H 2 8.410 8.410 7.853 0.557 18531
8879 1 35 . 1 1 3 3 TYR N N 3 124.000 124.000 122.689 1.311 18531
8880 1 35 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.339 0.021 18531
8881 1 35 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.572 0.528 18531
8882 1 35 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.994 1.606 18531
8883 1 35 . 1 1 3 3 TYR H H 3 9.070 9.070 8.874 0.196 18531
8884 1 35 . 1 1 4 4 LYS N N 4 122.500 122.500 122.394 0.106 18531
8885 1 35 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.934 0.286 18531
8886 1 35 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.824 0.176 18531
8887 1 35 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.773 0.227 18531
8888 1 35 . 1 1 4 4 LYS H H 4 9.100 9.100 8.869 0.231 18531
8889 1 35 . 1 1 5 5 LEU N N 5 126.400 126.400 126.712 -0.312 18531
8890 1 35 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.102 -0.132 18531
8891 1 35 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.514 -0.714 18531
8892 1 35 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.555 -3.955 18531
8893 1 35 . 1 1 5 5 LEU H H 5 8.620 8.620 8.343 0.277 18531
8894 1 35 . 1 1 6 6 VAL N N 6 127.000 127.000 125.093 1.907 18531
8895 1 35 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.336 -0.176 18531
8896 1 35 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.669 0.631 18531
8897 1 35 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.890 -1.190 18531
8898 1 35 . 1 1 6 6 VAL H H 6 9.190 9.190 7.992 1.198 18531
8899 1 35 . 1 1 7 7 ILE N N 7 125.400 125.400 128.690 -3.290 18531
8900 1 35 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.189 -0.099 18531
8901 1 35 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.852 -0.152 18531
8902 1 35 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.431 0.569 18531
8903 1 35 . 1 1 7 7 ILE H H 7 8.800 8.800 8.661 0.139 18531
8904 1 35 . 1 1 8 8 ASN N N 8 128.900 128.900 127.472 1.428 18531
8905 1 35 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.001 0.279 18531
8906 1 35 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.295 -1.495 18531
8907 1 35 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.874 -0.774 18531
8908 1 35 . 1 1 8 8 ASN H H 8 8.990 8.990 8.000 0.990 18531
8909 1 35 . 1 1 9 9 GLY N N 9 110.200 110.200 107.172 3.028 18531
8910 1 35 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.394 0.306 18531
8911 1 35 . 1 1 9 9 GLY H H 9 7.920 7.920 8.283 -0.363 18531
8912 1 35 . 1 1 10 10 LYS N N 10 120.700 120.700 123.396 -2.696 18531
8913 1 35 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.031 0.029 18531
8914 1 35 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.939 0.261 18531
8915 1 35 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.562 0.338 18531
8916 1 35 . 1 1 10 10 LYS H H 10 9.520 9.520 8.688 0.832 18531
8917 1 35 . 1 1 11 11 THR N N 11 108.900 108.900 106.595 2.305 18531
8918 1 35 . 1 1 11 11 THR HA H 11 4.360 4.360 4.338 0.022 18531
8919 1 35 . 1 1 11 11 THR CA C 11 62.000 62.000 61.706 0.294 18531
8920 1 35 . 1 1 11 11 THR CB C 11 69.800 69.800 69.897 -0.097 18531
8921 1 35 . 1 1 11 11 THR H H 11 8.790 8.790 7.916 0.874 18531
8922 1 35 . 1 1 12 12 LEU N N 12 125.700 125.700 123.649 2.051 18531
8923 1 35 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.546 -0.106 18531
8924 1 35 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.335 0.665 18531
8925 1 35 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.271 0.029 18531
8926 1 35 . 1 1 12 12 LEU H H 12 7.580 7.580 7.812 -0.232 18531
8927 1 35 . 1 1 13 13 LYS N N 13 123.500 123.500 125.716 -2.216 18531
8928 1 35 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.057 0.063 18531
8929 1 35 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.194 -1.294 18531
8930 1 35 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.411 -0.611 18531
8931 1 35 . 1 1 13 13 LYS H H 13 8.140 8.140 8.492 -0.352 18531
8932 1 35 . 1 1 14 14 GLY N N 14 109.100 109.100 111.295 -2.195 18531
8933 1 35 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.872 -0.672 18531
8934 1 35 . 1 1 14 14 GLY H H 14 8.340 8.340 8.864 -0.524 18531
8935 1 35 . 1 1 15 15 GLU N N 15 118.200 118.200 118.935 -0.735 18531
8936 1 35 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.732 0.868 18531
8937 1 35 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.769 -1.269 18531
8938 1 35 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.516 0.284 18531
8939 1 35 . 1 1 15 15 GLU H H 15 8.390 8.390 8.513 -0.123 18531
8940 1 35 . 1 1 16 16 THR N N 16 115.600 115.600 115.556 0.044 18531
8941 1 35 . 1 1 16 16 THR HA H 16 4.730 4.730 4.700 0.030 18531
8942 1 35 . 1 1 16 16 THR CA C 16 60.600 60.600 61.539 -0.939 18531
8943 1 35 . 1 1 16 16 THR CB C 16 69.500 69.500 69.700 -0.200 18531
8944 1 35 . 1 1 16 16 THR H H 16 8.820 8.820 8.336 0.484 18531
8945 1 35 . 1 1 17 17 THR N N 17 111.800 111.800 114.866 -3.066 18531
8946 1 35 . 1 1 17 17 THR HA H 17 5.790 5.790 5.223 0.567 18531
8947 1 35 . 1 1 17 17 THR CA C 17 59.800 59.800 60.502 -0.702 18531
8948 1 35 . 1 1 17 17 THR CB C 17 73.100 73.100 71.971 1.129 18531
8949 1 35 . 1 1 17 17 THR H H 17 8.140 8.140 8.252 -0.112 18531
8950 1 35 . 1 1 18 18 THR N N 18 115.100 115.100 114.705 0.395 18531
8951 1 35 . 1 1 18 18 THR HA H 18 4.640 4.640 4.559 0.081 18531
8952 1 35 . 1 1 18 18 THR CA C 18 61.900 61.900 61.287 0.613 18531
8953 1 35 . 1 1 18 18 THR CB C 18 70.000 70.000 70.231 -0.231 18531
8954 1 35 . 1 1 18 18 THR H H 18 8.930 8.930 8.613 0.317 18531
8955 1 35 . 1 1 19 19 LYS N N 19 124.300 124.300 125.889 -1.589 18531
8956 1 35 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.804 0.526 18531
8957 1 35 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.032 -0.032 18531
8958 1 35 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.490 0.310 18531
8959 1 35 . 1 1 19 19 LYS H H 19 7.950 7.950 8.440 -0.490 18531
8960 1 35 . 1 1 20 20 ALA N N 20 124.600 124.600 128.221 -3.621 18531
8961 1 35 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.614 0.166 18531
8962 1 35 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.250 -0.350 18531
8963 1 35 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.400 2.400 18531
8964 1 35 . 1 1 20 20 ALA H H 20 9.110 9.110 8.471 0.639 18531
8965 1 35 . 1 1 21 21 VAL N N 21 115.300 115.300 118.871 -3.571 18531
8966 1 35 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.911 0.199 18531
8967 1 35 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.620 -1.320 18531
8968 1 35 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.601 0.599 18531
8969 1 35 . 1 1 21 21 VAL H H 21 8.480 8.480 8.494 -0.014 18531
8970 1 35 . 1 1 22 22 ASP N N 22 115.200 115.200 114.351 0.849 18531
8971 1 35 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.842 -0.132 18531
8972 1 35 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.274 0.126 18531
8973 1 35 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.216 -0.016 18531
8974 1 35 . 1 1 22 22 ASP H H 22 7.310 7.310 7.835 -0.525 18531
8975 1 35 . 1 1 23 23 ALA N N 23 121.000 121.000 122.192 -1.192 18531
8976 1 35 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.709 -0.369 18531
8977 1 35 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.946 -0.046 18531
8978 1 35 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.378 -0.878 18531
8979 1 35 . 1 1 23 23 ALA H H 23 8.370 8.370 8.721 -0.351 18531
8980 1 35 . 1 1 24 24 GLU N N 24 118.900 118.900 119.679 -0.779 18531
8981 1 35 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.896 -0.036 18531
8982 1 35 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.156 0.544 18531
8983 1 35 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.889 0.211 18531
8984 1 35 . 1 1 24 24 GLU H H 24 8.410 8.410 8.652 -0.242 18531
8985 1 35 . 1 1 25 25 THR N N 25 117.400 117.400 116.080 1.320 18531
8986 1 35 . 1 1 25 25 THR HA H 25 3.670 3.670 4.002 -0.332 18531
8987 1 35 . 1 1 25 25 THR CA C 25 66.800 66.800 65.733 1.067 18531
8988 1 35 . 1 1 25 25 THR CB C 25 68.000 68.000 68.779 -0.779 18531
8989 1 35 . 1 1 25 25 THR H H 25 8.380 8.380 7.689 0.691 18531
8990 1 35 . 1 1 26 26 ALA N N 26 125.100 125.100 123.970 1.130 18531
8991 1 35 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.774 -0.584 18531
8992 1 35 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.604 0.396 18531
8993 1 35 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.701 -0.401 18531
8994 1 35 . 1 1 26 26 ALA H H 26 7.220 7.220 7.442 -0.222 18531
8995 1 35 . 1 1 27 27 GLU N N 27 117.400 117.400 117.550 -0.150 18531
8996 1 35 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.781 -1.191 18531
8997 1 35 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.497 0.203 18531
8998 1 35 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.479 -0.279 18531
8999 1 35 . 1 1 27 27 GLU H H 27 8.370 8.370 8.191 0.179 18531
9000 1 35 . 1 1 28 28 LYS N N 28 116.300 116.300 119.481 -3.181 18531
9001 1 35 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.021 -0.351 18531
9002 1 35 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.695 0.905 18531
9003 1 35 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.334 -0.134 18531
9004 1 35 . 1 1 28 28 LYS H H 28 7.170 7.170 7.363 -0.193 18531
9005 1 35 . 1 1 29 29 ALA N N 29 122.000 122.000 122.413 -0.413 18531
9006 1 35 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.097 -0.007 18531
9007 1 35 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.743 -0.043 18531
9008 1 35 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.144 -0.644 18531
9009 1 35 . 1 1 29 29 ALA H H 29 7.200 7.200 7.311 -0.111 18531
9010 1 35 . 1 1 30 30 PHE N N 30 119.600 119.600 117.977 1.623 18531
9011 1 35 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.085 0.695 18531
9012 1 35 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.006 -4.406 18531
9013 1 35 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.255 -0.855 18531
9014 1 35 . 1 1 30 30 PHE H H 30 8.610 8.610 8.520 0.090 18531
9015 1 35 . 1 1 31 31 LYS N N 31 122.800 122.800 117.138 5.662 18531
9016 1 35 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.637 0.453 18531
9017 1 35 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.000 0.700 18531
9018 1 35 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.432 0.168 18531
9019 1 35 . 1 1 31 31 LYS H H 31 9.030 9.030 7.495 1.535 18531
9020 1 35 . 1 1 32 32 GLN N N 32 119.600 119.600 119.652 -0.052 18531
9021 1 35 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.046 -0.016 18531
9022 1 35 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.263 -0.563 18531
9023 1 35 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.294 -0.194 18531
9024 1 35 . 1 1 32 32 GLN H H 32 7.510 7.510 7.782 -0.272 18531
9025 1 35 . 1 1 33 33 TYR N N 33 120.400 120.400 120.824 -0.424 18531
9026 1 35 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.149 0.101 18531
9027 1 35 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.170 0.630 18531
9028 1 35 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.286 0.414 18531
9029 1 35 . 1 1 33 33 TYR H H 33 8.080 8.080 7.762 0.318 18531
9030 1 35 . 1 1 34 34 ALA N N 34 122.300 122.300 121.742 0.558 18531
9031 1 35 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.982 -0.202 18531
9032 1 35 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.675 1.425 18531
9033 1 35 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.765 -1.065 18531
9034 1 35 . 1 1 34 34 ALA H H 34 9.210 9.210 8.055 1.155 18531
9035 1 35 . 1 1 35 35 ASN N N 35 117.700 117.700 118.586 -0.886 18531
9036 1 35 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.398 0.062 18531
9037 1 35 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.052 0.948 18531
9038 1 35 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.867 1.133 18531
9039 1 35 . 1 1 35 35 ASN H H 35 8.390 8.390 8.445 -0.055 18531
9040 1 35 . 1 1 36 36 ASP N N 36 121.100 121.100 120.468 0.632 18531
9041 1 35 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.447 -0.087 18531
9042 1 35 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.849 -0.149 18531
9043 1 35 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.417 -0.417 18531
9044 1 35 . 1 1 36 36 ASP H H 36 8.830 8.830 8.633 0.197 18531
9045 1 35 . 1 1 37 37 ASN N N 37 115.200 115.200 115.879 -0.679 18531
9046 1 35 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.697 -0.087 18531
9047 1 35 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.353 1.347 18531
9048 1 35 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.110 0.890 18531
9049 1 35 . 1 1 37 37 ASN H H 37 7.390 7.390 7.674 -0.284 18531
9050 1 35 . 1 1 38 38 GLY N N 38 108.200 108.200 109.811 -1.611 18531
9051 1 35 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.206 1.194 18531
9052 1 35 . 1 1 38 38 GLY H H 38 7.800 7.800 8.191 -0.391 18531
9053 1 35 . 1 1 39 39 VAL N N 39 120.800 120.800 118.907 1.893 18531
9054 1 35 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.757 0.383 18531
9055 1 35 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.975 -1.275 18531
9056 1 35 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.839 1.461 18531
9057 1 35 . 1 1 39 39 VAL H H 39 8.120 8.120 8.147 -0.027 18531
9058 1 35 . 1 1 40 40 ASP N N 40 128.000 128.000 126.010 1.990 18531
9059 1 35 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.935 -0.045 18531
9060 1 35 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.161 -1.361 18531
9061 1 35 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.367 -0.267 18531
9062 1 35 . 1 1 40 40 ASP H H 40 8.770 8.770 8.066 0.705 18531
9063 1 35 . 1 1 41 41 GLY N N 41 107.100 107.100 111.113 -4.013 18531
9064 1 35 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.799 0.601 18531
9065 1 35 . 1 1 41 41 GLY H H 41 7.910 7.910 8.284 -0.374 18531
9066 1 35 . 1 1 42 42 VAL N N 42 120.300 120.300 121.248 -0.948 18531
9067 1 35 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.438 -0.058 18531
9068 1 35 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.757 0.343 18531
9069 1 35 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.211 0.189 18531
9070 1 35 . 1 1 42 42 VAL H H 42 8.250 8.250 8.160 0.090 18531
9071 1 35 . 1 1 43 43 TRP N N 43 130.700 130.700 129.664 1.036 18531
9072 1 35 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.657 -0.297 18531
9073 1 35 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.941 1.659 18531
9074 1 35 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.353 -1.153 18531
9075 1 35 . 1 1 43 43 TRP H H 43 9.360 9.360 8.651 0.709 18531
9076 1 35 . 1 1 44 44 THR N N 44 114.500 114.500 112.069 2.431 18531
9077 1 35 . 1 1 44 44 THR HA H 44 4.830 4.830 4.752 0.078 18531
9078 1 35 . 1 1 44 44 THR CA C 44 60.300 60.300 60.632 -0.332 18531
9079 1 35 . 1 1 44 44 THR CB C 44 72.100 72.100 71.415 0.685 18531
9080 1 35 . 1 1 44 44 THR H H 44 9.400 9.400 8.816 0.584 18531
9081 1 35 . 1 1 45 45 TYR N N 45 120.100 120.100 122.400 -2.300 18531
9082 1 35 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.618 0.352 18531
9083 1 35 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.279 -0.279 18531
9084 1 35 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.776 -0.176 18531
9085 1 35 . 1 1 45 45 TYR H H 45 8.580 8.580 8.497 0.083 18531
9086 1 35 . 1 1 46 46 ASP N N 46 128.300 128.300 127.762 0.538 18531
9087 1 35 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.472 0.108 18531
9088 1 35 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.182 -0.282 18531
9089 1 35 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.713 1.387 18531
9090 1 35 . 1 1 46 46 ASP H H 46 7.580 7.580 7.851 -0.271 18531
9091 1 35 . 1 1 47 47 ASP N N 47 124.800 124.800 123.998 0.802 18531
9092 1 35 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.235 -0.125 18531
9093 1 35 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.529 -0.029 18531
9094 1 35 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.481 1.619 18531
9095 1 35 . 1 1 47 47 ASP H H 47 8.590 8.590 8.044 0.546 18531
9096 1 35 . 1 1 48 48 ALA N N 48 119.700 119.700 122.491 -2.791 18531
9097 1 35 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.044 0.046 18531
9098 1 35 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.603 0.397 18531
9099 1 35 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.706 -0.406 18531
9100 1 35 . 1 1 48 48 ALA H H 48 8.340 8.340 7.917 0.423 18531
9101 1 35 . 1 1 49 49 THR N N 49 103.200 103.200 108.551 -5.351 18531
9102 1 35 . 1 1 49 49 THR HA H 49 4.390 4.390 4.356 0.034 18531
9103 1 35 . 1 1 49 49 THR CA C 49 60.200 60.200 60.304 -0.104 18531
9104 1 35 . 1 1 49 49 THR CB C 49 70.000 70.000 68.668 1.333 18531
9105 1 35 . 1 1 49 49 THR H H 49 7.000 7.000 7.735 -0.735 18531
9106 1 35 . 1 1 50 50 LYS N N 50 123.100 123.100 119.688 3.412 18531
9107 1 35 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.975 0.215 18531
9108 1 35 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.525 -0.925 18531
9109 1 35 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.736 -1.136 18531
9110 1 35 . 1 1 50 50 LYS H H 50 7.860 7.860 7.599 0.261 18531
9111 1 35 . 1 1 51 51 THR N N 51 111.200 111.200 114.831 -3.631 18531
9112 1 35 . 1 1 51 51 THR HA H 51 5.490 5.490 5.166 0.324 18531
9113 1 35 . 1 1 51 51 THR CA C 51 62.300 62.300 61.906 0.394 18531
9114 1 35 . 1 1 51 51 THR CB C 51 72.100 72.100 71.651 0.449 18531
9115 1 35 . 1 1 51 51 THR H H 51 7.390 7.390 7.342 0.048 18531
9116 1 35 . 1 1 52 52 PHE N N 52 131.000 131.000 125.786 5.214 18531
9117 1 35 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.272 0.358 18531
9118 1 35 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.147 1.153 18531
9119 1 35 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.042 0.558 18531
9120 1 35 . 1 1 52 52 PHE H H 52 10.390 10.390 9.455 0.935 18531
9121 1 35 . 1 1 53 53 THR N N 53 117.400 117.400 116.340 1.060 18531
9122 1 35 . 1 1 53 53 THR HA H 53 5.270 5.270 4.491 0.779 18531
9123 1 35 . 1 1 53 53 THR CA C 53 61.200 61.200 61.759 -0.559 18531
9124 1 35 . 1 1 53 53 THR CB C 53 71.000 71.000 70.607 0.393 18531
9125 1 35 . 1 1 53 53 THR H H 53 9.180 9.180 8.434 0.746 18531
9126 1 35 . 1 1 54 54 VAL N N 54 123.000 123.000 126.739 -3.739 18531
9127 1 35 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.696 0.764 18531
9128 1 35 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.916 -0.816 18531
9129 1 35 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.761 -0.461 18531
9130 1 35 . 1 1 54 54 VAL H H 54 8.280 8.280 7.705 0.575 18531
9131 1 35 . 1 1 55 55 THR N N 55 123.900 123.900 122.722 1.178 18531
9132 1 35 . 1 1 55 55 THR HA H 55 4.700 4.700 4.615 0.085 18531
9133 1 35 . 1 1 55 55 THR CA C 55 61.200 61.200 60.271 0.929 18531
9134 1 35 . 1 1 55 55 THR CB C 55 70.700 70.700 70.689 0.011 18531
9135 1 35 . 1 1 55 55 THR H H 55 8.320 8.320 7.663 0.657 18531
9136 1 36 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.624 0.426 18531
9137 1 36 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.512 0.088 18531
9138 1 36 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.616 -0.916 18531
9139 1 36 . 1 1 2 2 GLN H H 2 8.410 8.410 8.066 0.344 18531
9140 1 36 . 1 1 3 3 TYR N N 3 124.000 124.000 123.730 0.270 18531
9141 1 36 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.156 0.204 18531
9142 1 36 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.401 -0.301 18531
9143 1 36 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.828 2.772 18531
9144 1 36 . 1 1 3 3 TYR H H 3 9.070 9.070 8.459 0.611 18531
9145 1 36 . 1 1 4 4 LYS N N 4 122.500 122.500 121.259 1.241 18531
9146 1 36 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.855 0.365 18531
9147 1 36 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.845 0.155 18531
9148 1 36 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.422 0.578 18531
9149 1 36 . 1 1 4 4 LYS H H 4 9.100 9.100 9.219 -0.119 18531
9150 1 36 . 1 1 5 5 LEU N N 5 126.400 126.400 127.089 -0.689 18531
9151 1 36 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.076 -0.106 18531
9152 1 36 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.614 -0.814 18531
9153 1 36 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.448 -3.848 18531
9154 1 36 . 1 1 5 5 LEU H H 5 8.620 8.620 8.087 0.533 18531
9155 1 36 . 1 1 6 6 VAL N N 6 127.000 127.000 125.356 1.644 18531
9156 1 36 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.298 -0.138 18531
9157 1 36 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.572 0.728 18531
9158 1 36 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.149 -1.449 18531
9159 1 36 . 1 1 6 6 VAL H H 6 9.190 9.190 7.898 1.292 18531
9160 1 36 . 1 1 7 7 ILE N N 7 125.400 125.400 128.597 -3.197 18531
9161 1 36 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.335 -0.245 18531
9162 1 36 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.811 -0.111 18531
9163 1 36 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.220 0.780 18531
9164 1 36 . 1 1 7 7 ILE H H 7 8.800 8.800 7.849 0.951 18531
9165 1 36 . 1 1 8 8 ASN N N 8 128.900 128.900 126.627 2.273 18531
9166 1 36 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.008 0.272 18531
9167 1 36 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.383 -1.583 18531
9168 1 36 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.683 -1.583 18531
9169 1 36 . 1 1 8 8 ASN H H 8 8.990 8.990 8.021 0.969 18531
9170 1 36 . 1 1 9 9 GLY N N 9 110.200 110.200 107.429 2.771 18531
9171 1 36 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.016 0.684 18531
9172 1 36 . 1 1 9 9 GLY H H 9 7.920 7.920 8.360 -0.440 18531
9173 1 36 . 1 1 10 10 LYS N N 10 120.700 120.700 120.753 -0.053 18531
9174 1 36 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.128 -0.068 18531
9175 1 36 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.983 0.217 18531
9176 1 36 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.659 0.241 18531
9177 1 36 . 1 1 10 10 LYS H H 10 9.520 9.520 8.244 1.276 18531
9178 1 36 . 1 1 11 11 THR N N 11 108.900 108.900 109.825 -0.925 18531
9179 1 36 . 1 1 11 11 THR HA H 11 4.360 4.360 4.343 0.017 18531
9180 1 36 . 1 1 11 11 THR CA C 11 62.000 62.000 61.834 0.166 18531
9181 1 36 . 1 1 11 11 THR CB C 11 69.800 69.800 69.520 0.280 18531
9182 1 36 . 1 1 11 11 THR H H 11 8.790 8.790 7.574 1.216 18531
9183 1 36 . 1 1 12 12 LEU N N 12 125.700 125.700 122.997 2.703 18531
9184 1 36 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.595 -0.155 18531
9185 1 36 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.541 0.459 18531
9186 1 36 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.124 -1.824 18531
9187 1 36 . 1 1 12 12 LEU H H 12 7.580 7.580 7.516 0.064 18531
9188 1 36 . 1 1 13 13 LYS N N 13 123.500 123.500 122.522 0.978 18531
9189 1 36 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.862 0.258 18531
9190 1 36 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.963 -2.063 18531
9191 1 36 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.696 1.104 18531
9192 1 36 . 1 1 13 13 LYS H H 13 8.140 8.140 8.553 -0.413 18531
9193 1 36 . 1 1 14 14 GLY N N 14 109.100 109.100 110.479 -1.379 18531
9194 1 36 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.633 0.567 18531
9195 1 36 . 1 1 14 14 GLY H H 14 8.340 8.340 7.815 0.525 18531
9196 1 36 . 1 1 15 15 GLU N N 15 118.200 118.200 118.659 -0.459 18531
9197 1 36 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.587 1.013 18531
9198 1 36 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.173 -1.673 18531
9199 1 36 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.300 0.500 18531
9200 1 36 . 1 1 15 15 GLU H H 15 8.390 8.390 8.265 0.125 18531
9201 1 36 . 1 1 16 16 THR N N 16 115.600 115.600 114.860 0.740 18531
9202 1 36 . 1 1 16 16 THR HA H 16 4.730 4.730 4.577 0.153 18531
9203 1 36 . 1 1 16 16 THR CA C 16 60.600 60.600 61.502 -0.902 18531
9204 1 36 . 1 1 16 16 THR CB C 16 69.500 69.500 69.630 -0.130 18531
9205 1 36 . 1 1 16 16 THR H H 16 8.820 8.820 8.497 0.323 18531
9206 1 36 . 1 1 17 17 THR N N 17 111.800 111.800 114.055 -2.255 18531
9207 1 36 . 1 1 17 17 THR HA H 17 5.790 5.790 5.021 0.769 18531
9208 1 36 . 1 1 17 17 THR CA C 17 59.800 59.800 61.040 -1.240 18531
9209 1 36 . 1 1 17 17 THR CB C 17 73.100 73.100 72.018 1.082 18531
9210 1 36 . 1 1 17 17 THR H H 17 8.140 8.140 8.238 -0.098 18531
9211 1 36 . 1 1 18 18 THR N N 18 115.100 115.100 113.510 1.590 18531
9212 1 36 . 1 1 18 18 THR HA H 18 4.640 4.640 4.500 0.140 18531
9213 1 36 . 1 1 18 18 THR CA C 18 61.900 61.900 61.560 0.340 18531
9214 1 36 . 1 1 18 18 THR CB C 18 70.000 70.000 69.324 0.676 18531
9215 1 36 . 1 1 18 18 THR H H 18 8.930 8.930 8.580 0.350 18531
9216 1 36 . 1 1 19 19 LYS N N 19 124.300 124.300 120.505 3.795 18531
9217 1 36 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.774 0.556 18531
9218 1 36 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.619 -0.619 18531
9219 1 36 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.902 -0.102 18531
9220 1 36 . 1 1 19 19 LYS H H 19 7.950 7.950 8.252 -0.302 18531
9221 1 36 . 1 1 20 20 ALA N N 20 124.600 124.600 126.110 -1.510 18531
9222 1 36 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.614 0.166 18531
9223 1 36 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.192 -0.292 18531
9224 1 36 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.097 2.703 18531
9225 1 36 . 1 1 20 20 ALA H H 20 9.110 9.110 8.456 0.654 18531
9226 1 36 . 1 1 21 21 VAL N N 21 115.300 115.300 117.471 -2.171 18531
9227 1 36 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.750 0.360 18531
9228 1 36 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.089 -0.789 18531
9229 1 36 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.998 0.202 18531
9230 1 36 . 1 1 21 21 VAL H H 21 8.480 8.480 8.438 0.042 18531
9231 1 36 . 1 1 22 22 ASP N N 22 115.200 115.200 114.042 1.158 18531
9232 1 36 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.943 -0.233 18531
9233 1 36 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.643 -0.243 18531
9234 1 36 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.428 -0.228 18531
9235 1 36 . 1 1 22 22 ASP H H 22 7.310 7.310 7.547 -0.237 18531
9236 1 36 . 1 1 23 23 ALA N N 23 121.000 121.000 121.250 -0.250 18531
9237 1 36 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.765 -0.425 18531
9238 1 36 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.277 -0.377 18531
9239 1 36 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.362 -0.862 18531
9240 1 36 . 1 1 23 23 ALA H H 23 8.370 8.370 8.799 -0.429 18531
9241 1 36 . 1 1 24 24 GLU N N 24 118.900 118.900 118.363 0.537 18531
9242 1 36 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.932 -0.072 18531
9243 1 36 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.176 0.524 18531
9244 1 36 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.239 -0.139 18531
9245 1 36 . 1 1 24 24 GLU H H 24 8.410 8.410 8.637 -0.227 18531
9246 1 36 . 1 1 25 25 THR N N 25 117.400 117.400 115.302 2.098 18531
9247 1 36 . 1 1 25 25 THR HA H 25 3.670 3.670 4.064 -0.394 18531
9248 1 36 . 1 1 25 25 THR CA C 25 66.800 66.800 65.815 0.985 18531
9249 1 36 . 1 1 25 25 THR CB C 25 68.000 68.000 68.770 -0.770 18531
9250 1 36 . 1 1 25 25 THR H H 25 8.380 8.380 8.039 0.341 18531
9251 1 36 . 1 1 26 26 ALA N N 26 125.100 125.100 124.519 0.581 18531
9252 1 36 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.773 -0.583 18531
9253 1 36 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.558 0.442 18531
9254 1 36 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.584 -0.284 18531
9255 1 36 . 1 1 26 26 ALA H H 26 7.220 7.220 7.713 -0.493 18531
9256 1 36 . 1 1 27 27 GLU N N 27 117.400 117.400 117.684 -0.284 18531
9257 1 36 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.784 -1.194 18531
9258 1 36 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.361 0.340 18531
9259 1 36 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.451 -0.251 18531
9260 1 36 . 1 1 27 27 GLU H H 27 8.370 8.370 8.259 0.111 18531
9261 1 36 . 1 1 28 28 LYS N N 28 116.300 116.300 119.248 -2.948 18531
9262 1 36 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.030 -0.360 18531
9263 1 36 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.681 0.919 18531
9264 1 36 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.231 -0.031 18531
9265 1 36 . 1 1 28 28 LYS H H 28 7.170 7.170 7.564 -0.394 18531
9266 1 36 . 1 1 29 29 ALA N N 29 122.000 122.000 123.523 -1.523 18531
9267 1 36 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.111 -0.021 18531
9268 1 36 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.596 0.104 18531
9269 1 36 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.284 -0.784 18531
9270 1 36 . 1 1 29 29 ALA H H 29 7.200 7.200 7.199 0.001 18531
9271 1 36 . 1 1 30 30 PHE N N 30 119.600 119.600 117.263 2.337 18531
9272 1 36 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.091 0.689 18531
9273 1 36 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.280 -4.680 18531
9274 1 36 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.342 -0.942 18531
9275 1 36 . 1 1 30 30 PHE H H 30 8.610 8.610 8.433 0.177 18531
9276 1 36 . 1 1 31 31 LYS N N 31 122.800 122.800 117.351 5.449 18531
9277 1 36 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.567 0.523 18531
9278 1 36 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.455 1.245 18531
9279 1 36 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.761 -0.161 18531
9280 1 36 . 1 1 31 31 LYS H H 31 9.030 9.030 7.437 1.593 18531
9281 1 36 . 1 1 32 32 GLN N N 32 119.600 119.600 119.878 -0.278 18531
9282 1 36 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.958 0.072 18531
9283 1 36 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.297 -0.597 18531
9284 1 36 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.361 -0.261 18531
9285 1 36 . 1 1 32 32 GLN H H 32 7.510 7.510 7.621 -0.111 18531
9286 1 36 . 1 1 33 33 TYR N N 33 120.400 120.400 119.086 1.314 18531
9287 1 36 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.436 -0.186 18531
9288 1 36 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.850 0.950 18531
9289 1 36 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.396 0.304 18531
9290 1 36 . 1 1 33 33 TYR H H 33 8.080 8.080 7.929 0.151 18531
9291 1 36 . 1 1 34 34 ALA N N 34 122.300 122.300 122.054 0.246 18531
9292 1 36 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.138 -0.358 18531
9293 1 36 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.213 0.887 18531
9294 1 36 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.411 -0.711 18531
9295 1 36 . 1 1 34 34 ALA H H 34 9.210 9.210 8.033 1.177 18531
9296 1 36 . 1 1 35 35 ASN N N 35 117.700 117.700 117.856 -0.156 18531
9297 1 36 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.448 0.012 18531
9298 1 36 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.938 1.062 18531
9299 1 36 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.019 0.981 18531
9300 1 36 . 1 1 35 35 ASN H H 35 8.390 8.390 8.053 0.337 18531
9301 1 36 . 1 1 36 36 ASP N N 36 121.100 121.100 120.421 0.679 18531
9302 1 36 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.388 -0.028 18531
9303 1 36 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.852 -0.152 18531
9304 1 36 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.138 -0.138 18531
9305 1 36 . 1 1 36 36 ASP H H 36 8.830 8.830 8.277 0.553 18531
9306 1 36 . 1 1 37 37 ASN N N 37 115.200 115.200 114.448 0.752 18531
9307 1 36 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.756 -0.146 18531
9308 1 36 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.871 0.829 18531
9309 1 36 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.335 0.665 18531
9310 1 36 . 1 1 37 37 ASN H H 37 7.390 7.390 7.442 -0.052 18531
9311 1 36 . 1 1 38 38 GLY N N 38 108.200 108.200 108.836 -0.636 18531
9312 1 36 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.198 0.202 18531
9313 1 36 . 1 1 38 38 GLY H H 38 7.800 7.800 8.107 -0.307 18531
9314 1 36 . 1 1 39 39 VAL N N 39 120.800 120.800 120.808 -0.008 18531
9315 1 36 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.214 -0.074 18531
9316 1 36 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.883 -0.183 18531
9317 1 36 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.346 1.954 18531
9318 1 36 . 1 1 39 39 VAL H H 39 8.120 8.120 8.213 -0.093 18531
9319 1 36 . 1 1 40 40 ASP N N 40 128.000 128.000 127.625 0.375 18531
9320 1 36 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.111 -0.221 18531
9321 1 36 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.714 0.086 18531
9322 1 36 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.493 -1.393 18531
9323 1 36 . 1 1 40 40 ASP H H 40 8.770 8.770 8.407 0.363 18531
9324 1 36 . 1 1 41 41 GLY N N 41 107.100 107.100 109.162 -2.062 18531
9325 1 36 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.247 0.153 18531
9326 1 36 . 1 1 41 41 GLY H H 41 7.910 7.910 8.268 -0.358 18531
9327 1 36 . 1 1 42 42 VAL N N 42 120.300 120.300 122.943 -2.643 18531
9328 1 36 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.347 0.033 18531
9329 1 36 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.370 -0.270 18531
9330 1 36 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.505 0.895 18531
9331 1 36 . 1 1 42 42 VAL H H 42 8.250 8.250 8.285 -0.035 18531
9332 1 36 . 1 1 43 43 TRP N N 43 130.700 130.700 130.031 0.669 18531
9333 1 36 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.426 -0.066 18531
9334 1 36 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.762 0.838 18531
9335 1 36 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.443 -1.243 18531
9336 1 36 . 1 1 43 43 TRP H H 43 9.360 9.360 8.570 0.790 18531
9337 1 36 . 1 1 44 44 THR N N 44 114.500 114.500 113.754 0.746 18531
9338 1 36 . 1 1 44 44 THR HA H 44 4.830 4.830 4.642 0.188 18531
9339 1 36 . 1 1 44 44 THR CA C 44 60.300 60.300 61.063 -0.763 18531
9340 1 36 . 1 1 44 44 THR CB C 44 72.100 72.100 71.757 0.343 18531
9341 1 36 . 1 1 44 44 THR H H 44 9.400 9.400 8.351 1.049 18531
9342 1 36 . 1 1 45 45 TYR N N 45 120.100 120.100 123.630 -3.530 18531
9343 1 36 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.250 0.720 18531
9344 1 36 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.523 0.477 18531
9345 1 36 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.743 0.856 18531
9346 1 36 . 1 1 45 45 TYR H H 45 8.580 8.580 8.585 -0.005 18531
9347 1 36 . 1 1 46 46 ASP N N 46 128.300 128.300 129.180 -0.880 18531
9348 1 36 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.535 0.045 18531
9349 1 36 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.102 -0.202 18531
9350 1 36 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.757 1.343 18531
9351 1 36 . 1 1 46 46 ASP H H 46 7.580 7.580 7.795 -0.215 18531
9352 1 36 . 1 1 47 47 ASP N N 47 124.800 124.800 125.581 -0.781 18531
9353 1 36 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.363 -0.253 18531
9354 1 36 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.533 -0.033 18531
9355 1 36 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.558 1.542 18531
9356 1 36 . 1 1 47 47 ASP H H 47 8.590 8.590 8.017 0.573 18531
9357 1 36 . 1 1 48 48 ALA N N 48 119.700 119.700 123.021 -3.321 18531
9358 1 36 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.093 -0.003 18531
9359 1 36 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.636 0.364 18531
9360 1 36 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.613 -0.313 18531
9361 1 36 . 1 1 48 48 ALA H H 48 8.340 8.340 7.885 0.455 18531
9362 1 36 . 1 1 49 49 THR N N 49 103.200 103.200 107.093 -3.893 18531
9363 1 36 . 1 1 49 49 THR HA H 49 4.390 4.390 4.518 -0.128 18531
9364 1 36 . 1 1 49 49 THR CA C 49 60.200 60.200 60.928 -0.728 18531
9365 1 36 . 1 1 49 49 THR CB C 49 70.000 70.000 69.919 0.081 18531
9366 1 36 . 1 1 49 49 THR H H 49 7.000 7.000 7.669 -0.669 18531
9367 1 36 . 1 1 50 50 LYS N N 50 123.100 123.100 119.870 3.230 18531
9368 1 36 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.995 0.195 18531
9369 1 36 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.538 -0.938 18531
9370 1 36 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.786 -1.186 18531
9371 1 36 . 1 1 50 50 LYS H H 50 7.860 7.860 7.690 0.170 18531
9372 1 36 . 1 1 51 51 THR N N 51 111.200 111.200 114.893 -3.693 18531
9373 1 36 . 1 1 51 51 THR HA H 51 5.490 5.490 5.497 -0.007 18531
9374 1 36 . 1 1 51 51 THR CA C 51 62.300 62.300 61.872 0.428 18531
9375 1 36 . 1 1 51 51 THR CB C 51 72.100 72.100 71.727 0.373 18531
9376 1 36 . 1 1 51 51 THR H H 51 7.390 7.390 7.380 0.010 18531
9377 1 36 . 1 1 52 52 PHE N N 52 131.000 131.000 125.878 5.122 18531
9378 1 36 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.384 0.246 18531
9379 1 36 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.850 1.450 18531
9380 1 36 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.551 0.049 18531
9381 1 36 . 1 1 52 52 PHE H H 52 10.390 10.390 9.458 0.932 18531
9382 1 36 . 1 1 53 53 THR N N 53 117.400 117.400 116.660 0.740 18531
9383 1 36 . 1 1 53 53 THR HA H 53 5.270 5.270 4.461 0.809 18531
9384 1 36 . 1 1 53 53 THR CA C 53 61.200 61.200 61.843 -0.643 18531
9385 1 36 . 1 1 53 53 THR CB C 53 71.000 71.000 70.395 0.605 18531
9386 1 36 . 1 1 53 53 THR H H 53 9.180 9.180 8.434 0.746 18531
9387 1 36 . 1 1 54 54 VAL N N 54 123.000 123.000 127.874 -4.874 18531
9388 1 36 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.600 0.860 18531
9389 1 36 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.579 -0.479 18531
9390 1 36 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.594 -0.294 18531
9391 1 36 . 1 1 54 54 VAL H H 54 8.280 8.280 7.664 0.616 18531
9392 1 36 . 1 1 55 55 THR N N 55 123.900 123.900 122.909 0.991 18531
9393 1 36 . 1 1 55 55 THR HA H 55 4.700 4.700 4.703 -0.003 18531
9394 1 36 . 1 1 55 55 THR CA C 55 61.200 61.200 60.342 0.858 18531
9395 1 36 . 1 1 55 55 THR CB C 55 70.700 70.700 70.871 -0.171 18531
9396 1 36 . 1 1 55 55 THR H H 55 8.320 8.320 7.702 0.618 18531
9397 1 37 . 1 1 2 2 GLN HA H 2 5.050 5.050 3.967 1.083 18531
9398 1 37 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.993 -0.393 18531
9399 1 37 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.913 1.787 18531
9400 1 37 . 1 1 2 2 GLN H H 2 8.410 8.410 8.107 0.303 18531
9401 1 37 . 1 1 3 3 TYR N N 3 124.000 124.000 122.050 1.950 18531
9402 1 37 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.959 0.401 18531
9403 1 37 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.984 0.115 18531
9404 1 37 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.732 1.868 18531
9405 1 37 . 1 1 3 3 TYR H H 3 9.070 9.070 8.423 0.647 18531
9406 1 37 . 1 1 4 4 LYS N N 4 122.500 122.500 123.477 -0.977 18531
9407 1 37 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.884 0.336 18531
9408 1 37 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.412 -0.412 18531
9409 1 37 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.694 0.306 18531
9410 1 37 . 1 1 4 4 LYS H H 4 9.100 9.100 8.571 0.529 18531
9411 1 37 . 1 1 5 5 LEU N N 5 126.400 126.400 128.189 -1.789 18531
9412 1 37 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.556 -0.586 18531
9413 1 37 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.092 -0.292 18531
9414 1 37 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.249 -3.649 18531
9415 1 37 . 1 1 5 5 LEU H H 5 8.620 8.620 9.041 -0.421 18531
9416 1 37 . 1 1 6 6 VAL N N 6 127.000 127.000 125.634 1.366 18531
9417 1 37 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.360 -0.200 18531
9418 1 37 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.380 0.920 18531
9419 1 37 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.895 -2.195 18531
9420 1 37 . 1 1 6 6 VAL H H 6 9.190 9.190 7.976 1.214 18531
9421 1 37 . 1 1 7 7 ILE N N 7 125.400 125.400 126.737 -1.337 18531
9422 1 37 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.295 -0.205 18531
9423 1 37 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.576 0.124 18531
9424 1 37 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.410 -0.410 18531
9425 1 37 . 1 1 7 7 ILE H H 7 8.800 8.800 8.996 -0.196 18531
9426 1 37 . 1 1 8 8 ASN N N 8 128.900 128.900 126.958 1.942 18531
9427 1 37 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.983 0.297 18531
9428 1 37 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.403 -1.603 18531
9429 1 37 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.002 -0.902 18531
9430 1 37 . 1 1 8 8 ASN H H 8 8.990 8.990 8.024 0.966 18531
9431 1 37 . 1 1 9 9 GLY N N 9 110.200 110.200 107.934 2.266 18531
9432 1 37 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.261 0.439 18531
9433 1 37 . 1 1 9 9 GLY H H 9 7.920 7.920 8.094 -0.174 18531
9434 1 37 . 1 1 10 10 LYS N N 10 120.700 120.700 123.265 -2.565 18531
9435 1 37 . 1 1 10 10 LYS HA H 10 4.060 4.060 3.976 0.084 18531
9436 1 37 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.916 0.284 18531
9437 1 37 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.381 0.519 18531
9438 1 37 . 1 1 10 10 LYS H H 10 9.520 9.520 8.727 0.793 18531
9439 1 37 . 1 1 11 11 THR N N 11 108.900 108.900 108.081 0.819 18531
9440 1 37 . 1 1 11 11 THR HA H 11 4.360 4.360 4.280 0.080 18531
9441 1 37 . 1 1 11 11 THR CA C 11 62.000 62.000 62.162 -0.162 18531
9442 1 37 . 1 1 11 11 THR CB C 11 69.800 69.800 69.258 0.542 18531
9443 1 37 . 1 1 11 11 THR H H 11 8.790 8.790 7.538 1.252 18531
9444 1 37 . 1 1 12 12 LEU N N 12 125.700 125.700 123.335 2.365 18531
9445 1 37 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.646 -0.206 18531
9446 1 37 . 1 1 12 12 LEU CA C 12 55.000 55.000 53.888 1.112 18531
9447 1 37 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.699 -0.399 18531
9448 1 37 . 1 1 12 12 LEU H H 12 7.580 7.580 7.711 -0.131 18531
9449 1 37 . 1 1 13 13 LYS N N 13 123.500 123.500 125.281 -1.781 18531
9450 1 37 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.780 0.340 18531
9451 1 37 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.225 -1.325 18531
9452 1 37 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.611 -0.811 18531
9453 1 37 . 1 1 13 13 LYS H H 13 8.140 8.140 8.521 -0.381 18531
9454 1 37 . 1 1 14 14 GLY N N 14 109.100 109.100 110.219 -1.119 18531
9455 1 37 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.061 -0.861 18531
9456 1 37 . 1 1 14 14 GLY H H 14 8.340 8.340 8.724 -0.384 18531
9457 1 37 . 1 1 15 15 GLU N N 15 118.200 118.200 119.476 -1.276 18531
9458 1 37 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.109 0.491 18531
9459 1 37 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.400 -0.900 18531
9460 1 37 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.693 0.107 18531
9461 1 37 . 1 1 15 15 GLU H H 15 8.390 8.390 8.420 -0.030 18531
9462 1 37 . 1 1 16 16 THR N N 16 115.600 115.600 114.377 1.223 18531
9463 1 37 . 1 1 16 16 THR HA H 16 4.730 4.730 4.587 0.143 18531
9464 1 37 . 1 1 16 16 THR CA C 16 60.600 60.600 61.935 -1.335 18531
9465 1 37 . 1 1 16 16 THR CB C 16 69.500 69.500 69.756 -0.256 18531
9466 1 37 . 1 1 16 16 THR H H 16 8.820 8.820 8.651 0.169 18531
9467 1 37 . 1 1 17 17 THR N N 17 111.800 111.800 114.610 -2.810 18531
9468 1 37 . 1 1 17 17 THR HA H 17 5.790 5.790 5.399 0.391 18531
9469 1 37 . 1 1 17 17 THR CA C 17 59.800 59.800 60.429 -0.630 18531
9470 1 37 . 1 1 17 17 THR CB C 17 73.100 73.100 72.429 0.671 18531
9471 1 37 . 1 1 17 17 THR H H 17 8.140 8.140 8.205 -0.065 18531
9472 1 37 . 1 1 18 18 THR N N 18 115.100 115.100 114.668 0.432 18531
9473 1 37 . 1 1 18 18 THR HA H 18 4.640 4.640 4.535 0.105 18531
9474 1 37 . 1 1 18 18 THR CA C 18 61.900 61.900 61.336 0.564 18531
9475 1 37 . 1 1 18 18 THR CB C 18 70.000 70.000 69.996 0.004 18531
9476 1 37 . 1 1 18 18 THR H H 18 8.930 8.930 8.526 0.404 18531
9477 1 37 . 1 1 19 19 LYS N N 19 124.300 124.300 120.353 3.947 18531
9478 1 37 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.674 0.656 18531
9479 1 37 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.568 -0.568 18531
9480 1 37 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.654 -0.854 18531
9481 1 37 . 1 1 19 19 LYS H H 19 7.950 7.950 8.305 -0.355 18531
9482 1 37 . 1 1 20 20 ALA N N 20 124.600 124.600 125.969 -1.369 18531
9483 1 37 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.596 0.184 18531
9484 1 37 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.384 -0.484 18531
9485 1 37 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.380 2.420 18531
9486 1 37 . 1 1 20 20 ALA H H 20 9.110 9.110 8.263 0.847 18531
9487 1 37 . 1 1 21 21 VAL N N 21 115.300 115.300 118.812 -3.512 18531
9488 1 37 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.888 0.222 18531
9489 1 37 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.667 -1.367 18531
9490 1 37 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.433 0.767 18531
9491 1 37 . 1 1 21 21 VAL H H 21 8.480 8.480 8.498 -0.018 18531
9492 1 37 . 1 1 22 22 ASP N N 22 115.200 115.200 113.887 1.313 18531
9493 1 37 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.864 -0.154 18531
9494 1 37 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.446 -0.046 18531
9495 1 37 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.838 0.362 18531
9496 1 37 . 1 1 22 22 ASP H H 22 7.310 7.310 7.759 -0.449 18531
9497 1 37 . 1 1 23 23 ALA N N 23 121.000 121.000 121.014 -0.014 18531
9498 1 37 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.710 -0.370 18531
9499 1 37 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.936 -0.036 18531
9500 1 37 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.650 -1.150 18531
9501 1 37 . 1 1 23 23 ALA H H 23 8.370 8.370 8.782 -0.412 18531
9502 1 37 . 1 1 24 24 GLU N N 24 118.900 118.900 119.430 -0.530 18531
9503 1 37 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.936 -0.076 18531
9504 1 37 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.411 0.289 18531
9505 1 37 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.284 -0.184 18531
9506 1 37 . 1 1 24 24 GLU H H 24 8.410 8.410 8.379 0.031 18531
9507 1 37 . 1 1 25 25 THR N N 25 117.400 117.400 115.713 1.687 18531
9508 1 37 . 1 1 25 25 THR HA H 25 3.670 3.670 3.953 -0.283 18531
9509 1 37 . 1 1 25 25 THR CA C 25 66.800 66.800 66.235 0.565 18531
9510 1 37 . 1 1 25 25 THR CB C 25 68.000 68.000 68.434 -0.434 18531
9511 1 37 . 1 1 25 25 THR H H 25 8.380 8.380 8.468 -0.088 18531
9512 1 37 . 1 1 26 26 ALA N N 26 125.100 125.100 123.202 1.898 18531
9513 1 37 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.979 -0.789 18531
9514 1 37 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.231 0.769 18531
9515 1 37 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.942 -0.642 18531
9516 1 37 . 1 1 26 26 ALA H H 26 7.220 7.220 7.261 -0.041 18531
9517 1 37 . 1 1 27 27 GLU N N 27 117.400 117.400 119.728 -2.328 18531
9518 1 37 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.823 -1.233 18531
9519 1 37 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.791 -0.091 18531
9520 1 37 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.409 -0.209 18531
9521 1 37 . 1 1 27 27 GLU H H 27 8.370 8.370 8.080 0.290 18531
9522 1 37 . 1 1 28 28 LYS N N 28 116.300 116.300 118.204 -1.904 18531
9523 1 37 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.016 -0.346 18531
9524 1 37 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.934 0.666 18531
9525 1 37 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.652 0.548 18531
9526 1 37 . 1 1 28 28 LYS H H 28 7.170 7.170 7.615 -0.445 18531
9527 1 37 . 1 1 29 29 ALA N N 29 122.000 122.000 121.907 0.093 18531
9528 1 37 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.155 -0.065 18531
9529 1 37 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.431 0.269 18531
9530 1 37 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.130 -0.630 18531
9531 1 37 . 1 1 29 29 ALA H H 29 7.200 7.200 7.267 -0.067 18531
9532 1 37 . 1 1 30 30 PHE N N 30 119.600 119.600 118.524 1.076 18531
9533 1 37 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.378 0.402 18531
9534 1 37 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.378 -3.778 18531
9535 1 37 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.885 -1.485 18531
9536 1 37 . 1 1 30 30 PHE H H 30 8.610 8.610 8.258 0.352 18531
9537 1 37 . 1 1 31 31 LYS N N 31 122.800 122.800 118.668 4.132 18531
9538 1 37 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.626 0.464 18531
9539 1 37 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.552 1.148 18531
9540 1 37 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.685 -0.085 18531
9541 1 37 . 1 1 31 31 LYS H H 31 9.030 9.030 8.412 0.618 18531
9542 1 37 . 1 1 32 32 GLN N N 32 119.600 119.600 119.199 0.401 18531
9543 1 37 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.964 0.066 18531
9544 1 37 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.324 -0.624 18531
9545 1 37 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.376 -0.276 18531
9546 1 37 . 1 1 32 32 GLN H H 32 7.510 7.510 7.825 -0.315 18531
9547 1 37 . 1 1 33 33 TYR N N 33 120.400 120.400 119.837 0.563 18531
9548 1 37 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.455 -0.205 18531
9549 1 37 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.515 1.285 18531
9550 1 37 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.173 0.527 18531
9551 1 37 . 1 1 33 33 TYR H H 33 8.080 8.080 7.760 0.320 18531
9552 1 37 . 1 1 34 34 ALA N N 34 122.300 122.300 121.643 0.657 18531
9553 1 37 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.943 -0.163 18531
9554 1 37 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.022 1.078 18531
9555 1 37 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.406 -0.706 18531
9556 1 37 . 1 1 34 34 ALA H H 34 9.210 9.210 7.944 1.266 18531
9557 1 37 . 1 1 35 35 ASN N N 35 117.700 117.700 117.603 0.097 18531
9558 1 37 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.452 0.008 18531
9559 1 37 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.937 1.063 18531
9560 1 37 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.065 0.935 18531
9561 1 37 . 1 1 35 35 ASN H H 35 8.390 8.390 8.005 0.385 18531
9562 1 37 . 1 1 36 36 ASP N N 36 121.100 121.100 120.847 0.253 18531
9563 1 37 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.411 -0.051 18531
9564 1 37 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.968 -0.267 18531
9565 1 37 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.264 -0.264 18531
9566 1 37 . 1 1 36 36 ASP H H 36 8.830 8.830 8.257 0.573 18531
9567 1 37 . 1 1 37 37 ASN N N 37 115.200 115.200 114.617 0.583 18531
9568 1 37 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.719 -0.109 18531
9569 1 37 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.776 0.924 18531
9570 1 37 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.024 0.976 18531
9571 1 37 . 1 1 37 37 ASN H H 37 7.390 7.390 7.241 0.149 18531
9572 1 37 . 1 1 38 38 GLY N N 38 108.200 108.200 106.894 1.306 18531
9573 1 37 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.269 1.131 18531
9574 1 37 . 1 1 38 38 GLY H H 38 7.800 7.800 7.853 -0.053 18531
9575 1 37 . 1 1 39 39 VAL N N 39 120.800 120.800 121.045 -0.245 18531
9576 1 37 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.520 -0.380 18531
9577 1 37 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.108 -0.409 18531
9578 1 37 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.298 1.002 18531
9579 1 37 . 1 1 39 39 VAL H H 39 8.120 8.120 8.146 -0.026 18531
9580 1 37 . 1 1 40 40 ASP N N 40 128.000 128.000 127.768 0.232 18531
9581 1 37 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.095 -0.205 18531
9582 1 37 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.401 -0.601 18531
9583 1 37 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.900 -1.800 18531
9584 1 37 . 1 1 40 40 ASP H H 40 8.770 8.770 8.270 0.500 18531
9585 1 37 . 1 1 41 41 GLY N N 41 107.100 107.100 110.622 -3.522 18531
9586 1 37 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.514 -0.113 18531
9587 1 37 . 1 1 41 41 GLY H H 41 7.910 7.910 8.416 -0.506 18531
9588 1 37 . 1 1 42 42 VAL N N 42 120.300 120.300 123.424 -3.124 18531
9589 1 37 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.444 -0.064 18531
9590 1 37 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.911 0.189 18531
9591 1 37 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.620 -0.220 18531
9592 1 37 . 1 1 42 42 VAL H H 42 8.250 8.250 8.170 0.080 18531
9593 1 37 . 1 1 43 43 TRP N N 43 130.700 130.700 127.507 3.193 18531
9594 1 37 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.567 -0.207 18531
9595 1 37 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.183 1.417 18531
9596 1 37 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.635 -2.435 18531
9597 1 37 . 1 1 43 43 TRP H H 43 9.360 9.360 8.773 0.587 18531
9598 1 37 . 1 1 44 44 THR N N 44 114.500 114.500 115.503 -1.003 18531
9599 1 37 . 1 1 44 44 THR HA H 44 4.830 4.830 4.756 0.074 18531
9600 1 37 . 1 1 44 44 THR CA C 44 60.300 60.300 61.029 -0.730 18531
9601 1 37 . 1 1 44 44 THR CB C 44 72.100 72.100 71.415 0.685 18531
9602 1 37 . 1 1 44 44 THR H H 44 9.400 9.400 8.623 0.777 18531
9603 1 37 . 1 1 45 45 TYR N N 45 120.100 120.100 125.172 -5.072 18531
9604 1 37 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.309 0.661 18531
9605 1 37 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.199 0.801 18531
9606 1 37 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.412 1.188 18531
9607 1 37 . 1 1 45 45 TYR H H 45 8.580 8.580 8.635 -0.055 18531
9608 1 37 . 1 1 46 46 ASP N N 46 128.300 128.300 129.140 -0.840 18531
9609 1 37 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.468 0.112 18531
9610 1 37 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.169 -0.268 18531
9611 1 37 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.399 1.701 18531
9612 1 37 . 1 1 46 46 ASP H H 46 7.580 7.580 7.971 -0.391 18531
9613 1 37 . 1 1 47 47 ASP N N 47 124.800 124.800 124.615 0.185 18531
9614 1 37 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.358 -0.248 18531
9615 1 37 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.695 -0.195 18531
9616 1 37 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.551 1.549 18531
9617 1 37 . 1 1 47 47 ASP H H 47 8.590 8.590 8.127 0.463 18531
9618 1 37 . 1 1 48 48 ALA N N 48 119.700 119.700 123.080 -3.380 18531
9619 1 37 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.017 0.073 18531
9620 1 37 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.551 0.449 18531
9621 1 37 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.712 -0.412 18531
9622 1 37 . 1 1 48 48 ALA H H 48 8.340 8.340 7.811 0.529 18531
9623 1 37 . 1 1 49 49 THR N N 49 103.200 103.200 110.705 -7.505 18531
9624 1 37 . 1 1 49 49 THR HA H 49 4.390 4.390 4.431 -0.041 18531
9625 1 37 . 1 1 49 49 THR CA C 49 60.200 60.200 60.323 -0.123 18531
9626 1 37 . 1 1 49 49 THR CB C 49 70.000 70.000 68.644 1.356 18531
9627 1 37 . 1 1 49 49 THR H H 49 7.000 7.000 7.624 -0.624 18531
9628 1 37 . 1 1 50 50 LYS N N 50 123.100 123.100 120.220 2.880 18531
9629 1 37 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.045 0.145 18531
9630 1 37 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.315 -0.715 18531
9631 1 37 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.876 -1.276 18531
9632 1 37 . 1 1 50 50 LYS H H 50 7.860 7.860 7.647 0.213 18531
9633 1 37 . 1 1 51 51 THR N N 51 111.200 111.200 115.822 -4.622 18531
9634 1 37 . 1 1 51 51 THR HA H 51 5.490 5.490 4.812 0.678 18531
9635 1 37 . 1 1 51 51 THR CA C 51 62.300 62.300 62.447 -0.146 18531
9636 1 37 . 1 1 51 51 THR CB C 51 72.100 72.100 69.338 2.763 18531
9637 1 37 . 1 1 51 51 THR H H 51 7.390 7.390 7.442 -0.052 18531
9638 1 37 . 1 1 52 52 PHE N N 52 131.000 131.000 128.895 2.105 18531
9639 1 37 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.542 0.088 18531
9640 1 37 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.221 1.079 18531
9641 1 37 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.070 1.530 18531
9642 1 37 . 1 1 52 52 PHE H H 52 10.390 10.390 8.945 1.445 18531
9643 1 37 . 1 1 53 53 THR N N 53 117.400 117.400 117.545 -0.145 18531
9644 1 37 . 1 1 53 53 THR HA H 53 5.270 5.270 4.650 0.620 18531
9645 1 37 . 1 1 53 53 THR CA C 53 61.200 61.200 61.205 -0.005 18531
9646 1 37 . 1 1 53 53 THR CB C 53 71.000 71.000 72.415 -1.415 18531
9647 1 37 . 1 1 53 53 THR H H 53 9.180 9.180 8.469 0.711 18531
9648 1 37 . 1 1 54 54 VAL N N 54 123.000 123.000 123.250 -0.250 18531
9649 1 37 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.883 0.577 18531
9650 1 37 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.298 -1.198 18531
9651 1 37 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.055 -0.755 18531
9652 1 37 . 1 1 54 54 VAL H H 54 8.280 8.280 7.929 0.351 18531
9653 1 37 . 1 1 55 55 THR N N 55 123.900 123.900 123.683 0.217 18531
9654 1 37 . 1 1 55 55 THR HA H 55 4.700 4.700 4.596 0.104 18531
9655 1 37 . 1 1 55 55 THR CA C 55 61.200 61.200 60.948 0.252 18531
9656 1 37 . 1 1 55 55 THR CB C 55 70.700 70.700 70.695 0.005 18531
9657 1 37 . 1 1 55 55 THR H H 55 8.320 8.320 8.669 -0.349 18531
9658 1 38 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.531 0.519 18531
9659 1 38 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.276 0.324 18531
9660 1 38 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.426 -0.726 18531
9661 1 38 . 1 1 2 2 GLN H H 2 8.410 8.410 8.095 0.315 18531
9662 1 38 . 1 1 3 3 TYR N N 3 124.000 124.000 122.440 1.560 18531
9663 1 38 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.360 0.000 18531
9664 1 38 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.974 0.126 18531
9665 1 38 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.440 3.160 18531
9666 1 38 . 1 1 3 3 TYR H H 3 9.070 9.070 9.184 -0.114 18531
9667 1 38 . 1 1 4 4 LYS N N 4 122.500 122.500 122.476 0.024 18531
9668 1 38 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.915 0.305 18531
9669 1 38 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.807 0.193 18531
9670 1 38 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.685 0.315 18531
9671 1 38 . 1 1 4 4 LYS H H 4 9.100 9.100 8.623 0.477 18531
9672 1 38 . 1 1 5 5 LEU N N 5 126.400 126.400 126.715 -0.315 18531
9673 1 38 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.818 0.152 18531
9674 1 38 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.459 -0.659 18531
9675 1 38 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.543 -3.943 18531
9676 1 38 . 1 1 5 5 LEU H H 5 8.620 8.620 8.615 0.005 18531
9677 1 38 . 1 1 6 6 VAL N N 6 127.000 127.000 125.264 1.736 18531
9678 1 38 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.295 -0.135 18531
9679 1 38 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.733 0.567 18531
9680 1 38 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.225 -0.525 18531
9681 1 38 . 1 1 6 6 VAL H H 6 9.190 9.190 8.176 1.014 18531
9682 1 38 . 1 1 7 7 ILE N N 7 125.400 125.400 129.148 -3.748 18531
9683 1 38 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.134 -0.044 18531
9684 1 38 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.209 -0.509 18531
9685 1 38 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.180 0.820 18531
9686 1 38 . 1 1 7 7 ILE H H 7 8.800 8.800 8.412 0.388 18531
9687 1 38 . 1 1 8 8 ASN N N 8 128.900 128.900 127.765 1.135 18531
9688 1 38 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.984 0.296 18531
9689 1 38 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.301 -1.501 18531
9690 1 38 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.529 -0.430 18531
9691 1 38 . 1 1 8 8 ASN H H 8 8.990 8.990 7.938 1.052 18531
9692 1 38 . 1 1 9 9 GLY N N 9 110.200 110.200 107.012 3.188 18531
9693 1 38 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.270 0.430 18531
9694 1 38 . 1 1 9 9 GLY H H 9 7.920 7.920 8.268 -0.348 18531
9695 1 38 . 1 1 10 10 LYS N N 10 120.700 120.700 121.761 -1.061 18531
9696 1 38 . 1 1 10 10 LYS HA H 10 4.060 4.060 3.993 0.067 18531
9697 1 38 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.770 0.430 18531
9698 1 38 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.442 0.458 18531
9699 1 38 . 1 1 10 10 LYS H H 10 9.520 9.520 8.642 0.878 18531
9700 1 38 . 1 1 11 11 THR N N 11 108.900 108.900 107.606 1.294 18531
9701 1 38 . 1 1 11 11 THR HA H 11 4.360 4.360 4.298 0.062 18531
9702 1 38 . 1 1 11 11 THR CA C 11 62.000 62.000 61.895 0.105 18531
9703 1 38 . 1 1 11 11 THR CB C 11 69.800 69.800 69.486 0.314 18531
9704 1 38 . 1 1 11 11 THR H H 11 8.790 8.790 7.672 1.118 18531
9705 1 38 . 1 1 12 12 LEU N N 12 125.700 125.700 123.884 1.816 18531
9706 1 38 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.557 -0.117 18531
9707 1 38 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.340 0.660 18531
9708 1 38 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.111 0.189 18531
9709 1 38 . 1 1 12 12 LEU H H 12 7.580 7.580 7.835 -0.255 18531
9710 1 38 . 1 1 13 13 LYS N N 13 123.500 123.500 126.116 -2.616 18531
9711 1 38 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.001 0.119 18531
9712 1 38 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.342 -1.442 18531
9713 1 38 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.162 -0.362 18531
9714 1 38 . 1 1 13 13 LYS H H 13 8.140 8.140 8.546 -0.406 18531
9715 1 38 . 1 1 14 14 GLY N N 14 109.100 109.100 111.557 -2.457 18531
9716 1 38 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.656 -0.456 18531
9717 1 38 . 1 1 14 14 GLY H H 14 8.340 8.340 8.732 -0.392 18531
9718 1 38 . 1 1 15 15 GLU N N 15 118.200 118.200 118.929 -0.729 18531
9719 1 38 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.760 0.840 18531
9720 1 38 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.642 -1.142 18531
9721 1 38 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.341 0.459 18531
9722 1 38 . 1 1 15 15 GLU H H 15 8.390 8.390 8.426 -0.036 18531
9723 1 38 . 1 1 16 16 THR N N 16 115.600 115.600 115.485 0.115 18531
9724 1 38 . 1 1 16 16 THR HA H 16 4.730 4.730 4.587 0.143 18531
9725 1 38 . 1 1 16 16 THR CA C 16 60.600 60.600 61.561 -0.961 18531
9726 1 38 . 1 1 16 16 THR CB C 16 69.500 69.500 69.367 0.133 18531
9727 1 38 . 1 1 16 16 THR H H 16 8.820 8.820 8.338 0.482 18531
9728 1 38 . 1 1 17 17 THR N N 17 111.800 111.800 115.179 -3.379 18531
9729 1 38 . 1 1 17 17 THR HA H 17 5.790 5.790 5.458 0.332 18531
9730 1 38 . 1 1 17 17 THR CA C 17 59.800 59.800 60.108 -0.308 18531
9731 1 38 . 1 1 17 17 THR CB C 17 73.100 73.100 72.295 0.805 18531
9732 1 38 . 1 1 17 17 THR H H 17 8.140 8.140 8.194 -0.054 18531
9733 1 38 . 1 1 18 18 THR N N 18 115.100 115.100 114.946 0.154 18531
9734 1 38 . 1 1 18 18 THR HA H 18 4.640 4.640 4.631 0.009 18531
9735 1 38 . 1 1 18 18 THR CA C 18 61.900 61.900 61.371 0.529 18531
9736 1 38 . 1 1 18 18 THR CB C 18 70.000 70.000 71.393 -1.393 18531
9737 1 38 . 1 1 18 18 THR H H 18 8.930 8.930 8.690 0.240 18531
9738 1 38 . 1 1 19 19 LYS N N 19 124.300 124.300 122.742 1.558 18531
9739 1 38 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.689 0.641 18531
9740 1 38 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.038 -0.038 18531
9741 1 38 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.368 -0.568 18531
9742 1 38 . 1 1 19 19 LYS H H 19 7.950 7.950 8.378 -0.428 18531
9743 1 38 . 1 1 20 20 ALA N N 20 124.600 124.600 127.059 -2.459 18531
9744 1 38 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.650 0.130 18531
9745 1 38 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.224 -0.324 18531
9746 1 38 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.700 2.100 18531
9747 1 38 . 1 1 20 20 ALA H H 20 9.110 9.110 8.194 0.916 18531
9748 1 38 . 1 1 21 21 VAL N N 21 115.300 115.300 115.823 -0.523 18531
9749 1 38 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.828 0.282 18531
9750 1 38 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.362 -1.062 18531
9751 1 38 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.197 1.003 18531
9752 1 38 . 1 1 21 21 VAL H H 21 8.480 8.480 8.468 0.012 18531
9753 1 38 . 1 1 22 22 ASP N N 22 115.200 115.200 114.743 0.457 18531
9754 1 38 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.850 -0.140 18531
9755 1 38 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.423 -0.023 18531
9756 1 38 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.433 -0.233 18531
9757 1 38 . 1 1 22 22 ASP H H 22 7.310 7.310 7.759 -0.449 18531
9758 1 38 . 1 1 23 23 ALA N N 23 121.000 121.000 120.835 0.165 18531
9759 1 38 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.856 -0.516 18531
9760 1 38 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.275 0.625 18531
9761 1 38 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.784 -1.284 18531
9762 1 38 . 1 1 23 23 ALA H H 23 8.370 8.370 8.734 -0.364 18531
9763 1 38 . 1 1 24 24 GLU N N 24 118.900 118.900 120.037 -1.137 18531
9764 1 38 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.031 -0.171 18531
9765 1 38 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.711 0.989 18531
9766 1 38 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.404 -0.304 18531
9767 1 38 . 1 1 24 24 GLU H H 24 8.410 8.410 8.042 0.368 18531
9768 1 38 . 1 1 25 25 THR N N 25 117.400 117.400 115.391 2.009 18531
9769 1 38 . 1 1 25 25 THR HA H 25 3.670 3.670 3.953 -0.283 18531
9770 1 38 . 1 1 25 25 THR CA C 25 66.800 66.800 65.939 0.861 18531
9771 1 38 . 1 1 25 25 THR CB C 25 68.000 68.000 68.887 -0.887 18531
9772 1 38 . 1 1 25 25 THR H H 25 8.380 8.380 8.798 -0.418 18531
9773 1 38 . 1 1 26 26 ALA N N 26 125.100 125.100 122.234 2.866 18531
9774 1 38 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.969 -0.779 18531
9775 1 38 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.756 0.244 18531
9776 1 38 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.061 -0.761 18531
9777 1 38 . 1 1 26 26 ALA H H 26 7.220 7.220 7.520 -0.300 18531
9778 1 38 . 1 1 27 27 GLU N N 27 117.400 117.400 118.348 -0.948 18531
9779 1 38 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.654 -1.064 18531
9780 1 38 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.821 -0.121 18531
9781 1 38 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.168 0.032 18531
9782 1 38 . 1 1 27 27 GLU H H 27 8.370 8.370 7.786 0.584 18531
9783 1 38 . 1 1 28 28 LYS N N 28 116.300 116.300 118.528 -2.228 18531
9784 1 38 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.942 -0.272 18531
9785 1 38 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.497 0.103 18531
9786 1 38 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.934 0.266 18531
9787 1 38 . 1 1 28 28 LYS H H 28 7.170 7.170 7.639 -0.469 18531
9788 1 38 . 1 1 29 29 ALA N N 29 122.000 122.000 121.918 0.082 18531
9789 1 38 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.084 0.006 18531
9790 1 38 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.588 0.112 18531
9791 1 38 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.219 -0.719 18531
9792 1 38 . 1 1 29 29 ALA H H 29 7.200 7.200 7.180 0.020 18531
9793 1 38 . 1 1 30 30 PHE N N 30 119.600 119.600 118.727 0.873 18531
9794 1 38 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.173 0.607 18531
9795 1 38 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.972 -4.372 18531
9796 1 38 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.572 -1.172 18531
9797 1 38 . 1 1 30 30 PHE H H 30 8.610 8.610 8.534 0.076 18531
9798 1 38 . 1 1 31 31 LYS N N 31 122.800 122.800 118.745 4.055 18531
9799 1 38 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.466 0.624 18531
9800 1 38 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.395 0.305 18531
9801 1 38 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.952 -0.352 18531
9802 1 38 . 1 1 31 31 LYS H H 31 9.030 9.030 8.153 0.877 18531
9803 1 38 . 1 1 32 32 GLN N N 32 119.600 119.600 118.758 0.842 18531
9804 1 38 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.999 0.031 18531
9805 1 38 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.440 -0.740 18531
9806 1 38 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.339 -0.239 18531
9807 1 38 . 1 1 32 32 GLN H H 32 7.510 7.510 7.630 -0.120 18531
9808 1 38 . 1 1 33 33 TYR N N 33 120.400 120.400 120.551 -0.151 18531
9809 1 38 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.063 0.187 18531
9810 1 38 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.283 0.517 18531
9811 1 38 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.154 0.546 18531
9812 1 38 . 1 1 33 33 TYR H H 33 8.080 8.080 7.640 0.440 18531
9813 1 38 . 1 1 34 34 ALA N N 34 122.300 122.300 120.463 1.837 18531
9814 1 38 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.881 -0.101 18531
9815 1 38 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.462 0.638 18531
9816 1 38 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.396 -0.696 18531
9817 1 38 . 1 1 34 34 ALA H H 34 9.210 9.210 7.970 1.240 18531
9818 1 38 . 1 1 35 35 ASN N N 35 117.700 117.700 117.061 0.639 18531
9819 1 38 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.434 0.026 18531
9820 1 38 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.044 0.956 18531
9821 1 38 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.957 1.043 18531
9822 1 38 . 1 1 35 35 ASN H H 35 8.390 8.390 8.126 0.264 18531
9823 1 38 . 1 1 36 36 ASP N N 36 121.100 121.100 119.695 1.405 18531
9824 1 38 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.443 -0.083 18531
9825 1 38 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.395 0.305 18531
9826 1 38 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.626 -0.626 18531
9827 1 38 . 1 1 36 36 ASP H H 36 8.830 8.830 8.582 0.248 18531
9828 1 38 . 1 1 37 37 ASN N N 37 115.200 115.200 114.673 0.527 18531
9829 1 38 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.617 -0.007 18531
9830 1 38 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.534 0.166 18531
9831 1 38 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.739 0.261 18531
9832 1 38 . 1 1 37 37 ASN H H 37 7.390 7.390 7.902 -0.512 18531
9833 1 38 . 1 1 38 38 GLY N N 38 108.200 108.200 107.287 0.913 18531
9834 1 38 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.479 0.921 18531
9835 1 38 . 1 1 38 38 GLY H H 38 7.800 7.800 8.070 -0.270 18531
9836 1 38 . 1 1 39 39 VAL N N 39 120.800 120.800 121.362 -0.562 18531
9837 1 38 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.300 -0.160 18531
9838 1 38 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.271 -0.571 18531
9839 1 38 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.756 0.544 18531
9840 1 38 . 1 1 39 39 VAL H H 39 8.120 8.120 7.882 0.238 18531
9841 1 38 . 1 1 40 40 ASP N N 40 128.000 128.000 124.963 3.037 18531
9842 1 38 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.927 -0.037 18531
9843 1 38 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.206 -0.406 18531
9844 1 38 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.760 -0.660 18531
9845 1 38 . 1 1 40 40 ASP H H 40 8.770 8.770 7.953 0.817 18531
9846 1 38 . 1 1 41 41 GLY N N 41 107.100 107.100 109.071 -1.971 18531
9847 1 38 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.124 0.276 18531
9848 1 38 . 1 1 41 41 GLY H H 41 7.910 7.910 8.484 -0.574 18531
9849 1 38 . 1 1 42 42 VAL N N 42 120.300 120.300 122.580 -2.280 18531
9850 1 38 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.487 -0.107 18531
9851 1 38 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.697 0.403 18531
9852 1 38 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.935 0.465 18531
9853 1 38 . 1 1 42 42 VAL H H 42 8.250 8.250 8.190 0.060 18531
9854 1 38 . 1 1 43 43 TRP N N 43 130.700 130.700 129.031 1.669 18531
9855 1 38 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.718 -0.358 18531
9856 1 38 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.734 1.866 18531
9857 1 38 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.133 -1.933 18531
9858 1 38 . 1 1 43 43 TRP H H 43 9.360 9.360 8.570 0.790 18531
9859 1 38 . 1 1 44 44 THR N N 44 114.500 114.500 112.769 1.731 18531
9860 1 38 . 1 1 44 44 THR HA H 44 4.830 4.830 4.806 0.024 18531
9861 1 38 . 1 1 44 44 THR CA C 44 60.300 60.300 60.496 -0.196 18531
9862 1 38 . 1 1 44 44 THR CB C 44 72.100 72.100 71.570 0.530 18531
9863 1 38 . 1 1 44 44 THR H H 44 9.400 9.400 8.824 0.576 18531
9864 1 38 . 1 1 45 45 TYR N N 45 120.100 120.100 122.141 -2.041 18531
9865 1 38 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.633 0.337 18531
9866 1 38 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.444 -0.445 18531
9867 1 38 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.911 -0.311 18531
9868 1 38 . 1 1 45 45 TYR H H 45 8.580 8.580 8.483 0.097 18531
9869 1 38 . 1 1 46 46 ASP N N 46 128.300 128.300 127.966 0.334 18531
9870 1 38 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.528 0.052 18531
9871 1 38 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.899 0.001 18531
9872 1 38 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.882 1.218 18531
9873 1 38 . 1 1 46 46 ASP H H 46 7.580 7.580 7.860 -0.280 18531
9874 1 38 . 1 1 47 47 ASP N N 47 124.800 124.800 125.649 -0.849 18531
9875 1 38 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.227 -0.117 18531
9876 1 38 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.364 0.137 18531
9877 1 38 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.503 1.597 18531
9878 1 38 . 1 1 47 47 ASP H H 47 8.590 8.590 7.989 0.601 18531
9879 1 38 . 1 1 48 48 ALA N N 48 119.700 119.700 122.519 -2.819 18531
9880 1 38 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.042 0.048 18531
9881 1 38 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.503 0.497 18531
9882 1 38 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.750 -0.450 18531
9883 1 38 . 1 1 48 48 ALA H H 48 8.340 8.340 7.668 0.672 18531
9884 1 38 . 1 1 49 49 THR N N 49 103.200 103.200 106.870 -3.670 18531
9885 1 38 . 1 1 49 49 THR HA H 49 4.390 4.390 4.534 -0.144 18531
9886 1 38 . 1 1 49 49 THR CA C 49 60.200 60.200 60.515 -0.315 18531
9887 1 38 . 1 1 49 49 THR CB C 49 70.000 70.000 69.430 0.570 18531
9888 1 38 . 1 1 49 49 THR H H 49 7.000 7.000 7.708 -0.708 18531
9889 1 38 . 1 1 50 50 LYS N N 50 123.100 123.100 119.957 3.143 18531
9890 1 38 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.969 0.221 18531
9891 1 38 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.551 -0.951 18531
9892 1 38 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.896 -1.296 18531
9893 1 38 . 1 1 50 50 LYS H H 50 7.860 7.860 7.817 0.043 18531
9894 1 38 . 1 1 51 51 THR N N 51 111.200 111.200 114.012 -2.812 18531
9895 1 38 . 1 1 51 51 THR HA H 51 5.490 5.490 5.246 0.244 18531
9896 1 38 . 1 1 51 51 THR CA C 51 62.300 62.300 61.789 0.511 18531
9897 1 38 . 1 1 51 51 THR CB C 51 72.100 72.100 71.916 0.184 18531
9898 1 38 . 1 1 51 51 THR H H 51 7.390 7.390 7.279 0.111 18531
9899 1 38 . 1 1 52 52 PHE N N 52 131.000 131.000 125.010 5.990 18531
9900 1 38 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.034 0.596 18531
9901 1 38 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.298 1.002 18531
9902 1 38 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.513 1.087 18531
9903 1 38 . 1 1 52 52 PHE H H 52 10.390 10.390 9.217 1.173 18531
9904 1 38 . 1 1 53 53 THR N N 53 117.400 117.400 115.247 2.153 18531
9905 1 38 . 1 1 53 53 THR HA H 53 5.270 5.270 4.465 0.805 18531
9906 1 38 . 1 1 53 53 THR CA C 53 61.200 61.200 61.820 -0.620 18531
9907 1 38 . 1 1 53 53 THR CB C 53 71.000 71.000 70.820 0.179 18531
9908 1 38 . 1 1 53 53 THR H H 53 9.180 9.180 8.456 0.724 18531
9909 1 38 . 1 1 54 54 VAL N N 54 123.000 123.000 126.611 -3.611 18531
9910 1 38 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.025 0.435 18531
9911 1 38 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.933 -0.833 18531
9912 1 38 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.328 -1.028 18531
9913 1 38 . 1 1 54 54 VAL H H 54 8.280 8.280 7.672 0.608 18531
9914 1 38 . 1 1 55 55 THR N N 55 123.900 123.900 122.869 1.031 18531
9915 1 38 . 1 1 55 55 THR HA H 55 4.700 4.700 4.707 -0.007 18531
9916 1 38 . 1 1 55 55 THR CA C 55 61.200 61.200 59.760 1.440 18531
9917 1 38 . 1 1 55 55 THR CB C 55 70.700 70.700 70.673 0.027 18531
9918 1 38 . 1 1 55 55 THR H H 55 8.320 8.320 7.895 0.425 18531
9919 1 39 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.760 0.290 18531
9920 1 39 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.287 0.313 18531
9921 1 39 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.096 -0.396 18531
9922 1 39 . 1 1 2 2 GLN H H 2 8.410 8.410 8.287 0.123 18531
9923 1 39 . 1 1 3 3 TYR N N 3 124.000 124.000 123.945 0.055 18531
9924 1 39 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.886 0.474 18531
9925 1 39 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.543 -0.443 18531
9926 1 39 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.544 3.056 18531
9927 1 39 . 1 1 3 3 TYR H H 3 9.070 9.070 9.016 0.054 18531
9928 1 39 . 1 1 4 4 LYS N N 4 122.500 122.500 123.447 -0.947 18531
9929 1 39 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.774 0.446 18531
9930 1 39 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.893 0.107 18531
9931 1 39 . 1 1 4 4 LYS CB C 4 36.000 36.000 33.862 2.138 18531
9932 1 39 . 1 1 4 4 LYS H H 4 9.100 9.100 8.872 0.228 18531
9933 1 39 . 1 1 5 5 LEU N N 5 126.400 126.400 130.222 -3.822 18531
9934 1 39 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.358 -0.388 18531
9935 1 39 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.620 -0.820 18531
9936 1 39 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.787 -2.187 18531
9937 1 39 . 1 1 5 5 LEU H H 5 8.620 8.620 8.894 -0.274 18531
9938 1 39 . 1 1 6 6 VAL N N 6 127.000 127.000 128.244 -1.244 18531
9939 1 39 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.317 -0.157 18531
9940 1 39 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.391 0.909 18531
9941 1 39 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.791 -0.091 18531
9942 1 39 . 1 1 6 6 VAL H H 6 9.190 9.190 9.237 -0.047 18531
9943 1 39 . 1 1 7 7 ILE N N 7 125.400 125.400 128.936 -3.536 18531
9944 1 39 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.296 -0.206 18531
9945 1 39 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.774 -0.074 18531
9946 1 39 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.807 0.193 18531
9947 1 39 . 1 1 7 7 ILE H H 7 8.800 8.800 7.970 0.830 18531
9948 1 39 . 1 1 8 8 ASN N N 8 128.900 128.900 126.822 2.078 18531
9949 1 39 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.028 0.252 18531
9950 1 39 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.359 -1.559 18531
9951 1 39 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.395 -1.295 18531
9952 1 39 . 1 1 8 8 ASN H H 8 8.990 8.990 8.833 0.157 18531
9953 1 39 . 1 1 9 9 GLY N N 9 110.200 110.200 108.878 1.322 18531
9954 1 39 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.167 0.533 18531
9955 1 39 . 1 1 9 9 GLY H H 9 7.920 7.920 8.391 -0.471 18531
9956 1 39 . 1 1 10 10 LYS N N 10 120.700 120.700 122.161 -1.461 18531
9957 1 39 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.015 0.045 18531
9958 1 39 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.391 -0.191 18531
9959 1 39 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.271 0.629 18531
9960 1 39 . 1 1 10 10 LYS H H 10 9.520 9.520 8.766 0.754 18531
9961 1 39 . 1 1 11 11 THR N N 11 108.900 108.900 109.217 -0.317 18531
9962 1 39 . 1 1 11 11 THR HA H 11 4.360 4.360 4.348 0.012 18531
9963 1 39 . 1 1 11 11 THR CA C 11 62.000 62.000 63.111 -1.111 18531
9964 1 39 . 1 1 11 11 THR CB C 11 69.800 69.800 68.945 0.855 18531
9965 1 39 . 1 1 11 11 THR H H 11 8.790 8.790 7.728 1.062 18531
9966 1 39 . 1 1 12 12 LEU N N 12 125.700 125.700 123.792 1.908 18531
9967 1 39 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.593 -0.153 18531
9968 1 39 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.195 0.805 18531
9969 1 39 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.635 -0.335 18531
9970 1 39 . 1 1 12 12 LEU H H 12 7.580 7.580 7.755 -0.175 18531
9971 1 39 . 1 1 13 13 LYS N N 13 123.500 123.500 126.048 -2.548 18531
9972 1 39 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.809 0.311 18531
9973 1 39 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.540 -1.640 18531
9974 1 39 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.513 0.287 18531
9975 1 39 . 1 1 13 13 LYS H H 13 8.140 8.140 8.580 -0.440 18531
9976 1 39 . 1 1 14 14 GLY N N 14 109.100 109.100 111.763 -2.663 18531
9977 1 39 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.014 0.186 18531
9978 1 39 . 1 1 14 14 GLY H H 14 8.340 8.340 8.314 0.026 18531
9979 1 39 . 1 1 15 15 GLU N N 15 118.200 118.200 118.472 -0.272 18531
9980 1 39 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.156 0.444 18531
9981 1 39 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.876 -1.376 18531
9982 1 39 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.186 0.614 18531
9983 1 39 . 1 1 15 15 GLU H H 15 8.390 8.390 8.493 -0.103 18531
9984 1 39 . 1 1 16 16 THR N N 16 115.600 115.600 113.522 2.078 18531
9985 1 39 . 1 1 16 16 THR HA H 16 4.730 4.730 4.592 0.138 18531
9986 1 39 . 1 1 16 16 THR CA C 16 60.600 60.600 61.751 -1.151 18531
9987 1 39 . 1 1 16 16 THR CB C 16 69.500 69.500 70.320 -0.820 18531
9988 1 39 . 1 1 16 16 THR H H 16 8.820 8.820 8.440 0.380 18531
9989 1 39 . 1 1 17 17 THR N N 17 111.800 111.800 114.896 -3.096 18531
9990 1 39 . 1 1 17 17 THR HA H 17 5.790 5.790 5.282 0.508 18531
9991 1 39 . 1 1 17 17 THR CA C 17 59.800 59.800 60.762 -0.962 18531
9992 1 39 . 1 1 17 17 THR CB C 17 73.100 73.100 72.007 1.093 18531
9993 1 39 . 1 1 17 17 THR H H 17 8.140 8.140 8.304 -0.164 18531
9994 1 39 . 1 1 18 18 THR N N 18 115.100 115.100 114.677 0.423 18531
9995 1 39 . 1 1 18 18 THR HA H 18 4.640 4.640 4.523 0.117 18531
9996 1 39 . 1 1 18 18 THR CA C 18 61.900 61.900 61.126 0.774 18531
9997 1 39 . 1 1 18 18 THR CB C 18 70.000 70.000 69.474 0.526 18531
9998 1 39 . 1 1 18 18 THR H H 18 8.930 8.930 8.422 0.508 18531
9999 1 39 . 1 1 19 19 LYS N N 19 124.300 124.300 127.582 -3.282 18531
10000 1 39 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.973 0.357 18531
10001 1 39 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.403 -0.403 18531
10002 1 39 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.786 1.014 18531
10003 1 39 . 1 1 19 19 LYS H H 19 7.950 7.950 8.309 -0.359 18531
10004 1 39 . 1 1 20 20 ALA N N 20 124.600 124.600 128.412 -3.812 18531
10005 1 39 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.586 0.194 18531
10006 1 39 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.846 0.054 18531
10007 1 39 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.359 2.441 18531
10008 1 39 . 1 1 20 20 ALA H H 20 9.110 9.110 8.231 0.879 18531
10009 1 39 . 1 1 21 21 VAL N N 21 115.300 115.300 115.554 -0.254 18531
10010 1 39 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.802 0.308 18531
10011 1 39 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.262 -0.962 18531
10012 1 39 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.654 0.546 18531
10013 1 39 . 1 1 21 21 VAL H H 21 8.480 8.480 8.508 -0.028 18531
10014 1 39 . 1 1 22 22 ASP N N 22 115.200 115.200 114.404 0.796 18531
10015 1 39 . 1 1 22 22 ASP HA H 22 4.710 4.710 5.015 -0.305 18531
10016 1 39 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.730 -0.330 18531
10017 1 39 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.040 0.160 18531
10018 1 39 . 1 1 22 22 ASP H H 22 7.310 7.310 7.558 -0.248 18531
10019 1 39 . 1 1 23 23 ALA N N 23 121.000 121.000 121.778 -0.778 18531
10020 1 39 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.771 -0.431 18531
10021 1 39 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.008 -0.108 18531
10022 1 39 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.443 -0.943 18531
10023 1 39 . 1 1 23 23 ALA H H 23 8.370 8.370 8.693 -0.323 18531
10024 1 39 . 1 1 24 24 GLU N N 24 118.900 118.900 119.179 -0.279 18531
10025 1 39 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.916 -0.056 18531
10026 1 39 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.017 0.683 18531
10027 1 39 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.261 0.840 18531
10028 1 39 . 1 1 24 24 GLU H H 24 8.410 8.410 8.804 -0.394 18531
10029 1 39 . 1 1 25 25 THR N N 25 117.400 117.400 116.421 0.979 18531
10030 1 39 . 1 1 25 25 THR HA H 25 3.670 3.670 4.070 -0.400 18531
10031 1 39 . 1 1 25 25 THR CA C 25 66.800 66.800 65.337 1.463 18531
10032 1 39 . 1 1 25 25 THR CB C 25 68.000 68.000 68.858 -0.858 18531
10033 1 39 . 1 1 25 25 THR H H 25 8.380 8.380 7.557 0.823 18531
10034 1 39 . 1 1 26 26 ALA N N 26 125.100 125.100 124.360 0.740 18531
10035 1 39 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.638 -0.448 18531
10036 1 39 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.598 0.402 18531
10037 1 39 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.532 -0.232 18531
10038 1 39 . 1 1 26 26 ALA H H 26 7.220 7.220 7.440 -0.220 18531
10039 1 39 . 1 1 27 27 GLU N N 27 117.400 117.400 118.083 -0.683 18531
10040 1 39 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.840 -1.250 18531
10041 1 39 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.863 -0.163 18531
10042 1 39 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.428 -0.228 18531
10043 1 39 . 1 1 27 27 GLU H H 27 8.370 8.370 8.519 -0.149 18531
10044 1 39 . 1 1 28 28 LYS N N 28 116.300 116.300 118.391 -2.091 18531
10045 1 39 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.977 -0.307 18531
10046 1 39 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.075 0.525 18531
10047 1 39 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.616 0.584 18531
10048 1 39 . 1 1 28 28 LYS H H 28 7.170 7.170 7.559 -0.389 18531
10049 1 39 . 1 1 29 29 ALA N N 29 122.000 122.000 121.363 0.637 18531
10050 1 39 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.132 -0.042 18531
10051 1 39 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.402 0.298 18531
10052 1 39 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.162 -0.662 18531
10053 1 39 . 1 1 29 29 ALA H H 29 7.200 7.200 7.132 0.068 18531
10054 1 39 . 1 1 30 30 PHE N N 30 119.600 119.600 118.550 1.050 18531
10055 1 39 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.267 0.513 18531
10056 1 39 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.420 -3.820 18531
10057 1 39 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.562 -1.162 18531
10058 1 39 . 1 1 30 30 PHE H H 30 8.610 8.610 8.230 0.380 18531
10059 1 39 . 1 1 31 31 LYS N N 31 122.800 122.800 118.853 3.947 18531
10060 1 39 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.954 0.136 18531
10061 1 39 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.482 0.218 18531
10062 1 39 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.570 0.030 18531
10063 1 39 . 1 1 31 31 LYS H H 31 9.030 9.030 8.661 0.369 18531
10064 1 39 . 1 1 32 32 GLN N N 32 119.600 119.600 118.204 1.396 18531
10065 1 39 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.043 -0.013 18531
10066 1 39 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.305 -0.605 18531
10067 1 39 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.395 -0.295 18531
10068 1 39 . 1 1 32 32 GLN H H 32 7.510 7.510 7.811 -0.301 18531
10069 1 39 . 1 1 33 33 TYR N N 33 120.400 120.400 121.179 -0.779 18531
10070 1 39 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.304 -0.054 18531
10071 1 39 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.033 0.767 18531
10072 1 39 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.329 0.371 18531
10073 1 39 . 1 1 33 33 TYR H H 33 8.080 8.080 7.893 0.187 18531
10074 1 39 . 1 1 34 34 ALA N N 34 122.300 122.300 120.856 1.444 18531
10075 1 39 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.863 -0.083 18531
10076 1 39 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.386 0.714 18531
10077 1 39 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.300 -0.600 18531
10078 1 39 . 1 1 34 34 ALA H H 34 9.210 9.210 8.289 0.921 18531
10079 1 39 . 1 1 35 35 ASN N N 35 117.700 117.700 117.298 0.402 18531
10080 1 39 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.511 -0.051 18531
10081 1 39 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.944 1.056 18531
10082 1 39 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.067 0.933 18531
10083 1 39 . 1 1 35 35 ASN H H 35 8.390 8.390 8.333 0.057 18531
10084 1 39 . 1 1 36 36 ASP N N 36 121.100 121.100 120.594 0.506 18531
10085 1 39 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.395 -0.035 18531
10086 1 39 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.711 -0.011 18531
10087 1 39 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.057 -0.057 18531
10088 1 39 . 1 1 36 36 ASP H H 36 8.830 8.830 8.266 0.564 18531
10089 1 39 . 1 1 37 37 ASN N N 37 115.200 115.200 114.835 0.365 18531
10090 1 39 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.705 -0.095 18531
10091 1 39 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.438 0.262 18531
10092 1 39 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.187 0.813 18531
10093 1 39 . 1 1 37 37 ASN H H 37 7.390 7.390 7.858 -0.468 18531
10094 1 39 . 1 1 38 38 GLY N N 38 108.200 108.200 107.421 0.779 18531
10095 1 39 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.631 0.769 18531
10096 1 39 . 1 1 38 38 GLY H H 38 7.800 7.800 7.937 -0.137 18531
10097 1 39 . 1 1 39 39 VAL N N 39 120.800 120.800 120.510 0.290 18531
10098 1 39 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.306 -0.166 18531
10099 1 39 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.769 -0.069 18531
10100 1 39 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.611 0.689 18531
10101 1 39 . 1 1 39 39 VAL H H 39 8.120 8.120 8.093 0.027 18531
10102 1 39 . 1 1 40 40 ASP N N 40 128.000 128.000 128.543 -0.543 18531
10103 1 39 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.049 -0.159 18531
10104 1 39 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.800 0.000 18531
10105 1 39 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.820 -1.720 18531
10106 1 39 . 1 1 40 40 ASP H H 40 8.770 8.770 8.120 0.650 18531
10107 1 39 . 1 1 41 41 GLY N N 41 107.100 107.100 108.908 -1.808 18531
10108 1 39 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.535 -0.135 18531
10109 1 39 . 1 1 41 41 GLY H H 41 7.910 7.910 8.346 -0.436 18531
10110 1 39 . 1 1 42 42 VAL N N 42 120.300 120.300 122.705 -2.405 18531
10111 1 39 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.541 -0.161 18531
10112 1 39 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.352 0.748 18531
10113 1 39 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.770 0.630 18531
10114 1 39 . 1 1 42 42 VAL H H 42 8.250 8.250 8.165 0.085 18531
10115 1 39 . 1 1 43 43 TRP N N 43 130.700 130.700 127.995 2.705 18531
10116 1 39 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.445 -0.085 18531
10117 1 39 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.519 2.081 18531
10118 1 39 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.171 -1.971 18531
10119 1 39 . 1 1 43 43 TRP H H 43 9.360 9.360 8.656 0.704 18531
10120 1 39 . 1 1 44 44 THR N N 44 114.500 114.500 117.285 -2.785 18531
10121 1 39 . 1 1 44 44 THR HA H 44 4.830 4.830 4.597 0.233 18531
10122 1 39 . 1 1 44 44 THR CA C 44 60.300 60.300 61.624 -1.324 18531
10123 1 39 . 1 1 44 44 THR CB C 44 72.100 72.100 70.430 1.670 18531
10124 1 39 . 1 1 44 44 THR H H 44 9.400 9.400 8.556 0.844 18531
10125 1 39 . 1 1 45 45 TYR N N 45 120.100 120.100 128.347 -8.247 18531
10126 1 39 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.542 0.428 18531
10127 1 39 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.296 1.704 18531
10128 1 39 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.785 1.815 18531
10129 1 39 . 1 1 45 45 TYR H H 45 8.580 8.580 8.682 -0.102 18531
10130 1 39 . 1 1 46 46 ASP N N 46 128.300 128.300 129.424 -1.124 18531
10131 1 39 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.534 0.046 18531
10132 1 39 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.968 -0.068 18531
10133 1 39 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.432 1.668 18531
10134 1 39 . 1 1 46 46 ASP H H 46 7.580 7.580 8.054 -0.474 18531
10135 1 39 . 1 1 47 47 ASP N N 47 124.800 124.800 124.906 -0.106 18531
10136 1 39 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.311 -0.201 18531
10137 1 39 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.910 -0.410 18531
10138 1 39 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.335 1.765 18531
10139 1 39 . 1 1 47 47 ASP H H 47 8.590 8.590 8.114 0.476 18531
10140 1 39 . 1 1 48 48 ALA N N 48 119.700 119.700 122.471 -2.771 18531
10141 1 39 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.071 0.019 18531
10142 1 39 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.291 0.709 18531
10143 1 39 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.976 -0.676 18531
10144 1 39 . 1 1 48 48 ALA H H 48 8.340 8.340 7.788 0.552 18531
10145 1 39 . 1 1 49 49 THR N N 49 103.200 103.200 110.393 -7.193 18531
10146 1 39 . 1 1 49 49 THR HA H 49 4.390 4.390 4.465 -0.075 18531
10147 1 39 . 1 1 49 49 THR CA C 49 60.200 60.200 61.159 -0.959 18531
10148 1 39 . 1 1 49 49 THR CB C 49 70.000 70.000 68.582 1.418 18531
10149 1 39 . 1 1 49 49 THR H H 49 7.000 7.000 7.922 -0.922 18531
10150 1 39 . 1 1 50 50 LYS N N 50 123.100 123.100 121.882 1.218 18531
10151 1 39 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.050 0.140 18531
10152 1 39 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.721 -1.121 18531
10153 1 39 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.584 -1.984 18531
10154 1 39 . 1 1 50 50 LYS H H 50 7.860 7.860 7.690 0.170 18531
10155 1 39 . 1 1 51 51 THR N N 51 111.200 111.200 114.774 -3.574 18531
10156 1 39 . 1 1 51 51 THR HA H 51 5.490 5.490 5.211 0.279 18531
10157 1 39 . 1 1 51 51 THR CA C 51 62.300 62.300 62.468 -0.168 18531
10158 1 39 . 1 1 51 51 THR CB C 51 72.100 72.100 70.491 1.609 18531
10159 1 39 . 1 1 51 51 THR H H 51 7.390 7.390 7.464 -0.074 18531
10160 1 39 . 1 1 52 52 PHE N N 52 131.000 131.000 126.931 4.069 18531
10161 1 39 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.555 0.075 18531
10162 1 39 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.318 0.982 18531
10163 1 39 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.707 -0.107 18531
10164 1 39 . 1 1 52 52 PHE H H 52 10.390 10.390 9.602 0.788 18531
10165 1 39 . 1 1 53 53 THR N N 53 117.400 117.400 119.482 -2.082 18531
10166 1 39 . 1 1 53 53 THR HA H 53 5.270 5.270 5.156 0.114 18531
10167 1 39 . 1 1 53 53 THR CA C 53 61.200 61.200 60.733 0.467 18531
10168 1 39 . 1 1 53 53 THR CB C 53 71.000 71.000 70.754 0.246 18531
10169 1 39 . 1 1 53 53 THR H H 53 9.180 9.180 8.624 0.556 18531
10170 1 39 . 1 1 54 54 VAL N N 54 123.000 123.000 123.280 -0.280 18531
10171 1 39 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.773 0.687 18531
10172 1 39 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.926 -2.826 18531
10173 1 39 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.648 -1.348 18531
10174 1 39 . 1 1 54 54 VAL H H 54 8.280 8.280 8.297 -0.017 18531
10175 1 39 . 1 1 55 55 THR N N 55 123.900 123.900 121.157 2.743 18531
10176 1 39 . 1 1 55 55 THR HA H 55 4.700 4.700 4.718 -0.018 18531
10177 1 39 . 1 1 55 55 THR CA C 55 61.200 61.200 59.950 1.250 18531
10178 1 39 . 1 1 55 55 THR CB C 55 70.700 70.700 70.720 -0.020 18531
10179 1 39 . 1 1 55 55 THR H H 55 8.320 8.320 7.858 0.462 18531
10180 1 40 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.537 0.513 18531
10181 1 40 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.631 0.969 18531
10182 1 40 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.095 0.605 18531
10183 1 40 . 1 1 2 2 GLN H H 2 8.410 8.410 8.109 0.301 18531
10184 1 40 . 1 1 3 3 TYR N N 3 124.000 124.000 123.370 0.630 18531
10185 1 40 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.175 0.185 18531
10186 1 40 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.019 0.081 18531
10187 1 40 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.229 1.371 18531
10188 1 40 . 1 1 3 3 TYR H H 3 9.070 9.070 9.058 0.012 18531
10189 1 40 . 1 1 4 4 LYS N N 4 122.500 122.500 121.622 0.878 18531
10190 1 40 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.211 0.009 18531
10191 1 40 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.307 -0.307 18531
10192 1 40 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.799 -0.799 18531
10193 1 40 . 1 1 4 4 LYS H H 4 9.100 9.100 8.571 0.529 18531
10194 1 40 . 1 1 5 5 LEU N N 5 126.400 126.400 125.374 1.026 18531
10195 1 40 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.747 0.223 18531
10196 1 40 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.274 -0.474 18531
10197 1 40 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.670 -4.070 18531
10198 1 40 . 1 1 5 5 LEU H H 5 8.620 8.620 9.141 -0.521 18531
10199 1 40 . 1 1 6 6 VAL N N 6 127.000 127.000 124.870 2.130 18531
10200 1 40 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.316 -0.156 18531
10201 1 40 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.642 0.659 18531
10202 1 40 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.130 -0.430 18531
10203 1 40 . 1 1 6 6 VAL H H 6 9.190 9.190 8.161 1.029 18531
10204 1 40 . 1 1 7 7 ILE N N 7 125.400 125.400 129.306 -3.906 18531
10205 1 40 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.053 0.037 18531
10206 1 40 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.321 -0.621 18531
10207 1 40 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.089 0.911 18531
10208 1 40 . 1 1 7 7 ILE H H 7 8.800 8.800 8.816 -0.016 18531
10209 1 40 . 1 1 8 8 ASN N N 8 128.900 128.900 127.559 1.341 18531
10210 1 40 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.000 0.280 18531
10211 1 40 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.319 -1.519 18531
10212 1 40 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.877 -0.777 18531
10213 1 40 . 1 1 8 8 ASN H H 8 8.990 8.990 8.025 0.965 18531
10214 1 40 . 1 1 9 9 GLY N N 9 110.200 110.200 107.420 2.780 18531
10215 1 40 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.245 0.455 18531
10216 1 40 . 1 1 9 9 GLY H H 9 7.920 7.920 8.321 -0.401 18531
10217 1 40 . 1 1 10 10 LYS N N 10 120.700 120.700 122.967 -2.267 18531
10218 1 40 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.071 -0.011 18531
10219 1 40 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.841 0.359 18531
10220 1 40 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.587 0.313 18531
10221 1 40 . 1 1 10 10 LYS H H 10 9.520 9.520 8.774 0.746 18531
10222 1 40 . 1 1 11 11 THR N N 11 108.900 108.900 107.910 0.990 18531
10223 1 40 . 1 1 11 11 THR HA H 11 4.360 4.360 4.392 -0.032 18531
10224 1 40 . 1 1 11 11 THR CA C 11 62.000 62.000 62.366 -0.366 18531
10225 1 40 . 1 1 11 11 THR CB C 11 69.800 69.800 70.121 -0.321 18531
10226 1 40 . 1 1 11 11 THR H H 11 8.790 8.790 7.632 1.158 18531
10227 1 40 . 1 1 12 12 LEU N N 12 125.700 125.700 123.987 1.713 18531
10228 1 40 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.593 -0.153 18531
10229 1 40 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.249 0.751 18531
10230 1 40 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.408 -0.109 18531
10231 1 40 . 1 1 12 12 LEU H H 12 7.580 7.580 7.978 -0.398 18531
10232 1 40 . 1 1 13 13 LYS N N 13 123.500 123.500 126.182 -2.682 18531
10233 1 40 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.092 0.028 18531
10234 1 40 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.283 -1.383 18531
10235 1 40 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.063 -0.263 18531
10236 1 40 . 1 1 13 13 LYS H H 13 8.140 8.140 8.536 -0.396 18531
10237 1 40 . 1 1 14 14 GLY N N 14 109.100 109.100 112.152 -3.052 18531
10238 1 40 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.846 -0.646 18531
10239 1 40 . 1 1 14 14 GLY H H 14 8.340 8.340 8.796 -0.456 18531
10240 1 40 . 1 1 15 15 GLU N N 15 118.200 118.200 118.344 -0.144 18531
10241 1 40 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.106 0.494 18531
10242 1 40 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.528 -1.028 18531
10243 1 40 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.524 0.276 18531
10244 1 40 . 1 1 15 15 GLU H H 15 8.390 8.390 8.528 -0.138 18531
10245 1 40 . 1 1 16 16 THR N N 16 115.600 115.600 113.877 1.723 18531
10246 1 40 . 1 1 16 16 THR HA H 16 4.730 4.730 4.681 0.049 18531
10247 1 40 . 1 1 16 16 THR CA C 16 60.600 60.600 62.053 -1.453 18531
10248 1 40 . 1 1 16 16 THR CB C 16 69.500 69.500 70.492 -0.992 18531
10249 1 40 . 1 1 16 16 THR H H 16 8.820 8.820 8.439 0.381 18531
10250 1 40 . 1 1 17 17 THR N N 17 111.800 111.800 114.258 -2.458 18531
10251 1 40 . 1 1 17 17 THR HA H 17 5.790 5.790 5.322 0.468 18531
10252 1 40 . 1 1 17 17 THR CA C 17 59.800 59.800 60.696 -0.896 18531
10253 1 40 . 1 1 17 17 THR CB C 17 73.100 73.100 72.442 0.658 18531
10254 1 40 . 1 1 17 17 THR H H 17 8.140 8.140 8.170 -0.030 18531
10255 1 40 . 1 1 18 18 THR N N 18 115.100 115.100 117.060 -1.960 18531
10256 1 40 . 1 1 18 18 THR HA H 18 4.640 4.640 4.410 0.230 18531
10257 1 40 . 1 1 18 18 THR CA C 18 61.900 61.900 62.176 -0.276 18531
10258 1 40 . 1 1 18 18 THR CB C 18 70.000 70.000 71.606 -1.606 18531
10259 1 40 . 1 1 18 18 THR H H 18 8.930 8.930 8.994 -0.064 18531
10260 1 40 . 1 1 19 19 LYS N N 19 124.300 124.300 128.668 -4.368 18531
10261 1 40 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.956 0.374 18531
10262 1 40 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.449 -0.449 18531
10263 1 40 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.413 0.387 18531
10264 1 40 . 1 1 19 19 LYS H H 19 7.950 7.950 8.582 -0.632 18531
10265 1 40 . 1 1 20 20 ALA N N 20 124.600 124.600 128.683 -4.083 18531
10266 1 40 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.659 0.121 18531
10267 1 40 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.125 -0.225 18531
10268 1 40 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.492 2.308 18531
10269 1 40 . 1 1 20 20 ALA H H 20 9.110 9.110 8.120 0.990 18531
10270 1 40 . 1 1 21 21 VAL N N 21 115.300 115.300 119.555 -4.255 18531
10271 1 40 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.874 0.236 18531
10272 1 40 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.064 -0.764 18531
10273 1 40 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.995 0.205 18531
10274 1 40 . 1 1 21 21 VAL H H 21 8.480 8.480 8.460 0.020 18531
10275 1 40 . 1 1 22 22 ASP N N 22 115.200 115.200 115.967 -0.767 18531
10276 1 40 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.913 -0.203 18531
10277 1 40 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.783 -0.383 18531
10278 1 40 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.751 -0.551 18531
10279 1 40 . 1 1 22 22 ASP H H 22 7.310 7.310 7.656 -0.346 18531
10280 1 40 . 1 1 23 23 ALA N N 23 121.000 121.000 123.494 -2.494 18531
10281 1 40 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.578 -0.238 18531
10282 1 40 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.079 -0.179 18531
10283 1 40 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.579 -1.079 18531
10284 1 40 . 1 1 23 23 ALA H H 23 8.370 8.370 8.608 -0.238 18531
10285 1 40 . 1 1 24 24 GLU N N 24 118.900 118.900 116.127 2.773 18531
10286 1 40 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.948 -0.088 18531
10287 1 40 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.040 0.660 18531
10288 1 40 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.875 0.225 18531
10289 1 40 . 1 1 24 24 GLU H H 24 8.410 8.410 8.151 0.259 18531
10290 1 40 . 1 1 25 25 THR N N 25 117.400 117.400 115.735 1.665 18531
10291 1 40 . 1 1 25 25 THR HA H 25 3.670 3.670 4.117 -0.447 18531
10292 1 40 . 1 1 25 25 THR CA C 25 66.800 66.800 65.737 1.063 18531
10293 1 40 . 1 1 25 25 THR CB C 25 68.000 68.000 68.231 -0.231 18531
10294 1 40 . 1 1 25 25 THR H H 25 8.380 8.380 7.854 0.526 18531
10295 1 40 . 1 1 26 26 ALA N N 26 125.100 125.100 123.996 1.104 18531
10296 1 40 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.945 -0.755 18531
10297 1 40 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.384 0.616 18531
10298 1 40 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.058 -0.758 18531
10299 1 40 . 1 1 26 26 ALA H H 26 7.220 7.220 7.332 -0.112 18531
10300 1 40 . 1 1 27 27 GLU N N 27 117.400 117.400 119.237 -1.837 18531
10301 1 40 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.654 -1.064 18531
10302 1 40 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.991 -0.291 18531
10303 1 40 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.152 0.048 18531
10304 1 40 . 1 1 27 27 GLU H H 27 8.370 8.370 7.879 0.491 18531
10305 1 40 . 1 1 28 28 LYS N N 28 116.300 116.300 117.908 -1.608 18531
10306 1 40 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.877 -0.207 18531
10307 1 40 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.413 0.188 18531
10308 1 40 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.083 0.117 18531
10309 1 40 . 1 1 28 28 LYS H H 28 7.170 7.170 7.627 -0.457 18531
10310 1 40 . 1 1 29 29 ALA N N 29 122.000 122.000 122.097 -0.097 18531
10311 1 40 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.194 -0.104 18531
10312 1 40 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.511 0.189 18531
10313 1 40 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.226 -0.726 18531
10314 1 40 . 1 1 29 29 ALA H H 29 7.200 7.200 7.470 -0.270 18531
10315 1 40 . 1 1 30 30 PHE N N 30 119.600 119.600 118.934 0.666 18531
10316 1 40 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.157 0.623 18531
10317 1 40 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.791 -4.191 18531
10318 1 40 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.457 -1.057 18531
10319 1 40 . 1 1 30 30 PHE H H 30 8.610 8.610 8.410 0.200 18531
10320 1 40 . 1 1 31 31 LYS N N 31 122.800 122.800 117.506 5.294 18531
10321 1 40 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.542 0.548 18531
10322 1 40 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.179 0.520 18531
10323 1 40 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.727 -0.127 18531
10324 1 40 . 1 1 31 31 LYS H H 31 9.030 9.030 8.322 0.708 18531
10325 1 40 . 1 1 32 32 GLN N N 32 119.600 119.600 119.258 0.342 18531
10326 1 40 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.025 0.005 18531
10327 1 40 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.923 -1.223 18531
10328 1 40 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.073 0.027 18531
10329 1 40 . 1 1 32 32 GLN H H 32 7.510 7.510 7.518 -0.008 18531
10330 1 40 . 1 1 33 33 TYR N N 33 120.400 120.400 118.250 2.150 18531
10331 1 40 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.325 -0.075 18531
10332 1 40 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.608 1.192 18531
10333 1 40 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.248 0.452 18531
10334 1 40 . 1 1 33 33 TYR H H 33 8.080 8.080 7.890 0.190 18531
10335 1 40 . 1 1 34 34 ALA N N 34 122.300 122.300 122.575 -0.275 18531
10336 1 40 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.107 -0.327 18531
10337 1 40 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.136 0.964 18531
10338 1 40 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.690 -0.990 18531
10339 1 40 . 1 1 34 34 ALA H H 34 9.210 9.210 8.034 1.176 18531
10340 1 40 . 1 1 35 35 ASN N N 35 117.700 117.700 117.442 0.258 18531
10341 1 40 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.458 0.002 18531
10342 1 40 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.864 1.136 18531
10343 1 40 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.039 0.961 18531
10344 1 40 . 1 1 35 35 ASN H H 35 8.390 8.390 8.156 0.234 18531
10345 1 40 . 1 1 36 36 ASP N N 36 121.100 121.100 120.704 0.396 18531
10346 1 40 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.418 -0.058 18531
10347 1 40 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.778 -0.078 18531
10348 1 40 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.127 -0.127 18531
10349 1 40 . 1 1 36 36 ASP H H 36 8.830 8.830 8.451 0.379 18531
10350 1 40 . 1 1 37 37 ASN N N 37 115.200 115.200 114.419 0.781 18531
10351 1 40 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.736 -0.126 18531
10352 1 40 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.178 0.522 18531
10353 1 40 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.364 0.636 18531
10354 1 40 . 1 1 37 37 ASN H H 37 7.390 7.390 7.483 -0.093 18531
10355 1 40 . 1 1 38 38 GLY N N 38 108.200 108.200 107.322 0.878 18531
10356 1 40 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.662 0.738 18531
10357 1 40 . 1 1 38 38 GLY H H 38 7.800 7.800 7.999 -0.199 18531
10358 1 40 . 1 1 39 39 VAL N N 39 120.800 120.800 122.319 -1.519 18531
10359 1 40 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.135 0.005 18531
10360 1 40 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.514 -0.813 18531
10361 1 40 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.361 1.939 18531
10362 1 40 . 1 1 39 39 VAL H H 39 8.120 8.120 7.935 0.185 18531
10363 1 40 . 1 1 40 40 ASP N N 40 128.000 128.000 127.549 0.451 18531
10364 1 40 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.092 -0.202 18531
10365 1 40 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.896 -0.096 18531
10366 1 40 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.654 -1.554 18531
10367 1 40 . 1 1 40 40 ASP H H 40 8.770 8.770 8.258 0.512 18531
10368 1 40 . 1 1 41 41 GLY N N 41 107.100 107.100 108.305 -1.205 18531
10369 1 40 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.308 0.092 18531
10370 1 40 . 1 1 41 41 GLY H H 41 7.910 7.910 8.322 -0.412 18531
10371 1 40 . 1 1 42 42 VAL N N 42 120.300 120.300 119.499 0.801 18531
10372 1 40 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.664 -0.284 18531
10373 1 40 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.813 0.287 18531
10374 1 40 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.995 0.405 18531
10375 1 40 . 1 1 42 42 VAL H H 42 8.250 8.250 8.135 0.115 18531
10376 1 40 . 1 1 43 43 TRP N N 43 130.700 130.700 126.884 3.816 18531
10377 1 40 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.760 -0.400 18531
10378 1 40 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.024 1.576 18531
10379 1 40 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.639 -2.439 18531
10380 1 40 . 1 1 43 43 TRP H H 43 9.360 9.360 8.487 0.873 18531
10381 1 40 . 1 1 44 44 THR N N 44 114.500 114.500 114.533 -0.033 18531
10382 1 40 . 1 1 44 44 THR HA H 44 4.830 4.830 4.750 0.080 18531
10383 1 40 . 1 1 44 44 THR CA C 44 60.300 60.300 61.024 -0.724 18531
10384 1 40 . 1 1 44 44 THR CB C 44 72.100 72.100 71.714 0.386 18531
10385 1 40 . 1 1 44 44 THR H H 44 9.400 9.400 8.558 0.842 18531
10386 1 40 . 1 1 45 45 TYR N N 45 120.100 120.100 124.327 -4.227 18531
10387 1 40 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.596 0.374 18531
10388 1 40 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.569 0.431 18531
10389 1 40 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.927 0.673 18531
10390 1 40 . 1 1 45 45 TYR H H 45 8.580 8.580 8.662 -0.082 18531
10391 1 40 . 1 1 46 46 ASP N N 46 128.300 128.300 129.023 -0.723 18531
10392 1 40 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.515 0.065 18531
10393 1 40 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.999 -0.099 18531
10394 1 40 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.629 1.471 18531
10395 1 40 . 1 1 46 46 ASP H H 46 7.580 7.580 7.890 -0.310 18531
10396 1 40 . 1 1 47 47 ASP N N 47 124.800 124.800 125.310 -0.510 18531
10397 1 40 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.329 -0.219 18531
10398 1 40 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.802 -0.302 18531
10399 1 40 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.306 1.794 18531
10400 1 40 . 1 1 47 47 ASP H H 47 8.590 8.590 8.088 0.502 18531
10401 1 40 . 1 1 48 48 ALA N N 48 119.700 119.700 122.294 -2.594 18531
10402 1 40 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.045 0.045 18531
10403 1 40 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.433 0.567 18531
10404 1 40 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.976 -0.676 18531
10405 1 40 . 1 1 48 48 ALA H H 48 8.340 8.340 7.977 0.363 18531
10406 1 40 . 1 1 49 49 THR N N 49 103.200 103.200 106.203 -3.003 18531
10407 1 40 . 1 1 49 49 THR HA H 49 4.390 4.390 4.487 -0.097 18531
10408 1 40 . 1 1 49 49 THR CA C 49 60.200 60.200 60.167 0.033 18531
10409 1 40 . 1 1 49 49 THR CB C 49 70.000 70.000 69.151 0.849 18531
10410 1 40 . 1 1 49 49 THR H H 49 7.000 7.000 7.816 -0.816 18531
10411 1 40 . 1 1 50 50 LYS N N 50 123.100 123.100 120.072 3.028 18531
10412 1 40 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.930 0.260 18531
10413 1 40 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.452 -0.852 18531
10414 1 40 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.255 -0.655 18531
10415 1 40 . 1 1 50 50 LYS H H 50 7.860 7.860 7.952 -0.092 18531
10416 1 40 . 1 1 51 51 THR N N 51 111.200 111.200 114.009 -2.809 18531
10417 1 40 . 1 1 51 51 THR HA H 51 5.490 5.490 5.120 0.370 18531
10418 1 40 . 1 1 51 51 THR CA C 51 62.300 62.300 61.787 0.513 18531
10419 1 40 . 1 1 51 51 THR CB C 51 72.100 72.100 72.346 -0.246 18531
10420 1 40 . 1 1 51 51 THR H H 51 7.390 7.390 7.260 0.130 18531
10421 1 40 . 1 1 52 52 PHE N N 52 131.000 131.000 125.426 5.574 18531
10422 1 40 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.525 0.105 18531
10423 1 40 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.689 1.611 18531
10424 1 40 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.954 0.646 18531
10425 1 40 . 1 1 52 52 PHE H H 52 10.390 10.390 8.636 1.754 18531
10426 1 40 . 1 1 53 53 THR N N 53 117.400 117.400 115.423 1.977 18531
10427 1 40 . 1 1 53 53 THR HA H 53 5.270 5.270 4.451 0.819 18531
10428 1 40 . 1 1 53 53 THR CA C 53 61.200 61.200 62.010 -0.810 18531
10429 1 40 . 1 1 53 53 THR CB C 53 71.000 71.000 70.812 0.188 18531
10430 1 40 . 1 1 53 53 THR H H 53 9.180 9.180 8.448 0.732 18531
10431 1 40 . 1 1 54 54 VAL N N 54 123.000 123.000 127.384 -4.384 18531
10432 1 40 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.866 0.594 18531
10433 1 40 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.166 -1.066 18531
10434 1 40 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.356 -1.056 18531
10435 1 40 . 1 1 54 54 VAL H H 54 8.280 8.280 7.649 0.631 18531
10436 1 40 . 1 1 55 55 THR N N 55 123.900 123.900 122.960 0.940 18531
10437 1 40 . 1 1 55 55 THR HA H 55 4.700 4.700 4.704 -0.004 18531
10438 1 40 . 1 1 55 55 THR CA C 55 61.200 61.200 60.090 1.109 18531
10439 1 40 . 1 1 55 55 THR CB C 55 70.700 70.700 70.982 -0.282 18531
10440 1 40 . 1 1 55 55 THR H H 55 8.320 8.320 7.745 0.575 18531
10441 1 41 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.192 -0.142 18531
10442 1 41 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.920 -0.320 18531
10443 1 41 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.778 -1.078 18531
10444 1 41 . 1 1 2 2 GLN H H 2 8.410 8.410 8.079 0.331 18531
10445 1 41 . 1 1 3 3 TYR N N 3 124.000 124.000 123.086 0.914 18531
10446 1 41 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.973 0.387 18531
10447 1 41 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.381 0.719 18531
10448 1 41 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.642 0.959 18531
10449 1 41 . 1 1 3 3 TYR H H 3 9.070 9.070 9.548 -0.478 18531
10450 1 41 . 1 1 4 4 LYS N N 4 122.500 122.500 122.558 -0.058 18531
10451 1 41 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.659 0.561 18531
10452 1 41 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.866 0.134 18531
10453 1 41 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.620 0.380 18531
10454 1 41 . 1 1 4 4 LYS H H 4 9.100 9.100 8.685 0.415 18531
10455 1 41 . 1 1 5 5 LEU N N 5 126.400 126.400 128.781 -2.381 18531
10456 1 41 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.833 0.137 18531
10457 1 41 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.318 -0.518 18531
10458 1 41 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.858 -0.258 18531
10459 1 41 . 1 1 5 5 LEU H H 5 8.620 8.620 8.446 0.174 18531
10460 1 41 . 1 1 6 6 VAL N N 6 127.000 127.000 128.935 -1.935 18531
10461 1 41 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.207 -0.047 18531
10462 1 41 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.786 0.514 18531
10463 1 41 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.427 0.273 18531
10464 1 41 . 1 1 6 6 VAL H H 6 9.190 9.190 9.144 0.046 18531
10465 1 41 . 1 1 7 7 ILE N N 7 125.400 125.400 128.214 -2.814 18531
10466 1 41 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.508 -0.418 18531
10467 1 41 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.301 0.399 18531
10468 1 41 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.935 -0.935 18531
10469 1 41 . 1 1 7 7 ILE H H 7 8.800 8.800 7.721 1.079 18531
10470 1 41 . 1 1 8 8 ASN N N 8 128.900 128.900 123.970 4.930 18531
10471 1 41 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.986 0.294 18531
10472 1 41 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.642 -1.842 18531
10473 1 41 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.957 -1.857 18531
10474 1 41 . 1 1 8 8 ASN H H 8 8.990 8.990 8.770 0.220 18531
10475 1 41 . 1 1 9 9 GLY N N 9 110.200 110.200 108.203 1.997 18531
10476 1 41 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.633 1.067 18531
10477 1 41 . 1 1 9 9 GLY H H 9 7.920 7.920 8.327 -0.407 18531
10478 1 41 . 1 1 10 10 LYS N N 10 120.700 120.700 120.559 0.141 18531
10479 1 41 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.254 -0.194 18531
10480 1 41 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.761 0.438 18531
10481 1 41 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.570 0.330 18531
10482 1 41 . 1 1 10 10 LYS H H 10 9.520 9.520 8.617 0.903 18531
10483 1 41 . 1 1 11 11 THR N N 11 108.900 108.900 111.266 -2.366 18531
10484 1 41 . 1 1 11 11 THR HA H 11 4.360 4.360 4.420 -0.060 18531
10485 1 41 . 1 1 11 11 THR CA C 11 62.000 62.000 61.607 0.393 18531
10486 1 41 . 1 1 11 11 THR CB C 11 69.800 69.800 69.696 0.104 18531
10487 1 41 . 1 1 11 11 THR H H 11 8.790 8.790 8.117 0.673 18531
10488 1 41 . 1 1 12 12 LEU N N 12 125.700 125.700 123.578 2.122 18531
10489 1 41 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.566 -0.126 18531
10490 1 41 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.507 -0.507 18531
10491 1 41 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.868 -1.568 18531
10492 1 41 . 1 1 12 12 LEU H H 12 7.580 7.580 7.522 0.058 18531
10493 1 41 . 1 1 13 13 LYS N N 13 123.500 123.500 124.269 -0.769 18531
10494 1 41 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.653 0.467 18531
10495 1 41 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.246 -2.346 18531
10496 1 41 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.333 1.467 18531
10497 1 41 . 1 1 13 13 LYS H H 13 8.140 8.140 8.533 -0.393 18531
10498 1 41 . 1 1 14 14 GLY N N 14 109.100 109.100 109.043 0.057 18531
10499 1 41 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.388 0.812 18531
10500 1 41 . 1 1 14 14 GLY H H 14 8.340 8.340 8.033 0.307 18531
10501 1 41 . 1 1 15 15 GLU N N 15 118.200 118.200 120.314 -2.114 18531
10502 1 41 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.138 0.462 18531
10503 1 41 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.458 -0.958 18531
10504 1 41 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.929 0.871 18531
10505 1 41 . 1 1 15 15 GLU H H 15 8.390 8.390 8.466 -0.076 18531
10506 1 41 . 1 1 16 16 THR N N 16 115.600 115.600 120.222 -4.622 18531
10507 1 41 . 1 1 16 16 THR HA H 16 4.730 4.730 4.549 0.181 18531
10508 1 41 . 1 1 16 16 THR CA C 16 60.600 60.600 61.518 -0.918 18531
10509 1 41 . 1 1 16 16 THR CB C 16 69.500 69.500 68.771 0.729 18531
10510 1 41 . 1 1 16 16 THR H H 16 8.820 8.820 8.784 0.036 18531
10511 1 41 . 1 1 17 17 THR N N 17 111.800 111.800 118.276 -6.476 18531
10512 1 41 . 1 1 17 17 THR HA H 17 5.790 5.790 5.280 0.510 18531
10513 1 41 . 1 1 17 17 THR CA C 17 59.800 59.800 60.379 -0.579 18531
10514 1 41 . 1 1 17 17 THR CB C 17 73.100 73.100 70.745 2.355 18531
10515 1 41 . 1 1 17 17 THR H H 17 8.140 8.140 8.578 -0.438 18531
10516 1 41 . 1 1 18 18 THR N N 18 115.100 115.100 117.579 -2.479 18531
10517 1 41 . 1 1 18 18 THR HA H 18 4.640 4.640 4.755 -0.115 18531
10518 1 41 . 1 1 18 18 THR CA C 18 61.900 61.900 60.877 1.023 18531
10519 1 41 . 1 1 18 18 THR CB C 18 70.000 70.000 69.900 0.100 18531
10520 1 41 . 1 1 18 18 THR H H 18 8.930 8.930 9.422 -0.492 18531
10521 1 41 . 1 1 19 19 LYS N N 19 124.300 124.300 119.072 5.228 18531
10522 1 41 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.908 0.422 18531
10523 1 41 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.328 -0.328 18531
10524 1 41 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.720 -0.920 18531
10525 1 41 . 1 1 19 19 LYS H H 19 7.950 7.950 8.315 -0.365 18531
10526 1 41 . 1 1 20 20 ALA N N 20 124.600 124.600 122.792 1.808 18531
10527 1 41 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.479 0.301 18531
10528 1 41 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.517 -0.618 18531
10529 1 41 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.582 2.218 18531
10530 1 41 . 1 1 20 20 ALA H H 20 9.110 9.110 7.947 1.163 18531
10531 1 41 . 1 1 21 21 VAL N N 21 115.300 115.300 116.554 -1.254 18531
10532 1 41 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.981 0.129 18531
10533 1 41 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.819 -1.519 18531
10534 1 41 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.596 0.604 18531
10535 1 41 . 1 1 21 21 VAL H H 21 8.480 8.480 8.284 0.196 18531
10536 1 41 . 1 1 22 22 ASP N N 22 115.200 115.200 114.382 0.818 18531
10537 1 41 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.877 -0.167 18531
10538 1 41 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.500 -0.100 18531
10539 1 41 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.378 -0.178 18531
10540 1 41 . 1 1 22 22 ASP H H 22 7.310 7.310 7.629 -0.319 18531
10541 1 41 . 1 1 23 23 ALA N N 23 121.000 121.000 122.922 -1.922 18531
10542 1 41 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.371 -0.031 18531
10543 1 41 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.260 -0.360 18531
10544 1 41 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.622 -1.122 18531
10545 1 41 . 1 1 23 23 ALA H H 23 8.370 8.370 8.725 -0.355 18531
10546 1 41 . 1 1 24 24 GLU N N 24 118.900 118.900 117.902 0.998 18531
10547 1 41 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.869 -0.009 18531
10548 1 41 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.325 0.375 18531
10549 1 41 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.027 0.073 18531
10550 1 41 . 1 1 24 24 GLU H H 24 8.410 8.410 8.584 -0.174 18531
10551 1 41 . 1 1 25 25 THR N N 25 117.400 117.400 114.977 2.423 18531
10552 1 41 . 1 1 25 25 THR HA H 25 3.670 3.670 4.042 -0.372 18531
10553 1 41 . 1 1 25 25 THR CA C 25 66.800 66.800 65.944 0.856 18531
10554 1 41 . 1 1 25 25 THR CB C 25 68.000 68.000 68.903 -0.904 18531
10555 1 41 . 1 1 25 25 THR H H 25 8.380 8.380 7.987 0.393 18531
10556 1 41 . 1 1 26 26 ALA N N 26 125.100 125.100 124.418 0.682 18531
10557 1 41 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.397 -0.207 18531
10558 1 41 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.639 0.361 18531
10559 1 41 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.267 0.033 18531
10560 1 41 . 1 1 26 26 ALA H H 26 7.220 7.220 7.388 -0.168 18531
10561 1 41 . 1 1 27 27 GLU N N 27 117.400 117.400 118.396 -0.996 18531
10562 1 41 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.782 -1.192 18531
10563 1 41 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.849 -0.149 18531
10564 1 41 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.398 -0.198 18531
10565 1 41 . 1 1 27 27 GLU H H 27 8.370 8.370 8.348 0.022 18531
10566 1 41 . 1 1 28 28 LYS N N 28 116.300 116.300 119.242 -2.942 18531
10567 1 41 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.813 -0.143 18531
10568 1 41 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.337 0.264 18531
10569 1 41 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.985 0.215 18531
10570 1 41 . 1 1 28 28 LYS H H 28 7.170 7.170 7.643 -0.473 18531
10571 1 41 . 1 1 29 29 ALA N N 29 122.000 122.000 122.163 -0.163 18531
10572 1 41 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.009 0.081 18531
10573 1 41 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.797 -0.097 18531
10574 1 41 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.010 -0.510 18531
10575 1 41 . 1 1 29 29 ALA H H 29 7.200 7.200 7.394 -0.194 18531
10576 1 41 . 1 1 30 30 PHE N N 30 119.600 119.600 117.143 2.457 18531
10577 1 41 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.344 0.436 18531
10578 1 41 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.716 -3.116 18531
10579 1 41 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.453 -1.053 18531
10580 1 41 . 1 1 30 30 PHE H H 30 8.610 8.610 7.895 0.715 18531
10581 1 41 . 1 1 31 31 LYS N N 31 122.800 122.800 120.088 2.712 18531
10582 1 41 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.171 -0.081 18531
10583 1 41 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.306 -0.606 18531
10584 1 41 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.710 -0.110 18531
10585 1 41 . 1 1 31 31 LYS H H 31 9.030 9.030 8.689 0.341 18531
10586 1 41 . 1 1 32 32 GLN N N 32 119.600 119.600 117.212 2.388 18531
10587 1 41 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.099 -0.069 18531
10588 1 41 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.727 -0.027 18531
10589 1 41 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.781 -0.681 18531
10590 1 41 . 1 1 32 32 GLN H H 32 7.510 7.510 8.053 -0.543 18531
10591 1 41 . 1 1 33 33 TYR N N 33 120.400 120.400 120.858 -0.458 18531
10592 1 41 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.300 -0.050 18531
10593 1 41 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.280 0.520 18531
10594 1 41 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.818 -0.118 18531
10595 1 41 . 1 1 33 33 TYR H H 33 8.080 8.080 8.043 0.037 18531
10596 1 41 . 1 1 34 34 ALA N N 34 122.300 122.300 121.589 0.711 18531
10597 1 41 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.976 -0.196 18531
10598 1 41 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.463 0.637 18531
10599 1 41 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.540 -0.840 18531
10600 1 41 . 1 1 34 34 ALA H H 34 9.210 9.210 8.601 0.609 18531
10601 1 41 . 1 1 35 35 ASN N N 35 117.700 117.700 116.566 1.134 18531
10602 1 41 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.664 -0.204 18531
10603 1 41 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.583 1.417 18531
10604 1 41 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.325 0.675 18531
10605 1 41 . 1 1 35 35 ASN H H 35 8.390 8.390 8.569 -0.179 18531
10606 1 41 . 1 1 36 36 ASP N N 36 121.100 121.100 119.345 1.755 18531
10607 1 41 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.610 -0.250 18531
10608 1 41 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.801 0.899 18531
10609 1 41 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.084 -1.084 18531
10610 1 41 . 1 1 36 36 ASP H H 36 8.830 8.830 7.778 1.052 18531
10611 1 41 . 1 1 37 37 ASN N N 37 115.200 115.200 116.972 -1.772 18531
10612 1 41 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.814 -0.204 18531
10613 1 41 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.521 1.179 18531
10614 1 41 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.853 1.147 18531
10615 1 41 . 1 1 37 37 ASN H H 37 7.390 7.390 7.619 -0.229 18531
10616 1 41 . 1 1 38 38 GLY N N 38 108.200 108.200 107.944 0.256 18531
10617 1 41 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.155 0.245 18531
10618 1 41 . 1 1 38 38 GLY H H 38 7.800 7.800 7.721 0.079 18531
10619 1 41 . 1 1 39 39 VAL N N 39 120.800 120.800 119.537 1.263 18531
10620 1 41 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.313 -0.173 18531
10621 1 41 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.199 0.501 18531
10622 1 41 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.482 -1.182 18531
10623 1 41 . 1 1 39 39 VAL H H 39 8.120 8.120 7.770 0.350 18531
10624 1 41 . 1 1 40 40 ASP N N 40 128.000 128.000 125.830 2.170 18531
10625 1 41 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.807 0.083 18531
10626 1 41 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.032 -1.232 18531
10627 1 41 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.955 -0.855 18531
10628 1 41 . 1 1 40 40 ASP H H 40 8.770 8.770 8.422 0.348 18531
10629 1 41 . 1 1 41 41 GLY N N 41 107.100 107.100 111.161 -4.061 18531
10630 1 41 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.702 -0.302 18531
10631 1 41 . 1 1 41 41 GLY H H 41 7.910 7.910 8.050 -0.140 18531
10632 1 41 . 1 1 42 42 VAL N N 42 120.300 120.300 119.603 0.697 18531
10633 1 41 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.392 -0.012 18531
10634 1 41 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.207 0.893 18531
10635 1 41 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.444 -0.044 18531
10636 1 41 . 1 1 42 42 VAL H H 42 8.250 8.250 8.530 -0.280 18531
10637 1 41 . 1 1 43 43 TRP N N 43 130.700 130.700 122.553 8.147 18531
10638 1 41 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.298 0.062 18531
10639 1 41 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.198 1.402 18531
10640 1 41 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.017 -0.817 18531
10641 1 41 . 1 1 43 43 TRP H H 43 9.360 9.360 8.625 0.735 18531
10642 1 41 . 1 1 44 44 THR N N 44 114.500 114.500 119.531 -5.031 18531
10643 1 41 . 1 1 44 44 THR HA H 44 4.830 4.830 4.731 0.099 18531
10644 1 41 . 1 1 44 44 THR CA C 44 60.300 60.300 61.249 -0.949 18531
10645 1 41 . 1 1 44 44 THR CB C 44 72.100 72.100 69.055 3.045 18531
10646 1 41 . 1 1 44 44 THR H H 44 9.400 9.400 8.493 0.907 18531
10647 1 41 . 1 1 45 45 TYR N N 45 120.100 120.100 127.321 -7.221 18531
10648 1 41 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.255 -0.285 18531
10649 1 41 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.825 2.175 18531
10650 1 41 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.484 1.116 18531
10651 1 41 . 1 1 45 45 TYR H H 45 8.580 8.580 8.283 0.297 18531
10652 1 41 . 1 1 46 46 ASP N N 46 128.300 128.300 123.953 4.347 18531
10653 1 41 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.447 0.133 18531
10654 1 41 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.599 0.302 18531
10655 1 41 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.883 -0.783 18531
10656 1 41 . 1 1 46 46 ASP H H 46 7.580 7.580 8.122 -0.542 18531
10657 1 41 . 1 1 47 47 ASP N N 47 124.800 124.800 123.842 0.958 18531
10658 1 41 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.789 -0.679 18531
10659 1 41 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.812 1.688 18531
10660 1 41 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.617 1.483 18531
10661 1 41 . 1 1 47 47 ASP H H 47 8.590 8.590 8.552 0.038 18531
10662 1 41 . 1 1 48 48 ALA N N 48 119.700 119.700 122.038 -2.338 18531
10663 1 41 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.495 -0.405 18531
10664 1 41 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.521 1.479 18531
10665 1 41 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.401 -2.101 18531
10666 1 41 . 1 1 48 48 ALA H H 48 8.340 8.340 7.812 0.528 18531
10667 1 41 . 1 1 49 49 THR N N 49 103.200 103.200 113.769 -10.569 18531
10668 1 41 . 1 1 49 49 THR HA H 49 4.390 4.390 4.546 -0.156 18531
10669 1 41 . 1 1 49 49 THR CA C 49 60.200 60.200 61.054 -0.854 18531
10670 1 41 . 1 1 49 49 THR CB C 49 70.000 70.000 68.585 1.415 18531
10671 1 41 . 1 1 49 49 THR H H 49 7.000 7.000 8.215 -1.215 18531
10672 1 41 . 1 1 50 50 LYS N N 50 123.100 123.100 121.569 1.531 18531
10673 1 41 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.233 -0.043 18531
10674 1 41 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.718 -1.118 18531
10675 1 41 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.387 -1.787 18531
10676 1 41 . 1 1 50 50 LYS H H 50 7.860 7.860 8.194 -0.334 18531
10677 1 41 . 1 1 51 51 THR N N 51 111.200 111.200 115.122 -3.922 18531
10678 1 41 . 1 1 51 51 THR HA H 51 5.490 5.490 4.702 0.788 18531
10679 1 41 . 1 1 51 51 THR CA C 51 62.300 62.300 62.322 -0.022 18531
10680 1 41 . 1 1 51 51 THR CB C 51 72.100 72.100 70.202 1.898 18531
10681 1 41 . 1 1 51 51 THR H H 51 7.390 7.390 7.657 -0.267 18531
10682 1 41 . 1 1 52 52 PHE N N 52 131.000 131.000 129.103 1.897 18531
10683 1 41 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.062 0.568 18531
10684 1 41 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.822 0.478 18531
10685 1 41 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.654 1.946 18531
10686 1 41 . 1 1 52 52 PHE H H 52 10.390 10.390 9.135 1.255 18531
10687 1 41 . 1 1 53 53 THR N N 53 117.400 117.400 121.439 -4.039 18531
10688 1 41 . 1 1 53 53 THR HA H 53 5.270 5.270 5.130 0.140 18531
10689 1 41 . 1 1 53 53 THR CA C 53 61.200 61.200 61.206 -0.007 18531
10690 1 41 . 1 1 53 53 THR CB C 53 71.000 71.000 70.136 0.864 18531
10691 1 41 . 1 1 53 53 THR H H 53 9.180 9.180 9.155 0.025 18531
10692 1 41 . 1 1 54 54 VAL N N 54 123.000 123.000 126.194 -3.194 18531
10693 1 41 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.267 0.193 18531
10694 1 41 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.860 -2.760 18531
10695 1 41 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.597 -0.297 18531
10696 1 41 . 1 1 54 54 VAL H H 54 8.280 8.280 9.028 -0.748 18531
10697 1 41 . 1 1 55 55 THR N N 55 123.900 123.900 122.283 1.617 18531
10698 1 41 . 1 1 55 55 THR HA H 55 4.700 4.700 4.401 0.299 18531
10699 1 41 . 1 1 55 55 THR CA C 55 61.200 61.200 60.610 0.590 18531
10700 1 41 . 1 1 55 55 THR CB C 55 70.700 70.700 69.659 1.041 18531
10701 1 41 . 1 1 55 55 THR H H 55 8.320 8.320 8.432 -0.112 18531
10702 1 42 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.927 0.123 18531
10703 1 42 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.060 0.539 18531
10704 1 42 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.980 -1.280 18531
10705 1 42 . 1 1 2 2 GLN H H 2 8.410 8.410 7.926 0.484 18531
10706 1 42 . 1 1 3 3 TYR N N 3 124.000 124.000 121.988 2.012 18531
10707 1 42 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.990 0.370 18531
10708 1 42 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.251 0.849 18531
10709 1 42 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.518 1.082 18531
10710 1 42 . 1 1 3 3 TYR H H 3 9.070 9.070 9.178 -0.108 18531
10711 1 42 . 1 1 4 4 LYS N N 4 122.500 122.500 121.374 1.126 18531
10712 1 42 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.853 0.367 18531
10713 1 42 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.990 0.010 18531
10714 1 42 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.305 -0.305 18531
10715 1 42 . 1 1 4 4 LYS H H 4 9.100 9.100 8.996 0.104 18531
10716 1 42 . 1 1 5 5 LEU N N 5 126.400 126.400 128.330 -1.930 18531
10717 1 42 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.954 0.016 18531
10718 1 42 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.109 -0.309 18531
10719 1 42 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.822 -1.222 18531
10720 1 42 . 1 1 5 5 LEU H H 5 8.620 8.620 8.616 0.004 18531
10721 1 42 . 1 1 6 6 VAL N N 6 127.000 127.000 127.034 -0.034 18531
10722 1 42 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.623 -0.463 18531
10723 1 42 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.128 1.172 18531
10724 1 42 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.905 -1.205 18531
10725 1 42 . 1 1 6 6 VAL H H 6 9.190 9.190 8.962 0.228 18531
10726 1 42 . 1 1 7 7 ILE N N 7 125.400 125.400 124.509 0.891 18531
10727 1 42 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.264 -0.174 18531
10728 1 42 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.571 0.130 18531
10729 1 42 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.913 1.087 18531
10730 1 42 . 1 1 7 7 ILE H H 7 8.800 8.800 8.173 0.627 18531
10731 1 42 . 1 1 8 8 ASN N N 8 128.900 128.900 125.463 3.437 18531
10732 1 42 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.905 0.375 18531
10733 1 42 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.260 -1.460 18531
10734 1 42 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.999 -0.900 18531
10735 1 42 . 1 1 8 8 ASN H H 8 8.990 8.990 8.128 0.862 18531
10736 1 42 . 1 1 9 9 GLY N N 9 110.200 110.200 108.352 1.848 18531
10737 1 42 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.810 -0.110 18531
10738 1 42 . 1 1 9 9 GLY H H 9 7.920 7.920 7.554 0.366 18531
10739 1 42 . 1 1 10 10 LYS N N 10 120.700 120.700 120.164 0.536 18531
10740 1 42 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.229 -0.169 18531
10741 1 42 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.931 0.269 18531
10742 1 42 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.907 -0.007 18531
10743 1 42 . 1 1 10 10 LYS H H 10 9.520 9.520 8.569 0.951 18531
10744 1 42 . 1 1 11 11 THR N N 11 108.900 108.900 113.186 -4.286 18531
10745 1 42 . 1 1 11 11 THR HA H 11 4.360 4.360 4.429 -0.070 18531
10746 1 42 . 1 1 11 11 THR CA C 11 62.000 62.000 61.955 0.045 18531
10747 1 42 . 1 1 11 11 THR CB C 11 69.800 69.800 68.824 0.976 18531
10748 1 42 . 1 1 11 11 THR H H 11 8.790 8.790 8.202 0.588 18531
10749 1 42 . 1 1 12 12 LEU N N 12 125.700 125.700 124.576 1.124 18531
10750 1 42 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.563 -0.123 18531
10751 1 42 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.112 -0.112 18531
10752 1 42 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.100 -0.800 18531
10753 1 42 . 1 1 12 12 LEU H H 12 7.580 7.580 7.679 -0.099 18531
10754 1 42 . 1 1 13 13 LYS N N 13 123.500 123.500 123.797 -0.297 18531
10755 1 42 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.636 -0.516 18531
10756 1 42 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.613 -0.713 18531
10757 1 42 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.378 -0.578 18531
10758 1 42 . 1 1 13 13 LYS H H 13 8.140 8.140 8.333 -0.193 18531
10759 1 42 . 1 1 14 14 GLY N N 14 109.100 109.100 110.299 -1.199 18531
10760 1 42 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.942 -0.742 18531
10761 1 42 . 1 1 14 14 GLY H H 14 8.340 8.340 8.224 0.116 18531
10762 1 42 . 1 1 15 15 GLU N N 15 118.200 118.200 120.242 -2.042 18531
10763 1 42 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.904 0.696 18531
10764 1 42 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.662 -1.162 18531
10765 1 42 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.070 0.730 18531
10766 1 42 . 1 1 15 15 GLU H H 15 8.390 8.390 8.481 -0.091 18531
10767 1 42 . 1 1 16 16 THR N N 16 115.600 115.600 123.160 -7.560 18531
10768 1 42 . 1 1 16 16 THR HA H 16 4.730 4.730 4.595 0.135 18531
10769 1 42 . 1 1 16 16 THR CA C 16 60.600 60.600 61.382 -0.782 18531
10770 1 42 . 1 1 16 16 THR CB C 16 69.500 69.500 69.302 0.198 18531
10771 1 42 . 1 1 16 16 THR H H 16 8.820 8.820 8.767 0.053 18531
10772 1 42 . 1 1 17 17 THR N N 17 111.800 111.800 119.948 -8.148 18531
10773 1 42 . 1 1 17 17 THR HA H 17 5.790 5.790 5.202 0.588 18531
10774 1 42 . 1 1 17 17 THR CA C 17 59.800 59.800 60.761 -0.961 18531
10775 1 42 . 1 1 17 17 THR CB C 17 73.100 73.100 70.200 2.900 18531
10776 1 42 . 1 1 17 17 THR H H 17 8.140 8.140 8.538 -0.398 18531
10777 1 42 . 1 1 18 18 THR N N 18 115.100 115.100 116.632 -1.532 18531
10778 1 42 . 1 1 18 18 THR HA H 18 4.640 4.640 4.644 -0.004 18531
10779 1 42 . 1 1 18 18 THR CA C 18 61.900 61.900 60.764 1.135 18531
10780 1 42 . 1 1 18 18 THR CB C 18 70.000 70.000 70.485 -0.485 18531
10781 1 42 . 1 1 18 18 THR H H 18 8.930 8.930 9.281 -0.351 18531
10782 1 42 . 1 1 19 19 LYS N N 19 124.300 124.300 119.741 4.559 18531
10783 1 42 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.046 0.284 18531
10784 1 42 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.902 0.098 18531
10785 1 42 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.802 -2.002 18531
10786 1 42 . 1 1 19 19 LYS H H 19 7.950 7.950 8.320 -0.370 18531
10787 1 42 . 1 1 20 20 ALA N N 20 124.600 124.600 124.320 0.280 18531
10788 1 42 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.631 0.149 18531
10789 1 42 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.749 -0.849 18531
10790 1 42 . 1 1 20 20 ALA CB C 20 23.800 23.800 22.088 1.712 18531
10791 1 42 . 1 1 20 20 ALA H H 20 9.110 9.110 8.129 0.981 18531
10792 1 42 . 1 1 21 21 VAL N N 21 115.300 115.300 114.349 0.951 18531
10793 1 42 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.262 -0.152 18531
10794 1 42 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.742 -0.442 18531
10795 1 42 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.590 0.610 18531
10796 1 42 . 1 1 21 21 VAL H H 21 8.480 8.480 8.313 0.167 18531
10797 1 42 . 1 1 22 22 ASP N N 22 115.200 115.200 115.780 -0.580 18531
10798 1 42 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.752 -0.042 18531
10799 1 42 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.741 -1.341 18531
10800 1 42 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.832 0.368 18531
10801 1 42 . 1 1 22 22 ASP H H 22 7.310 7.310 7.682 -0.372 18531
10802 1 42 . 1 1 23 23 ALA N N 23 121.000 121.000 125.130 -4.130 18531
10803 1 42 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.386 -0.046 18531
10804 1 42 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.402 -0.502 18531
10805 1 42 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.423 -0.923 18531
10806 1 42 . 1 1 23 23 ALA H H 23 8.370 8.370 8.852 -0.482 18531
10807 1 42 . 1 1 24 24 GLU N N 24 118.900 118.900 117.639 1.261 18531
10808 1 42 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.896 -0.036 18531
10809 1 42 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.153 0.547 18531
10810 1 42 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.012 0.089 18531
10811 1 42 . 1 1 24 24 GLU H H 24 8.410 8.410 8.779 -0.369 18531
10812 1 42 . 1 1 25 25 THR N N 25 117.400 117.400 115.354 2.046 18531
10813 1 42 . 1 1 25 25 THR HA H 25 3.670 3.670 4.073 -0.403 18531
10814 1 42 . 1 1 25 25 THR CA C 25 66.800 66.800 65.141 1.659 18531
10815 1 42 . 1 1 25 25 THR CB C 25 68.000 68.000 68.709 -0.709 18531
10816 1 42 . 1 1 25 25 THR H H 25 8.380 8.380 7.748 0.632 18531
10817 1 42 . 1 1 26 26 ALA N N 26 125.100 125.100 124.633 0.467 18531
10818 1 42 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.624 -0.434 18531
10819 1 42 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.547 0.453 18531
10820 1 42 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.480 -0.180 18531
10821 1 42 . 1 1 26 26 ALA H H 26 7.220 7.220 8.039 -0.819 18531
10822 1 42 . 1 1 27 27 GLU N N 27 117.400 117.400 118.317 -0.917 18531
10823 1 42 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.715 -1.125 18531
10824 1 42 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.682 0.018 18531
10825 1 42 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.361 -0.161 18531
10826 1 42 . 1 1 27 27 GLU H H 27 8.370 8.370 8.430 -0.060 18531
10827 1 42 . 1 1 28 28 LYS N N 28 116.300 116.300 118.664 -2.364 18531
10828 1 42 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.939 -0.269 18531
10829 1 42 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.023 0.577 18531
10830 1 42 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.138 0.062 18531
10831 1 42 . 1 1 28 28 LYS H H 28 7.170 7.170 7.581 -0.411 18531
10832 1 42 . 1 1 29 29 ALA N N 29 122.000 122.000 121.939 0.061 18531
10833 1 42 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.038 0.052 18531
10834 1 42 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.578 0.122 18531
10835 1 42 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.940 -0.440 18531
10836 1 42 . 1 1 29 29 ALA H H 29 7.200 7.200 7.015 0.185 18531
10837 1 42 . 1 1 30 30 PHE N N 30 119.600 119.600 117.022 2.578 18531
10838 1 42 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.384 0.396 18531
10839 1 42 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.624 -3.024 18531
10840 1 42 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.561 -1.161 18531
10841 1 42 . 1 1 30 30 PHE H H 30 8.610 8.610 7.578 1.032 18531
10842 1 42 . 1 1 31 31 LYS N N 31 122.800 122.800 119.083 3.717 18531
10843 1 42 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.188 -0.098 18531
10844 1 42 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.696 0.004 18531
10845 1 42 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.118 -0.518 18531
10846 1 42 . 1 1 31 31 LYS H H 31 9.030 9.030 8.294 0.736 18531
10847 1 42 . 1 1 32 32 GLN N N 32 119.600 119.600 116.615 2.985 18531
10848 1 42 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.253 -0.223 18531
10849 1 42 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.703 0.997 18531
10850 1 42 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.740 -0.640 18531
10851 1 42 . 1 1 32 32 GLN H H 32 7.510 7.510 7.700 -0.190 18531
10852 1 42 . 1 1 33 33 TYR N N 33 120.400 120.400 121.175 -0.775 18531
10853 1 42 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.342 -0.092 18531
10854 1 42 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.816 0.984 18531
10855 1 42 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.331 -0.631 18531
10856 1 42 . 1 1 33 33 TYR H H 33 8.080 8.080 8.128 -0.048 18531
10857 1 42 . 1 1 34 34 ALA N N 34 122.300 122.300 120.757 1.543 18531
10858 1 42 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.838 -0.058 18531
10859 1 42 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.438 0.662 18531
10860 1 42 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.279 -0.579 18531
10861 1 42 . 1 1 34 34 ALA H H 34 9.210 9.210 8.244 0.966 18531
10862 1 42 . 1 1 35 35 ASN N N 35 117.700 117.700 115.766 1.934 18531
10863 1 42 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.523 -0.063 18531
10864 1 42 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.587 1.413 18531
10865 1 42 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.356 0.644 18531
10866 1 42 . 1 1 35 35 ASN H H 35 8.390 8.390 8.149 0.241 18531
10867 1 42 . 1 1 36 36 ASP N N 36 121.100 121.100 118.778 2.322 18531
10868 1 42 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.684 -0.324 18531
10869 1 42 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.853 1.847 18531
10870 1 42 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.367 -1.367 18531
10871 1 42 . 1 1 36 36 ASP H H 36 8.830 8.830 7.993 0.837 18531
10872 1 42 . 1 1 37 37 ASN N N 37 115.200 115.200 116.898 -1.698 18531
10873 1 42 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.805 -0.195 18531
10874 1 42 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.544 1.156 18531
10875 1 42 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.806 1.194 18531
10876 1 42 . 1 1 37 37 ASN H H 37 7.390 7.390 7.696 -0.306 18531
10877 1 42 . 1 1 38 38 GLY N N 38 108.200 108.200 108.823 -0.623 18531
10878 1 42 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.297 0.103 18531
10879 1 42 . 1 1 38 38 GLY H H 38 7.800 7.800 7.718 0.082 18531
10880 1 42 . 1 1 39 39 VAL N N 39 120.800 120.800 120.221 0.579 18531
10881 1 42 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.608 -0.468 18531
10882 1 42 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.072 0.628 18531
10883 1 42 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.376 -1.076 18531
10884 1 42 . 1 1 39 39 VAL H H 39 8.120 8.120 7.841 0.279 18531
10885 1 42 . 1 1 40 40 ASP N N 40 128.000 128.000 124.843 3.157 18531
10886 1 42 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.886 0.004 18531
10887 1 42 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.874 -1.074 18531
10888 1 42 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.578 -1.478 18531
10889 1 42 . 1 1 40 40 ASP H H 40 8.770 8.770 8.620 0.150 18531
10890 1 42 . 1 1 41 41 GLY N N 41 107.100 107.100 111.897 -4.797 18531
10891 1 42 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.651 -0.251 18531
10892 1 42 . 1 1 41 41 GLY H H 41 7.910 7.910 8.307 -0.397 18531
10893 1 42 . 1 1 42 42 VAL N N 42 120.300 120.300 119.593 0.707 18531
10894 1 42 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.536 -0.156 18531
10895 1 42 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.828 1.272 18531
10896 1 42 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.251 0.149 18531
10897 1 42 . 1 1 42 42 VAL H H 42 8.250 8.250 8.520 -0.270 18531
10898 1 42 . 1 1 43 43 TRP N N 43 130.700 130.700 122.169 8.531 18531
10899 1 42 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.432 -0.072 18531
10900 1 42 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.229 1.371 18531
10901 1 42 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.945 -0.745 18531
10902 1 42 . 1 1 43 43 TRP H H 43 9.360 9.360 8.641 0.719 18531
10903 1 42 . 1 1 44 44 THR N N 44 114.500 114.500 118.797 -4.297 18531
10904 1 42 . 1 1 44 44 THR HA H 44 4.830 4.830 4.531 0.299 18531
10905 1 42 . 1 1 44 44 THR CA C 44 60.300 60.300 61.696 -1.396 18531
10906 1 42 . 1 1 44 44 THR CB C 44 72.100 72.100 69.336 2.764 18531
10907 1 42 . 1 1 44 44 THR H H 44 9.400 9.400 8.266 1.134 18531
10908 1 42 . 1 1 45 45 TYR N N 45 120.100 120.100 128.570 -8.470 18531
10909 1 42 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.885 0.085 18531
10910 1 42 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.209 1.791 18531
10911 1 42 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.835 0.765 18531
10912 1 42 . 1 1 45 45 TYR H H 45 8.580 8.580 8.376 0.204 18531
10913 1 42 . 1 1 46 46 ASP N N 46 128.300 128.300 126.793 1.507 18531
10914 1 42 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.412 0.168 18531
10915 1 42 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.735 0.165 18531
10916 1 42 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.691 -0.591 18531
10917 1 42 . 1 1 46 46 ASP H H 46 7.580 7.580 7.837 -0.257 18531
10918 1 42 . 1 1 47 47 ASP N N 47 124.800 124.800 123.872 0.928 18531
10919 1 42 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.669 -0.559 18531
10920 1 42 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.004 1.496 18531
10921 1 42 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.370 1.730 18531
10922 1 42 . 1 1 47 47 ASP H H 47 8.590 8.590 8.283 0.307 18531
10923 1 42 . 1 1 48 48 ALA N N 48 119.700 119.700 122.534 -2.834 18531
10924 1 42 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.439 -0.349 18531
10925 1 42 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.644 1.356 18531
10926 1 42 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.572 -2.272 18531
10927 1 42 . 1 1 48 48 ALA H H 48 8.340 8.340 7.841 0.499 18531
10928 1 42 . 1 1 49 49 THR N N 49 103.200 103.200 114.102 -10.902 18531
10929 1 42 . 1 1 49 49 THR HA H 49 4.390 4.390 4.400 -0.010 18531
10930 1 42 . 1 1 49 49 THR CA C 49 60.200 60.200 61.552 -1.352 18531
10931 1 42 . 1 1 49 49 THR CB C 49 70.000 70.000 68.538 1.462 18531
10932 1 42 . 1 1 49 49 THR H H 49 7.000 7.000 8.513 -1.513 18531
10933 1 42 . 1 1 50 50 LYS N N 50 123.100 123.100 120.370 2.730 18531
10934 1 42 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.318 -0.128 18531
10935 1 42 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.748 -1.148 18531
10936 1 42 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.506 -1.906 18531
10937 1 42 . 1 1 50 50 LYS H H 50 7.860 7.860 7.976 -0.116 18531
10938 1 42 . 1 1 51 51 THR N N 51 111.200 111.200 115.855 -4.655 18531
10939 1 42 . 1 1 51 51 THR HA H 51 5.490 5.490 4.644 0.846 18531
10940 1 42 . 1 1 51 51 THR CA C 51 62.300 62.300 62.559 -0.259 18531
10941 1 42 . 1 1 51 51 THR CB C 51 72.100 72.100 70.588 1.512 18531
10942 1 42 . 1 1 51 51 THR H H 51 7.390 7.390 7.575 -0.185 18531
10943 1 42 . 1 1 52 52 PHE N N 52 131.000 131.000 127.773 3.227 18531
10944 1 42 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.297 0.333 18531
10945 1 42 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.726 0.574 18531
10946 1 42 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.612 -0.012 18531
10947 1 42 . 1 1 52 52 PHE H H 52 10.390 10.390 8.503 1.887 18531
10948 1 42 . 1 1 53 53 THR N N 53 117.400 117.400 120.367 -2.967 18531
10949 1 42 . 1 1 53 53 THR HA H 53 5.270 5.270 4.916 0.354 18531
10950 1 42 . 1 1 53 53 THR CA C 53 61.200 61.200 61.130 0.070 18531
10951 1 42 . 1 1 53 53 THR CB C 53 71.000 71.000 71.939 -0.939 18531
10952 1 42 . 1 1 53 53 THR H H 53 9.180 9.180 8.309 0.871 18531
10953 1 42 . 1 1 54 54 VAL N N 54 123.000 123.000 124.430 -1.430 18531
10954 1 42 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.255 0.205 18531
10955 1 42 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.255 -2.155 18531
10956 1 42 . 1 1 54 54 VAL CB C 54 32.300 32.300 31.499 0.801 18531
10957 1 42 . 1 1 54 54 VAL H H 54 8.280 8.280 8.122 0.158 18531
10958 1 42 . 1 1 55 55 THR N N 55 123.900 123.900 123.170 0.730 18531
10959 1 42 . 1 1 55 55 THR HA H 55 4.700 4.700 4.691 0.009 18531
10960 1 42 . 1 1 55 55 THR CA C 55 61.200 61.200 60.983 0.217 18531
10961 1 42 . 1 1 55 55 THR CB C 55 70.700 70.700 69.861 0.839 18531
10962 1 42 . 1 1 55 55 THR H H 55 8.320 8.320 7.927 0.393 18531
10963 1 43 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.618 0.432 18531
10964 1 43 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.590 0.010 18531
10965 1 43 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.667 -0.967 18531
10966 1 43 . 1 1 2 2 GLN H H 2 8.410 8.410 7.843 0.567 18531
10967 1 43 . 1 1 3 3 TYR N N 3 124.000 124.000 123.184 0.816 18531
10968 1 43 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.953 0.407 18531
10969 1 43 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.403 0.697 18531
10970 1 43 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.203 1.397 18531
10971 1 43 . 1 1 3 3 TYR H H 3 9.070 9.070 9.316 -0.246 18531
10972 1 43 . 1 1 4 4 LYS N N 4 122.500 122.500 122.881 -0.381 18531
10973 1 43 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.797 0.423 18531
10974 1 43 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.579 0.421 18531
10975 1 43 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.911 0.089 18531
10976 1 43 . 1 1 4 4 LYS H H 4 9.100 9.100 8.487 0.613 18531
10977 1 43 . 1 1 5 5 LEU N N 5 126.400 126.400 128.810 -2.410 18531
10978 1 43 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.021 -0.051 18531
10979 1 43 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.407 -0.607 18531
10980 1 43 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.880 -1.280 18531
10981 1 43 . 1 1 5 5 LEU H H 5 8.620 8.620 8.744 -0.124 18531
10982 1 43 . 1 1 6 6 VAL N N 6 127.000 127.000 127.748 -0.748 18531
10983 1 43 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.293 -0.133 18531
10984 1 43 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.936 1.364 18531
10985 1 43 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.658 0.042 18531
10986 1 43 . 1 1 6 6 VAL H H 6 9.190 9.190 9.176 0.014 18531
10987 1 43 . 1 1 7 7 ILE N N 7 125.400 125.400 128.025 -2.625 18531
10988 1 43 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.475 -0.385 18531
10989 1 43 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.572 0.128 18531
10990 1 43 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.605 -0.605 18531
10991 1 43 . 1 1 7 7 ILE H H 7 8.800 8.800 7.796 1.004 18531
10992 1 43 . 1 1 8 8 ASN N N 8 128.900 128.900 124.948 3.952 18531
10993 1 43 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.988 0.292 18531
10994 1 43 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.553 -1.753 18531
10995 1 43 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.856 -1.756 18531
10996 1 43 . 1 1 8 8 ASN H H 8 8.990 8.990 8.873 0.117 18531
10997 1 43 . 1 1 9 9 GLY N N 9 110.200 110.200 108.537 1.663 18531
10998 1 43 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.872 0.828 18531
10999 1 43 . 1 1 9 9 GLY H H 9 7.920 7.920 7.730 0.190 18531
11000 1 43 . 1 1 10 10 LYS N N 10 120.700 120.700 119.609 1.091 18531
11001 1 43 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.221 -0.161 18531
11002 1 43 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.586 0.615 18531
11003 1 43 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.984 -0.084 18531
11004 1 43 . 1 1 10 10 LYS H H 10 9.520 9.520 8.762 0.758 18531
11005 1 43 . 1 1 11 11 THR N N 11 108.900 108.900 109.389 -0.489 18531
11006 1 43 . 1 1 11 11 THR HA H 11 4.360 4.360 4.342 0.018 18531
11007 1 43 . 1 1 11 11 THR CA C 11 62.000 62.000 61.923 0.077 18531
11008 1 43 . 1 1 11 11 THR CB C 11 69.800 69.800 69.562 0.238 18531
11009 1 43 . 1 1 11 11 THR H H 11 8.790 8.790 7.857 0.933 18531
11010 1 43 . 1 1 12 12 LEU N N 12 125.700 125.700 124.179 1.521 18531
11011 1 43 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.392 0.048 18531
11012 1 43 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.103 -0.103 18531
11013 1 43 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.805 0.495 18531
11014 1 43 . 1 1 12 12 LEU H H 12 7.580 7.580 7.977 -0.397 18531
11015 1 43 . 1 1 13 13 LYS N N 13 123.500 123.500 125.693 -2.193 18531
11016 1 43 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.566 0.554 18531
11017 1 43 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.125 -2.225 18531
11018 1 43 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.469 1.331 18531
11019 1 43 . 1 1 13 13 LYS H H 13 8.140 8.140 8.540 -0.400 18531
11020 1 43 . 1 1 14 14 GLY N N 14 109.100 109.100 110.083 -0.983 18531
11021 1 43 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.594 0.606 18531
11022 1 43 . 1 1 14 14 GLY H H 14 8.340 8.340 8.016 0.324 18531
11023 1 43 . 1 1 15 15 GLU N N 15 118.200 118.200 119.291 -1.091 18531
11024 1 43 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.865 0.735 18531
11025 1 43 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.191 -0.691 18531
11026 1 43 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.316 1.484 18531
11027 1 43 . 1 1 15 15 GLU H H 15 8.390 8.390 8.393 -0.003 18531
11028 1 43 . 1 1 16 16 THR N N 16 115.600 115.600 119.285 -3.685 18531
11029 1 43 . 1 1 16 16 THR HA H 16 4.730 4.730 4.576 0.154 18531
11030 1 43 . 1 1 16 16 THR CA C 16 60.600 60.600 61.959 -1.359 18531
11031 1 43 . 1 1 16 16 THR CB C 16 69.500 69.500 70.096 -0.596 18531
11032 1 43 . 1 1 16 16 THR H H 16 8.820 8.820 8.322 0.498 18531
11033 1 43 . 1 1 17 17 THR N N 17 111.800 111.800 119.185 -7.385 18531
11034 1 43 . 1 1 17 17 THR HA H 17 5.790 5.790 5.086 0.704 18531
11035 1 43 . 1 1 17 17 THR CA C 17 59.800 59.800 60.544 -0.744 18531
11036 1 43 . 1 1 17 17 THR CB C 17 73.100 73.100 70.324 2.776 18531
11037 1 43 . 1 1 17 17 THR H H 17 8.140 8.140 8.345 -0.205 18531
11038 1 43 . 1 1 18 18 THR N N 18 115.100 115.100 117.475 -2.375 18531
11039 1 43 . 1 1 18 18 THR HA H 18 4.640 4.640 4.698 -0.058 18531
11040 1 43 . 1 1 18 18 THR CA C 18 61.900 61.900 61.730 0.170 18531
11041 1 43 . 1 1 18 18 THR CB C 18 70.000 70.000 72.030 -2.030 18531
11042 1 43 . 1 1 18 18 THR H H 18 8.930 8.930 9.314 -0.384 18531
11043 1 43 . 1 1 19 19 LYS N N 19 124.300 124.300 120.138 4.162 18531
11044 1 43 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.724 0.606 18531
11045 1 43 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.136 -0.136 18531
11046 1 43 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.497 -0.697 18531
11047 1 43 . 1 1 19 19 LYS H H 19 7.950 7.950 8.352 -0.402 18531
11048 1 43 . 1 1 20 20 ALA N N 20 124.600 124.600 123.959 0.641 18531
11049 1 43 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.586 0.194 18531
11050 1 43 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.801 -0.901 18531
11051 1 43 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.599 2.201 18531
11052 1 43 . 1 1 20 20 ALA H H 20 9.110 9.110 7.704 1.406 18531
11053 1 43 . 1 1 21 21 VAL N N 21 115.300 115.300 115.298 0.002 18531
11054 1 43 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.054 0.056 18531
11055 1 43 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.665 -1.365 18531
11056 1 43 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.792 0.408 18531
11057 1 43 . 1 1 21 21 VAL H H 21 8.480 8.480 8.341 0.139 18531
11058 1 43 . 1 1 22 22 ASP N N 22 115.200 115.200 113.835 1.365 18531
11059 1 43 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.934 -0.224 18531
11060 1 43 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.546 -0.146 18531
11061 1 43 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.036 0.164 18531
11062 1 43 . 1 1 22 22 ASP H H 22 7.310 7.310 7.733 -0.423 18531
11063 1 43 . 1 1 23 23 ALA N N 23 121.000 121.000 122.431 -1.431 18531
11064 1 43 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.403 -0.063 18531
11065 1 43 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.889 0.011 18531
11066 1 43 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.438 -0.938 18531
11067 1 43 . 1 1 23 23 ALA H H 23 8.370 8.370 8.656 -0.286 18531
11068 1 43 . 1 1 24 24 GLU N N 24 118.900 118.900 119.390 -0.490 18531
11069 1 43 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.841 0.019 18531
11070 1 43 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.584 0.117 18531
11071 1 43 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.924 0.176 18531
11072 1 43 . 1 1 24 24 GLU H H 24 8.410 8.410 8.351 0.059 18531
11073 1 43 . 1 1 25 25 THR N N 25 117.400 117.400 113.331 4.069 18531
11074 1 43 . 1 1 25 25 THR HA H 25 3.670 3.670 4.136 -0.466 18531
11075 1 43 . 1 1 25 25 THR CA C 25 66.800 66.800 64.120 2.680 18531
11076 1 43 . 1 1 25 25 THR CB C 25 68.000 68.000 68.667 -0.667 18531
11077 1 43 . 1 1 25 25 THR H H 25 8.380 8.380 7.621 0.759 18531
11078 1 43 . 1 1 26 26 ALA N N 26 125.100 125.100 124.359 0.741 18531
11079 1 43 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.598 -0.408 18531
11080 1 43 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.826 0.174 18531
11081 1 43 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.555 -0.255 18531
11082 1 43 . 1 1 26 26 ALA H H 26 7.220 7.220 8.009 -0.789 18531
11083 1 43 . 1 1 27 27 GLU N N 27 117.400 117.400 118.505 -1.105 18531
11084 1 43 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.798 -1.208 18531
11085 1 43 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.704 -0.004 18531
11086 1 43 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.433 -0.233 18531
11087 1 43 . 1 1 27 27 GLU H H 27 8.370 8.370 8.285 0.085 18531
11088 1 43 . 1 1 28 28 LYS N N 28 116.300 116.300 119.001 -2.701 18531
11089 1 43 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.794 -0.124 18531
11090 1 43 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.297 0.303 18531
11091 1 43 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.818 0.382 18531
11092 1 43 . 1 1 28 28 LYS H H 28 7.170 7.170 7.593 -0.423 18531
11093 1 43 . 1 1 29 29 ALA N N 29 122.000 122.000 120.587 1.413 18531
11094 1 43 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.968 0.122 18531
11095 1 43 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.608 0.092 18531
11096 1 43 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.171 -0.671 18531
11097 1 43 . 1 1 29 29 ALA H H 29 7.200 7.200 7.307 -0.107 18531
11098 1 43 . 1 1 30 30 PHE N N 30 119.600 119.600 116.252 3.348 18531
11099 1 43 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.382 0.398 18531
11100 1 43 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.825 -3.225 18531
11101 1 43 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.759 -1.359 18531
11102 1 43 . 1 1 30 30 PHE H H 30 8.610 8.610 7.232 1.378 18531
11103 1 43 . 1 1 31 31 LYS N N 31 122.800 122.800 120.257 2.543 18531
11104 1 43 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.114 -0.024 18531
11105 1 43 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.151 -0.451 18531
11106 1 43 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.802 -0.202 18531
11107 1 43 . 1 1 31 31 LYS H H 31 9.030 9.030 8.526 0.504 18531
11108 1 43 . 1 1 32 32 GLN N N 32 119.600 119.600 117.446 2.154 18531
11109 1 43 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.082 -0.052 18531
11110 1 43 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.730 -0.030 18531
11111 1 43 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.439 -0.339 18531
11112 1 43 . 1 1 32 32 GLN H H 32 7.510 7.510 8.517 -1.007 18531
11113 1 43 . 1 1 33 33 TYR N N 33 120.400 120.400 121.119 -0.719 18531
11114 1 43 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.291 -0.041 18531
11115 1 43 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.796 1.004 18531
11116 1 43 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.819 -0.119 18531
11117 1 43 . 1 1 33 33 TYR H H 33 8.080 8.080 7.883 0.197 18531
11118 1 43 . 1 1 34 34 ALA N N 34 122.300 122.300 120.666 1.634 18531
11119 1 43 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.818 -0.038 18531
11120 1 43 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.667 0.433 18531
11121 1 43 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.473 -0.773 18531
11122 1 43 . 1 1 34 34 ALA H H 34 9.210 9.210 8.205 1.005 18531
11123 1 43 . 1 1 35 35 ASN N N 35 117.700 117.700 115.817 1.883 18531
11124 1 43 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.546 -0.086 18531
11125 1 43 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.689 1.311 18531
11126 1 43 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.378 0.622 18531
11127 1 43 . 1 1 35 35 ASN H H 35 8.390 8.390 8.551 -0.161 18531
11128 1 43 . 1 1 36 36 ASP N N 36 121.100 121.100 119.134 1.966 18531
11129 1 43 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.695 -0.335 18531
11130 1 43 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.065 1.635 18531
11131 1 43 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.654 -0.654 18531
11132 1 43 . 1 1 36 36 ASP H H 36 8.830 8.830 7.872 0.958 18531
11133 1 43 . 1 1 37 37 ASN N N 37 115.200 115.200 116.532 -1.332 18531
11134 1 43 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.803 -0.193 18531
11135 1 43 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.470 1.230 18531
11136 1 43 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.096 0.904 18531
11137 1 43 . 1 1 37 37 ASN H H 37 7.390 7.390 7.692 -0.302 18531
11138 1 43 . 1 1 38 38 GLY N N 38 108.200 108.200 108.683 -0.483 18531
11139 1 43 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.082 0.318 18531
11140 1 43 . 1 1 38 38 GLY H H 38 7.800 7.800 7.713 0.087 18531
11141 1 43 . 1 1 39 39 VAL N N 39 120.800 120.800 119.963 0.837 18531
11142 1 43 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.223 -0.083 18531
11143 1 43 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.285 0.415 18531
11144 1 43 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.633 -1.333 18531
11145 1 43 . 1 1 39 39 VAL H H 39 8.120 8.120 7.903 0.217 18531
11146 1 43 . 1 1 40 40 ASP N N 40 128.000 128.000 124.950 3.050 18531
11147 1 43 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.810 0.080 18531
11148 1 43 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.187 -1.387 18531
11149 1 43 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.900 -0.800 18531
11150 1 43 . 1 1 40 40 ASP H H 40 8.770 8.770 8.414 0.356 18531
11151 1 43 . 1 1 41 41 GLY N N 41 107.100 107.100 111.105 -4.005 18531
11152 1 43 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.528 -0.128 18531
11153 1 43 . 1 1 41 41 GLY H H 41 7.910 7.910 8.154 -0.244 18531
11154 1 43 . 1 1 42 42 VAL N N 42 120.300 120.300 119.679 0.621 18531
11155 1 43 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.405 -0.025 18531
11156 1 43 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.609 0.491 18531
11157 1 43 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.896 -0.496 18531
11158 1 43 . 1 1 42 42 VAL H H 42 8.250 8.250 8.451 -0.201 18531
11159 1 43 . 1 1 43 43 TRP N N 43 130.700 130.700 123.098 7.602 18531
11160 1 43 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.349 0.011 18531
11161 1 43 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.157 1.443 18531
11162 1 43 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.020 -0.820 18531
11163 1 43 . 1 1 43 43 TRP H H 43 9.360 9.360 8.617 0.743 18531
11164 1 43 . 1 1 44 44 THR N N 44 114.500 114.500 119.568 -5.068 18531
11165 1 43 . 1 1 44 44 THR HA H 44 4.830 4.830 4.654 0.176 18531
11166 1 43 . 1 1 44 44 THR CA C 44 60.300 60.300 61.687 -1.387 18531
11167 1 43 . 1 1 44 44 THR CB C 44 72.100 72.100 69.036 3.064 18531
11168 1 43 . 1 1 44 44 THR H H 44 9.400 9.400 8.587 0.813 18531
11169 1 43 . 1 1 45 45 TYR N N 45 120.100 120.100 127.405 -7.305 18531
11170 1 43 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.130 -0.160 18531
11171 1 43 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.029 1.971 18531
11172 1 43 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.481 1.119 18531
11173 1 43 . 1 1 45 45 TYR H H 45 8.580 8.580 8.281 0.298 18531
11174 1 43 . 1 1 46 46 ASP N N 46 128.300 128.300 123.884 4.416 18531
11175 1 43 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.414 0.166 18531
11176 1 43 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.608 0.292 18531
11177 1 43 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.273 -1.173 18531
11178 1 43 . 1 1 46 46 ASP H H 46 7.580 7.580 7.870 -0.290 18531
11179 1 43 . 1 1 47 47 ASP N N 47 124.800 124.800 123.908 0.892 18531
11180 1 43 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.783 -0.673 18531
11181 1 43 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.160 1.340 18531
11182 1 43 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.738 1.362 18531
11183 1 43 . 1 1 47 47 ASP H H 47 8.590 8.590 8.295 0.295 18531
11184 1 43 . 1 1 48 48 ALA N N 48 119.700 119.700 122.392 -2.692 18531
11185 1 43 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.516 -0.426 18531
11186 1 43 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.873 1.127 18531
11187 1 43 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.311 -2.011 18531
11188 1 43 . 1 1 48 48 ALA H H 48 8.340 8.340 8.160 0.180 18531
11189 1 43 . 1 1 49 49 THR N N 49 103.200 103.200 111.241 -8.041 18531
11190 1 43 . 1 1 49 49 THR HA H 49 4.390 4.390 4.471 -0.081 18531
11191 1 43 . 1 1 49 49 THR CA C 49 60.200 60.200 60.726 -0.526 18531
11192 1 43 . 1 1 49 49 THR CB C 49 70.000 70.000 69.272 0.729 18531
11193 1 43 . 1 1 49 49 THR H H 49 7.000 7.000 7.804 -0.804 18531
11194 1 43 . 1 1 50 50 LYS N N 50 123.100 123.100 117.317 5.783 18531
11195 1 43 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.372 -0.182 18531
11196 1 43 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.451 -0.851 18531
11197 1 43 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.587 -0.987 18531
11198 1 43 . 1 1 50 50 LYS H H 50 7.860 7.860 8.149 -0.289 18531
11199 1 43 . 1 1 51 51 THR N N 51 111.200 111.200 116.111 -4.911 18531
11200 1 43 . 1 1 51 51 THR HA H 51 5.490 5.490 4.719 0.771 18531
11201 1 43 . 1 1 51 51 THR CA C 51 62.300 62.300 62.633 -0.333 18531
11202 1 43 . 1 1 51 51 THR CB C 51 72.100 72.100 70.084 2.016 18531
11203 1 43 . 1 1 51 51 THR H H 51 7.390 7.390 7.746 -0.356 18531
11204 1 43 . 1 1 52 52 PHE N N 52 131.000 131.000 129.865 1.135 18531
11205 1 43 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.107 0.523 18531
11206 1 43 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.980 0.320 18531
11207 1 43 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.404 2.196 18531
11208 1 43 . 1 1 52 52 PHE H H 52 10.390 10.390 9.012 1.378 18531
11209 1 43 . 1 1 53 53 THR N N 53 117.400 117.400 120.600 -3.200 18531
11210 1 43 . 1 1 53 53 THR HA H 53 5.270 5.270 5.065 0.205 18531
11211 1 43 . 1 1 53 53 THR CA C 53 61.200 61.200 60.883 0.318 18531
11212 1 43 . 1 1 53 53 THR CB C 53 71.000 71.000 70.784 0.216 18531
11213 1 43 . 1 1 53 53 THR H H 53 9.180 9.180 9.193 -0.013 18531
11214 1 43 . 1 1 54 54 VAL N N 54 123.000 123.000 125.825 -2.825 18531
11215 1 43 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.285 0.175 18531
11216 1 43 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.865 -2.765 18531
11217 1 43 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.218 -0.918 18531
11218 1 43 . 1 1 54 54 VAL H H 54 8.280 8.280 8.935 -0.655 18531
11219 1 43 . 1 1 55 55 THR N N 55 123.900 123.900 124.132 -0.232 18531
11220 1 43 . 1 1 55 55 THR HA H 55 4.700 4.700 4.442 0.258 18531
11221 1 43 . 1 1 55 55 THR CA C 55 61.200 61.200 62.325 -1.125 18531
11222 1 43 . 1 1 55 55 THR CB C 55 70.700 70.700 69.768 0.932 18531
11223 1 43 . 1 1 55 55 THR H H 55 8.320 8.320 8.442 -0.122 18531
11224 1 44 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.654 0.397 18531
11225 1 44 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.699 -0.099 18531
11226 1 44 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.459 -0.759 18531
11227 1 44 . 1 1 2 2 GLN H H 2 8.410 8.410 7.926 0.484 18531
11228 1 44 . 1 1 3 3 TYR N N 3 124.000 124.000 122.982 1.018 18531
11229 1 44 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.882 0.478 18531
11230 1 44 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.467 0.633 18531
11231 1 44 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.920 1.680 18531
11232 1 44 . 1 1 3 3 TYR H H 3 9.070 9.070 8.425 0.645 18531
11233 1 44 . 1 1 4 4 LYS N N 4 122.500 122.500 121.181 1.319 18531
11234 1 44 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.861 0.359 18531
11235 1 44 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.682 0.318 18531
11236 1 44 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.397 -0.397 18531
11237 1 44 . 1 1 4 4 LYS H H 4 9.100 9.100 8.504 0.596 18531
11238 1 44 . 1 1 5 5 LEU N N 5 126.400 126.400 128.259 -1.859 18531
11239 1 44 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.709 0.261 18531
11240 1 44 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.664 -0.864 18531
11241 1 44 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.484 -0.885 18531
11242 1 44 . 1 1 5 5 LEU H H 5 8.620 8.620 8.812 -0.192 18531
11243 1 44 . 1 1 6 6 VAL N N 6 127.000 127.000 128.525 -1.525 18531
11244 1 44 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.226 -0.066 18531
11245 1 44 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.884 0.416 18531
11246 1 44 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.720 -0.020 18531
11247 1 44 . 1 1 6 6 VAL H H 6 9.190 9.190 9.191 -0.001 18531
11248 1 44 . 1 1 7 7 ILE N N 7 125.400 125.400 127.528 -2.128 18531
11249 1 44 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.581 -0.491 18531
11250 1 44 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.262 0.438 18531
11251 1 44 . 1 1 7 7 ILE CB C 7 39.000 39.000 40.155 -1.155 18531
11252 1 44 . 1 1 7 7 ILE H H 7 8.800 8.800 7.726 1.074 18531
11253 1 44 . 1 1 8 8 ASN N N 8 128.900 128.900 123.322 5.578 18531
11254 1 44 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.991 0.289 18531
11255 1 44 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.683 -1.883 18531
11256 1 44 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.063 -1.963 18531
11257 1 44 . 1 1 8 8 ASN H H 8 8.990 8.990 8.910 0.080 18531
11258 1 44 . 1 1 9 9 GLY N N 9 110.200 110.200 108.179 2.021 18531
11259 1 44 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.562 1.138 18531
11260 1 44 . 1 1 9 9 GLY H H 9 7.920 7.920 8.292 -0.372 18531
11261 1 44 . 1 1 10 10 LYS N N 10 120.700 120.700 121.851 -1.151 18531
11262 1 44 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.148 -0.088 18531
11263 1 44 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.226 -0.026 18531
11264 1 44 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.858 0.042 18531
11265 1 44 . 1 1 10 10 LYS H H 10 9.520 9.520 8.350 1.170 18531
11266 1 44 . 1 1 11 11 THR N N 11 108.900 108.900 111.630 -2.730 18531
11267 1 44 . 1 1 11 11 THR HA H 11 4.360 4.360 4.390 -0.030 18531
11268 1 44 . 1 1 11 11 THR CA C 11 62.000 62.000 61.940 0.060 18531
11269 1 44 . 1 1 11 11 THR CB C 11 69.800 69.800 69.293 0.506 18531
11270 1 44 . 1 1 11 11 THR H H 11 8.790 8.790 8.168 0.622 18531
11271 1 44 . 1 1 12 12 LEU N N 12 125.700 125.700 123.454 2.246 18531
11272 1 44 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.508 -0.068 18531
11273 1 44 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.634 -0.634 18531
11274 1 44 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.216 -1.916 18531
11275 1 44 . 1 1 12 12 LEU H H 12 7.580 7.580 7.530 0.050 18531
11276 1 44 . 1 1 13 13 LYS N N 13 123.500 123.500 124.331 -0.831 18531
11277 1 44 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.648 0.472 18531
11278 1 44 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.261 -2.361 18531
11279 1 44 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.188 1.612 18531
11280 1 44 . 1 1 13 13 LYS H H 13 8.140 8.140 8.535 -0.395 18531
11281 1 44 . 1 1 14 14 GLY N N 14 109.100 109.100 110.010 -0.910 18531
11282 1 44 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.817 0.383 18531
11283 1 44 . 1 1 14 14 GLY H H 14 8.340 8.340 7.819 0.521 18531
11284 1 44 . 1 1 15 15 GLU N N 15 118.200 118.200 119.086 -0.886 18531
11285 1 44 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.872 0.728 18531
11286 1 44 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.725 -1.225 18531
11287 1 44 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.080 0.720 18531
11288 1 44 . 1 1 15 15 GLU H H 15 8.390 8.390 8.482 -0.092 18531
11289 1 44 . 1 1 16 16 THR N N 16 115.600 115.600 119.965 -4.365 18531
11290 1 44 . 1 1 16 16 THR HA H 16 4.730 4.730 4.580 0.150 18531
11291 1 44 . 1 1 16 16 THR CA C 16 60.600 60.600 61.853 -1.253 18531
11292 1 44 . 1 1 16 16 THR CB C 16 69.500 69.500 69.915 -0.415 18531
11293 1 44 . 1 1 16 16 THR H H 16 8.820 8.820 8.369 0.451 18531
11294 1 44 . 1 1 17 17 THR N N 17 111.800 111.800 120.070 -8.270 18531
11295 1 44 . 1 1 17 17 THR HA H 17 5.790 5.790 5.269 0.521 18531
11296 1 44 . 1 1 17 17 THR CA C 17 59.800 59.800 60.497 -0.697 18531
11297 1 44 . 1 1 17 17 THR CB C 17 73.100 73.100 70.559 2.541 18531
11298 1 44 . 1 1 17 17 THR H H 17 8.140 8.140 8.507 -0.367 18531
11299 1 44 . 1 1 18 18 THR N N 18 115.100 115.100 117.428 -2.328 18531
11300 1 44 . 1 1 18 18 THR HA H 18 4.640 4.640 4.694 -0.054 18531
11301 1 44 . 1 1 18 18 THR CA C 18 61.900 61.900 61.133 0.767 18531
11302 1 44 . 1 1 18 18 THR CB C 18 70.000 70.000 70.494 -0.494 18531
11303 1 44 . 1 1 18 18 THR H H 18 8.930 8.930 8.938 -0.008 18531
11304 1 44 . 1 1 19 19 LYS N N 19 124.300 124.300 119.183 5.117 18531
11305 1 44 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.805 0.525 18531
11306 1 44 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.998 0.002 18531
11307 1 44 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.594 -0.794 18531
11308 1 44 . 1 1 19 19 LYS H H 19 7.950 7.950 8.220 -0.270 18531
11309 1 44 . 1 1 20 20 ALA N N 20 124.600 124.600 124.283 0.317 18531
11310 1 44 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.595 0.185 18531
11311 1 44 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.748 -0.848 18531
11312 1 44 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.214 2.586 18531
11313 1 44 . 1 1 20 20 ALA H H 20 9.110 9.110 8.128 0.982 18531
11314 1 44 . 1 1 21 21 VAL N N 21 115.300 115.300 118.616 -3.316 18531
11315 1 44 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.935 0.175 18531
11316 1 44 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.631 -1.331 18531
11317 1 44 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.076 0.124 18531
11318 1 44 . 1 1 21 21 VAL H H 21 8.480 8.480 8.446 0.034 18531
11319 1 44 . 1 1 22 22 ASP N N 22 115.200 115.200 113.659 1.541 18531
11320 1 44 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.930 -0.220 18531
11321 1 44 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.466 -0.066 18531
11322 1 44 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.920 0.280 18531
11323 1 44 . 1 1 22 22 ASP H H 22 7.310 7.310 7.642 -0.332 18531
11324 1 44 . 1 1 23 23 ALA N N 23 121.000 121.000 122.247 -1.247 18531
11325 1 44 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.529 -0.189 18531
11326 1 44 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.985 -0.085 18531
11327 1 44 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.442 -0.942 18531
11328 1 44 . 1 1 23 23 ALA H H 23 8.370 8.370 8.721 -0.351 18531
11329 1 44 . 1 1 24 24 GLU N N 24 118.900 118.900 118.400 0.500 18531
11330 1 44 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.857 0.003 18531
11331 1 44 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.367 0.333 18531
11332 1 44 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.057 0.043 18531
11333 1 44 . 1 1 24 24 GLU H H 24 8.410 8.410 8.205 0.205 18531
11334 1 44 . 1 1 25 25 THR N N 25 117.400 117.400 113.501 3.899 18531
11335 1 44 . 1 1 25 25 THR HA H 25 3.670 3.670 4.112 -0.442 18531
11336 1 44 . 1 1 25 25 THR CA C 25 66.800 66.800 64.205 2.595 18531
11337 1 44 . 1 1 25 25 THR CB C 25 68.000 68.000 68.754 -0.754 18531
11338 1 44 . 1 1 25 25 THR H H 25 8.380 8.380 7.848 0.532 18531
11339 1 44 . 1 1 26 26 ALA N N 26 125.100 125.100 124.328 0.772 18531
11340 1 44 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.679 -0.489 18531
11341 1 44 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.982 0.018 18531
11342 1 44 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.721 -0.422 18531
11343 1 44 . 1 1 26 26 ALA H H 26 7.220 7.220 8.263 -1.043 18531
11344 1 44 . 1 1 27 27 GLU N N 27 117.400 117.400 118.658 -1.258 18531
11345 1 44 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.007 -1.417 18531
11346 1 44 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.794 -0.094 18531
11347 1 44 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.506 -0.306 18531
11348 1 44 . 1 1 27 27 GLU H H 27 8.370 8.370 8.335 0.035 18531
11349 1 44 . 1 1 28 28 LYS N N 28 116.300 116.300 119.048 -2.748 18531
11350 1 44 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.799 -0.129 18531
11351 1 44 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.187 0.413 18531
11352 1 44 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.914 0.286 18531
11353 1 44 . 1 1 28 28 LYS H H 28 7.170 7.170 7.465 -0.295 18531
11354 1 44 . 1 1 29 29 ALA N N 29 122.000 122.000 120.709 1.291 18531
11355 1 44 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.007 0.083 18531
11356 1 44 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.536 0.164 18531
11357 1 44 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.905 -0.405 18531
11358 1 44 . 1 1 29 29 ALA H H 29 7.200 7.200 7.271 -0.071 18531
11359 1 44 . 1 1 30 30 PHE N N 30 119.600 119.600 117.179 2.421 18531
11360 1 44 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.488 0.292 18531
11361 1 44 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.435 -3.835 18531
11362 1 44 . 1 1 30 30 PHE CB C 30 37.400 37.400 39.009 -1.609 18531
11363 1 44 . 1 1 30 30 PHE H H 30 8.610 8.610 7.255 1.355 18531
11364 1 44 . 1 1 31 31 LYS N N 31 122.800 122.800 118.614 4.186 18531
11365 1 44 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.157 -0.067 18531
11366 1 44 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.224 0.476 18531
11367 1 44 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.378 0.222 18531
11368 1 44 . 1 1 31 31 LYS H H 31 9.030 9.030 8.544 0.486 18531
11369 1 44 . 1 1 32 32 GLN N N 32 119.600 119.600 117.574 2.026 18531
11370 1 44 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.215 -0.185 18531
11371 1 44 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.972 0.728 18531
11372 1 44 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.832 -0.732 18531
11373 1 44 . 1 1 32 32 GLN H H 32 7.510 7.510 7.671 -0.161 18531
11374 1 44 . 1 1 33 33 TYR N N 33 120.400 120.400 120.096 0.304 18531
11375 1 44 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.453 -0.203 18531
11376 1 44 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.214 1.586 18531
11377 1 44 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.774 -1.074 18531
11378 1 44 . 1 1 33 33 TYR H H 33 8.080 8.080 8.160 -0.080 18531
11379 1 44 . 1 1 34 34 ALA N N 34 122.300 122.300 121.196 1.104 18531
11380 1 44 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.827 -0.047 18531
11381 1 44 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.584 0.516 18531
11382 1 44 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.214 -0.514 18531
11383 1 44 . 1 1 34 34 ALA H H 34 9.210 9.210 8.151 1.059 18531
11384 1 44 . 1 1 35 35 ASN N N 35 117.700 117.700 115.354 2.346 18531
11385 1 44 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531
11386 1 44 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.758 1.242 18531
11387 1 44 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.338 0.662 18531
11388 1 44 . 1 1 35 35 ASN H H 35 8.390 8.390 8.089 0.301 18531
11389 1 44 . 1 1 36 36 ASP N N 36 121.100 121.100 117.595 3.505 18531
11390 1 44 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.629 -0.269 18531
11391 1 44 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.757 1.944 18531
11392 1 44 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.151 -1.151 18531
11393 1 44 . 1 1 36 36 ASP H H 36 8.830 8.830 7.877 0.953 18531
11394 1 44 . 1 1 37 37 ASN N N 37 115.200 115.200 115.902 -0.702 18531
11395 1 44 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.641 -0.031 18531
11396 1 44 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.291 0.409 18531
11397 1 44 . 1 1 37 37 ASN CB C 37 40.000 40.000 40.175 -0.175 18531
11398 1 44 . 1 1 37 37 ASN H H 37 7.390 7.390 7.535 -0.145 18531
11399 1 44 . 1 1 38 38 GLY N N 38 108.200 108.200 108.492 -0.292 18531
11400 1 44 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.338 1.062 18531
11401 1 44 . 1 1 38 38 GLY H H 38 7.800 7.800 8.024 -0.224 18531
11402 1 44 . 1 1 39 39 VAL N N 39 120.800 120.800 121.477 -0.677 18531
11403 1 44 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.152 -0.012 18531
11404 1 44 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.010 -0.310 18531
11405 1 44 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.827 0.473 18531
11406 1 44 . 1 1 39 39 VAL H H 39 8.120 8.120 8.155 -0.035 18531
11407 1 44 . 1 1 40 40 ASP N N 40 128.000 128.000 126.296 1.704 18531
11408 1 44 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.822 0.068 18531
11409 1 44 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.042 -0.242 18531
11410 1 44 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.257 -1.157 18531
11411 1 44 . 1 1 40 40 ASP H H 40 8.770 8.770 8.365 0.405 18531
11412 1 44 . 1 1 41 41 GLY N N 41 107.100 107.100 111.152 -4.052 18531
11413 1 44 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.370 0.030 18531
11414 1 44 . 1 1 41 41 GLY H H 41 7.910 7.910 8.357 -0.447 18531
11415 1 44 . 1 1 42 42 VAL N N 42 120.300 120.300 122.576 -2.276 18531
11416 1 44 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.213 0.167 18531
11417 1 44 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.311 -0.211 18531
11418 1 44 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.136 0.264 18531
11419 1 44 . 1 1 42 42 VAL H H 42 8.250 8.250 8.387 -0.137 18531
11420 1 44 . 1 1 43 43 TRP N N 43 130.700 130.700 126.400 4.300 18531
11421 1 44 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.096 0.264 18531
11422 1 44 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.810 1.790 18531
11423 1 44 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.928 -0.728 18531
11424 1 44 . 1 1 43 43 TRP H H 43 9.360 9.360 8.501 0.859 18531
11425 1 44 . 1 1 44 44 THR N N 44 114.500 114.500 115.902 -1.402 18531
11426 1 44 . 1 1 44 44 THR HA H 44 4.830 4.830 4.744 0.086 18531
11427 1 44 . 1 1 44 44 THR CA C 44 60.300 60.300 59.702 0.598 18531
11428 1 44 . 1 1 44 44 THR CB C 44 72.100 72.100 71.040 1.060 18531
11429 1 44 . 1 1 44 44 THR H H 44 9.400 9.400 8.187 1.213 18531
11430 1 44 . 1 1 45 45 TYR N N 45 120.100 120.100 119.779 0.321 18531
11431 1 44 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.881 0.089 18531
11432 1 44 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.266 0.734 18531
11433 1 44 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.660 0.940 18531
11434 1 44 . 1 1 45 45 TYR H H 45 8.580 8.580 8.035 0.545 18531
11435 1 44 . 1 1 46 46 ASP N N 46 128.300 128.300 123.458 4.842 18531
11436 1 44 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.484 0.096 18531
11437 1 44 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.515 0.385 18531
11438 1 44 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.362 -0.262 18531
11439 1 44 . 1 1 46 46 ASP H H 46 7.580 7.580 8.463 -0.883 18531
11440 1 44 . 1 1 47 47 ASP N N 47 124.800 124.800 125.151 -0.351 18531
11441 1 44 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.782 -0.672 18531
11442 1 44 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.816 1.683 18531
11443 1 44 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.204 1.896 18531
11444 1 44 . 1 1 47 47 ASP H H 47 8.590 8.590 8.534 0.056 18531
11445 1 44 . 1 1 48 48 ALA N N 48 119.700 119.700 121.447 -1.747 18531
11446 1 44 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.525 -0.435 18531
11447 1 44 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.413 1.587 18531
11448 1 44 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.491 -2.191 18531
11449 1 44 . 1 1 48 48 ALA H H 48 8.340 8.340 8.243 0.097 18531
11450 1 44 . 1 1 49 49 THR N N 49 103.200 103.200 113.740 -10.540 18531
11451 1 44 . 1 1 49 49 THR HA H 49 4.390 4.390 4.580 -0.190 18531
11452 1 44 . 1 1 49 49 THR CA C 49 60.200 60.200 61.550 -1.350 18531
11453 1 44 . 1 1 49 49 THR CB C 49 70.000 70.000 69.567 0.433 18531
11454 1 44 . 1 1 49 49 THR H H 49 7.000 7.000 8.072 -1.072 18531
11455 1 44 . 1 1 50 50 LYS N N 50 123.100 123.100 117.585 5.515 18531
11456 1 44 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.398 -0.208 18531
11457 1 44 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.395 -0.795 18531
11458 1 44 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.947 -1.347 18531
11459 1 44 . 1 1 50 50 LYS H H 50 7.860 7.860 8.083 -0.223 18531
11460 1 44 . 1 1 51 51 THR N N 51 111.200 111.200 115.647 -4.447 18531
11461 1 44 . 1 1 51 51 THR HA H 51 5.490 5.490 4.885 0.605 18531
11462 1 44 . 1 1 51 51 THR CA C 51 62.300 62.300 62.416 -0.116 18531
11463 1 44 . 1 1 51 51 THR CB C 51 72.100 72.100 71.602 0.498 18531
11464 1 44 . 1 1 51 51 THR H H 51 7.390 7.390 7.748 -0.358 18531
11465 1 44 . 1 1 52 52 PHE N N 52 131.000 131.000 127.700 3.300 18531
11466 1 44 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.177 0.453 18531
11467 1 44 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.337 0.963 18531
11468 1 44 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.338 0.262 18531
11469 1 44 . 1 1 52 52 PHE H H 52 10.390 10.390 9.070 1.320 18531
11470 1 44 . 1 1 53 53 THR N N 53 117.400 117.400 120.441 -3.041 18531
11471 1 44 . 1 1 53 53 THR HA H 53 5.270 5.270 5.136 0.134 18531
11472 1 44 . 1 1 53 53 THR CA C 53 61.200 61.200 60.969 0.231 18531
11473 1 44 . 1 1 53 53 THR CB C 53 71.000 71.000 70.449 0.551 18531
11474 1 44 . 1 1 53 53 THR H H 53 9.180 9.180 8.772 0.408 18531
11475 1 44 . 1 1 54 54 VAL N N 54 123.000 123.000 126.424 -3.424 18531
11476 1 44 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.392 0.068 18531
11477 1 44 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.978 -2.878 18531
11478 1 44 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.695 -0.395 18531
11479 1 44 . 1 1 54 54 VAL H H 54 8.280 8.280 9.025 -0.745 18531
11480 1 44 . 1 1 55 55 THR N N 55 123.900 123.900 123.565 0.335 18531
11481 1 44 . 1 1 55 55 THR HA H 55 4.700 4.700 4.428 0.272 18531
11482 1 44 . 1 1 55 55 THR CA C 55 61.200 61.200 62.297 -1.097 18531
11483 1 44 . 1 1 55 55 THR CB C 55 70.700 70.700 69.843 0.857 18531
11484 1 44 . 1 1 55 55 THR H H 55 8.320 8.320 8.030 0.290 18531
11485 1 45 . 1 1 2 2 GLN HA H 2 5.050 5.050 3.919 1.131 18531
11486 1 45 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.061 -0.461 18531
11487 1 45 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.415 2.285 18531
11488 1 45 . 1 1 2 2 GLN H H 2 8.410 8.410 8.247 0.163 18531
11489 1 45 . 1 1 3 3 TYR N N 3 124.000 124.000 121.700 2.300 18531
11490 1 45 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.958 0.402 18531
11491 1 45 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.348 0.752 18531
11492 1 45 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.989 1.611 18531
11493 1 45 . 1 1 3 3 TYR H H 3 9.070 9.070 8.472 0.598 18531
11494 1 45 . 1 1 4 4 LYS N N 4 122.500 122.500 121.337 1.163 18531
11495 1 45 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.692 0.528 18531
11496 1 45 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.055 -0.055 18531
11497 1 45 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.158 -0.158 18531
11498 1 45 . 1 1 4 4 LYS H H 4 9.100 9.100 8.554 0.546 18531
11499 1 45 . 1 1 5 5 LEU N N 5 126.400 126.400 128.479 -2.079 18531
11500 1 45 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.624 0.346 18531
11501 1 45 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.641 -0.841 18531
11502 1 45 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.690 -1.089 18531
11503 1 45 . 1 1 5 5 LEU H H 5 8.620 8.620 8.690 -0.070 18531
11504 1 45 . 1 1 6 6 VAL N N 6 127.000 127.000 128.753 -1.753 18531
11505 1 45 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.214 -0.054 18531
11506 1 45 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.747 0.553 18531
11507 1 45 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.388 0.312 18531
11508 1 45 . 1 1 6 6 VAL H H 6 9.190 9.190 9.146 0.044 18531
11509 1 45 . 1 1 7 7 ILE N N 7 125.400 125.400 127.794 -2.394 18531
11510 1 45 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.447 -0.357 18531
11511 1 45 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.409 0.291 18531
11512 1 45 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.890 -0.890 18531
11513 1 45 . 1 1 7 7 ILE H H 7 8.800 8.800 7.715 1.085 18531
11514 1 45 . 1 1 8 8 ASN N N 8 128.900 128.900 123.342 5.558 18531
11515 1 45 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.982 0.298 18531
11516 1 45 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.688 -1.888 18531
11517 1 45 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.101 -2.001 18531
11518 1 45 . 1 1 8 8 ASN H H 8 8.990 8.990 8.930 0.060 18531
11519 1 45 . 1 1 9 9 GLY N N 9 110.200 110.200 107.407 2.793 18531
11520 1 45 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.751 0.949 18531
11521 1 45 . 1 1 9 9 GLY H H 9 7.920 7.920 8.215 -0.295 18531
11522 1 45 . 1 1 10 10 LYS N N 10 120.700 120.700 121.111 -0.411 18531
11523 1 45 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.207 -0.147 18531
11524 1 45 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.246 0.954 18531
11525 1 45 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.670 0.230 18531
11526 1 45 . 1 1 10 10 LYS H H 10 9.520 9.520 8.689 0.831 18531
11527 1 45 . 1 1 11 11 THR N N 11 108.900 108.900 111.601 -2.701 18531
11528 1 45 . 1 1 11 11 THR HA H 11 4.360 4.360 4.373 -0.013 18531
11529 1 45 . 1 1 11 11 THR CA C 11 62.000 62.000 61.863 0.137 18531
11530 1 45 . 1 1 11 11 THR CB C 11 69.800 69.800 69.825 -0.025 18531
11531 1 45 . 1 1 11 11 THR H H 11 8.790 8.790 7.732 1.058 18531
11532 1 45 . 1 1 12 12 LEU N N 12 125.700 125.700 123.741 1.959 18531
11533 1 45 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.502 -0.062 18531
11534 1 45 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.287 -0.287 18531
11535 1 45 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.985 -1.685 18531
11536 1 45 . 1 1 12 12 LEU H H 12 7.580 7.580 7.496 0.084 18531
11537 1 45 . 1 1 13 13 LYS N N 13 123.500 123.500 124.649 -1.149 18531
11538 1 45 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.596 0.524 18531
11539 1 45 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.997 -2.097 18531
11540 1 45 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.201 1.599 18531
11541 1 45 . 1 1 13 13 LYS H H 13 8.140 8.140 8.539 -0.399 18531
11542 1 45 . 1 1 14 14 GLY N N 14 109.100 109.100 110.542 -1.442 18531
11543 1 45 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.590 0.610 18531
11544 1 45 . 1 1 14 14 GLY H H 14 8.340 8.340 7.988 0.352 18531
11545 1 45 . 1 1 15 15 GLU N N 15 118.200 118.200 119.481 -1.281 18531
11546 1 45 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.855 0.745 18531
11547 1 45 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.735 -1.235 18531
11548 1 45 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.874 0.926 18531
11549 1 45 . 1 1 15 15 GLU H H 15 8.390 8.390 8.460 -0.070 18531
11550 1 45 . 1 1 16 16 THR N N 16 115.600 115.600 122.734 -7.134 18531
11551 1 45 . 1 1 16 16 THR HA H 16 4.730 4.730 4.679 0.050 18531
11552 1 45 . 1 1 16 16 THR CA C 16 60.600 60.600 61.590 -0.991 18531
11553 1 45 . 1 1 16 16 THR CB C 16 69.500 69.500 69.606 -0.106 18531
11554 1 45 . 1 1 16 16 THR H H 16 8.820 8.820 8.578 0.242 18531
11555 1 45 . 1 1 17 17 THR N N 17 111.800 111.800 119.106 -7.306 18531
11556 1 45 . 1 1 17 17 THR HA H 17 5.790 5.790 5.323 0.467 18531
11557 1 45 . 1 1 17 17 THR CA C 17 59.800 59.800 60.240 -0.440 18531
11558 1 45 . 1 1 17 17 THR CB C 17 73.100 73.100 70.886 2.214 18531
11559 1 45 . 1 1 17 17 THR H H 17 8.140 8.140 8.572 -0.432 18531
11560 1 45 . 1 1 18 18 THR N N 18 115.100 115.100 117.330 -2.230 18531
11561 1 45 . 1 1 18 18 THR HA H 18 4.640 4.640 4.684 -0.044 18531
11562 1 45 . 1 1 18 18 THR CA C 18 61.900 61.900 61.440 0.460 18531
11563 1 45 . 1 1 18 18 THR CB C 18 70.000 70.000 69.856 0.144 18531
11564 1 45 . 1 1 18 18 THR H H 18 8.930 8.930 8.827 0.103 18531
11565 1 45 . 1 1 19 19 LYS N N 19 124.300 124.300 119.215 5.085 18531
11566 1 45 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.882 0.448 18531
11567 1 45 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.045 -0.045 18531
11568 1 45 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.971 -1.171 18531
11569 1 45 . 1 1 19 19 LYS H H 19 7.950 7.950 8.372 -0.422 18531
11570 1 45 . 1 1 20 20 ALA N N 20 124.600 124.600 123.858 0.742 18531
11571 1 45 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.550 0.230 18531
11572 1 45 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.517 -0.617 18531
11573 1 45 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.902 1.898 18531
11574 1 45 . 1 1 20 20 ALA H H 20 9.110 9.110 8.084 1.026 18531
11575 1 45 . 1 1 21 21 VAL N N 21 115.300 115.300 119.548 -4.248 18531
11576 1 45 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.929 0.181 18531
11577 1 45 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.144 -1.844 18531
11578 1 45 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.378 0.822 18531
11579 1 45 . 1 1 21 21 VAL H H 21 8.480 8.480 8.537 -0.057 18531
11580 1 45 . 1 1 22 22 ASP N N 22 115.200 115.200 114.343 0.857 18531
11581 1 45 . 1 1 22 22 ASP HA H 22 4.710 4.710 5.022 -0.312 18531
11582 1 45 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.689 -0.289 18531
11583 1 45 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.355 -0.155 18531
11584 1 45 . 1 1 22 22 ASP H H 22 7.310 7.310 7.782 -0.472 18531
11585 1 45 . 1 1 23 23 ALA N N 23 121.000 121.000 122.358 -1.358 18531
11586 1 45 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.244 0.096 18531
11587 1 45 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.351 -0.451 18531
11588 1 45 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.504 -1.004 18531
11589 1 45 . 1 1 23 23 ALA H H 23 8.370 8.370 8.708 -0.338 18531
11590 1 45 . 1 1 24 24 GLU N N 24 118.900 118.900 118.185 0.715 18531
11591 1 45 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.879 -0.019 18531
11592 1 45 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.275 0.425 18531
11593 1 45 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.867 0.233 18531
11594 1 45 . 1 1 24 24 GLU H H 24 8.410 8.410 8.713 -0.303 18531
11595 1 45 . 1 1 25 25 THR N N 25 117.400 117.400 115.555 1.845 18531
11596 1 45 . 1 1 25 25 THR HA H 25 3.670 3.670 4.016 -0.346 18531
11597 1 45 . 1 1 25 25 THR CA C 25 66.800 66.800 66.084 0.716 18531
11598 1 45 . 1 1 25 25 THR CB C 25 68.000 68.000 68.905 -0.905 18531
11599 1 45 . 1 1 25 25 THR H H 25 8.380 8.380 7.647 0.733 18531
11600 1 45 . 1 1 26 26 ALA N N 26 125.100 125.100 124.456 0.644 18531
11601 1 45 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.511 -0.321 18531
11602 1 45 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.896 0.104 18531
11603 1 45 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.501 -0.201 18531
11604 1 45 . 1 1 26 26 ALA H H 26 7.220 7.220 7.595 -0.375 18531
11605 1 45 . 1 1 27 27 GLU N N 27 117.400 117.400 117.480 -0.080 18531
11606 1 45 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.038 -1.448 18531
11607 1 45 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.677 0.023 18531
11608 1 45 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.442 -0.242 18531
11609 1 45 . 1 1 27 27 GLU H H 27 8.370 8.370 8.571 -0.201 18531
11610 1 45 . 1 1 28 28 LYS N N 28 116.300 116.300 118.571 -2.271 18531
11611 1 45 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.006 -0.336 18531
11612 1 45 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.323 1.277 18531
11613 1 45 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.637 -0.437 18531
11614 1 45 . 1 1 28 28 LYS H H 28 7.170 7.170 7.369 -0.199 18531
11615 1 45 . 1 1 29 29 ALA N N 29 122.000 122.000 122.647 -0.647 18531
11616 1 45 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.958 0.132 18531
11617 1 45 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.740 -0.041 18531
11618 1 45 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.154 -0.654 18531
11619 1 45 . 1 1 29 29 ALA H H 29 7.200 7.200 7.494 -0.294 18531
11620 1 45 . 1 1 30 30 PHE N N 30 119.600 119.600 117.070 2.530 18531
11621 1 45 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.326 0.454 18531
11622 1 45 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.722 -4.122 18531
11623 1 45 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.421 -1.021 18531
11624 1 45 . 1 1 30 30 PHE H H 30 8.610 8.610 8.375 0.235 18531
11625 1 45 . 1 1 31 31 LYS N N 31 122.800 122.800 118.602 4.198 18531
11626 1 45 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.002 0.088 18531
11627 1 45 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.688 1.012 18531
11628 1 45 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.564 0.036 18531
11629 1 45 . 1 1 31 31 LYS H H 31 9.030 9.030 7.830 1.200 18531
11630 1 45 . 1 1 32 32 GLN N N 32 119.600 119.600 117.352 2.248 18531
11631 1 45 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.263 -0.234 18531
11632 1 45 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.924 0.776 18531
11633 1 45 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.746 -0.646 18531
11634 1 45 . 1 1 32 32 GLN H H 32 7.510 7.510 7.651 -0.141 18531
11635 1 45 . 1 1 33 33 TYR N N 33 120.400 120.400 120.206 0.194 18531
11636 1 45 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.452 -0.202 18531
11637 1 45 . 1 1 33 33 TYR CA C 33 61.800 61.800 59.591 2.209 18531
11638 1 45 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.602 -0.902 18531
11639 1 45 . 1 1 33 33 TYR H H 33 8.080 8.080 8.058 0.022 18531
11640 1 45 . 1 1 34 34 ALA N N 34 122.300 122.300 121.060 1.240 18531
11641 1 45 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.834 -0.054 18531
11642 1 45 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.971 0.129 18531
11643 1 45 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.434 -0.734 18531
11644 1 45 . 1 1 34 34 ALA H H 34 9.210 9.210 8.141 1.069 18531
11645 1 45 . 1 1 35 35 ASN N N 35 117.700 117.700 116.072 1.628 18531
11646 1 45 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.526 -0.066 18531
11647 1 45 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.601 1.399 18531
11648 1 45 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.340 0.660 18531
11649 1 45 . 1 1 35 35 ASN H H 35 8.390 8.390 8.257 0.133 18531
11650 1 45 . 1 1 36 36 ASP N N 36 121.100 121.100 119.318 1.782 18531
11651 1 45 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.643 -0.283 18531
11652 1 45 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.518 1.182 18531
11653 1 45 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.157 -1.157 18531
11654 1 45 . 1 1 36 36 ASP H H 36 8.830 8.830 8.024 0.806 18531
11655 1 45 . 1 1 37 37 ASN N N 37 115.200 115.200 116.379 -1.179 18531
11656 1 45 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.704 -0.094 18531
11657 1 45 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.945 0.755 18531
11658 1 45 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.022 0.978 18531
11659 1 45 . 1 1 37 37 ASN H H 37 7.390 7.390 7.748 -0.358 18531
11660 1 45 . 1 1 38 38 GLY N N 38 108.200 108.200 109.012 -0.812 18531
11661 1 45 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.708 0.692 18531
11662 1 45 . 1 1 38 38 GLY H H 38 7.800 7.800 7.549 0.251 18531
11663 1 45 . 1 1 39 39 VAL N N 39 120.800 120.800 119.773 1.027 18531
11664 1 45 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.549 -0.409 18531
11665 1 45 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.946 0.754 18531
11666 1 45 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.867 0.433 18531
11667 1 45 . 1 1 39 39 VAL H H 39 8.120 8.120 7.977 0.143 18531
11668 1 45 . 1 1 40 40 ASP N N 40 128.000 128.000 125.340 2.660 18531
11669 1 45 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.892 -0.002 18531
11670 1 45 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.557 -0.757 18531
11671 1 45 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.343 -1.243 18531
11672 1 45 . 1 1 40 40 ASP H H 40 8.770 8.770 8.433 0.337 18531
11673 1 45 . 1 1 41 41 GLY N N 41 107.100 107.100 111.134 -4.034 18531
11674 1 45 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.545 -0.145 18531
11675 1 45 . 1 1 41 41 GLY H H 41 7.910 7.910 8.236 -0.326 18531
11676 1 45 . 1 1 42 42 VAL N N 42 120.300 120.300 122.204 -1.904 18531
11677 1 45 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.276 0.104 18531
11678 1 45 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.465 -0.365 18531
11679 1 45 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.060 0.340 18531
11680 1 45 . 1 1 42 42 VAL H H 42 8.250 8.250 8.409 -0.159 18531
11681 1 45 . 1 1 43 43 TRP N N 43 130.700 130.700 125.774 4.926 18531
11682 1 45 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.291 0.069 18531
11683 1 45 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.023 1.577 18531
11684 1 45 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.792 -0.592 18531
11685 1 45 . 1 1 43 43 TRP H H 43 9.360 9.360 8.358 1.002 18531
11686 1 45 . 1 1 44 44 THR N N 44 114.500 114.500 115.096 -0.596 18531
11687 1 45 . 1 1 44 44 THR HA H 44 4.830 4.830 4.804 0.026 18531
11688 1 45 . 1 1 44 44 THR CA C 44 60.300 60.300 60.416 -0.116 18531
11689 1 45 . 1 1 44 44 THR CB C 44 72.100 72.100 71.024 1.076 18531
11690 1 45 . 1 1 44 44 THR H H 44 9.400 9.400 8.106 1.294 18531
11691 1 45 . 1 1 45 45 TYR N N 45 120.100 120.100 120.358 -0.258 18531
11692 1 45 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.975 -0.005 18531
11693 1 45 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.170 0.830 18531
11694 1 45 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.667 0.933 18531
11695 1 45 . 1 1 45 45 TYR H H 45 8.580 8.580 8.124 0.456 18531
11696 1 45 . 1 1 46 46 ASP N N 46 128.300 128.300 123.475 4.825 18531
11697 1 45 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.415 0.165 18531
11698 1 45 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.022 -0.122 18531
11699 1 45 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.588 -0.488 18531
11700 1 45 . 1 1 46 46 ASP H H 46 7.580 7.580 8.472 -0.892 18531
11701 1 45 . 1 1 47 47 ASP N N 47 124.800 124.800 126.889 -2.089 18531
11702 1 45 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.801 -0.691 18531
11703 1 45 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.346 1.154 18531
11704 1 45 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.063 1.037 18531
11705 1 45 . 1 1 47 47 ASP H H 47 8.590 8.590 8.429 0.161 18531
11706 1 45 . 1 1 48 48 ALA N N 48 119.700 119.700 121.840 -2.140 18531
11707 1 45 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.437 -0.347 18531
11708 1 45 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.045 0.955 18531
11709 1 45 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.087 -1.787 18531
11710 1 45 . 1 1 48 48 ALA H H 48 8.340 8.340 7.988 0.352 18531
11711 1 45 . 1 1 49 49 THR N N 49 103.200 103.200 114.049 -10.849 18531
11712 1 45 . 1 1 49 49 THR HA H 49 4.390 4.390 4.516 -0.126 18531
11713 1 45 . 1 1 49 49 THR CA C 49 60.200 60.200 61.129 -0.929 18531
11714 1 45 . 1 1 49 49 THR CB C 49 70.000 70.000 69.474 0.526 18531
11715 1 45 . 1 1 49 49 THR H H 49 7.000 7.000 8.184 -1.184 18531
11716 1 45 . 1 1 50 50 LYS N N 50 123.100 123.100 117.258 5.842 18531
11717 1 45 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.317 -0.127 18531
11718 1 45 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.419 -0.819 18531
11719 1 45 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.667 -1.067 18531
11720 1 45 . 1 1 50 50 LYS H H 50 7.860 7.860 8.067 -0.207 18531
11721 1 45 . 1 1 51 51 THR N N 51 111.200 111.200 115.427 -4.227 18531
11722 1 45 . 1 1 51 51 THR HA H 51 5.490 5.490 4.950 0.540 18531
11723 1 45 . 1 1 51 51 THR CA C 51 62.300 62.300 62.176 0.124 18531
11724 1 45 . 1 1 51 51 THR CB C 51 72.100 72.100 71.618 0.481 18531
11725 1 45 . 1 1 51 51 THR H H 51 7.390 7.390 7.715 -0.325 18531
11726 1 45 . 1 1 52 52 PHE N N 52 131.000 131.000 126.870 4.130 18531
11727 1 45 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.233 0.397 18531
11728 1 45 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.350 0.950 18531
11729 1 45 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.757 -0.157 18531
11730 1 45 . 1 1 52 52 PHE H H 52 10.390 10.390 9.149 1.242 18531
11731 1 45 . 1 1 53 53 THR N N 53 117.400 117.400 119.355 -1.955 18531
11732 1 45 . 1 1 53 53 THR HA H 53 5.270 5.270 5.177 0.093 18531
11733 1 45 . 1 1 53 53 THR CA C 53 61.200 61.200 61.342 -0.142 18531
11734 1 45 . 1 1 53 53 THR CB C 53 71.000 71.000 71.103 -0.103 18531
11735 1 45 . 1 1 53 53 THR H H 53 9.180 9.180 8.913 0.267 18531
11736 1 45 . 1 1 54 54 VAL N N 54 123.000 123.000 126.773 -3.773 18531
11737 1 45 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.304 0.156 18531
11738 1 45 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.766 -2.666 18531
11739 1 45 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.152 -0.852 18531
11740 1 45 . 1 1 54 54 VAL H H 54 8.280 8.280 9.018 -0.738 18531
11741 1 45 . 1 1 55 55 THR N N 55 123.900 123.900 123.883 0.017 18531
11742 1 45 . 1 1 55 55 THR HA H 55 4.700 4.700 4.456 0.244 18531
11743 1 45 . 1 1 55 55 THR CA C 55 61.200 61.200 62.221 -1.021 18531
11744 1 45 . 1 1 55 55 THR CB C 55 70.700 70.700 69.659 1.041 18531
11745 1 45 . 1 1 55 55 THR H H 55 8.320 8.320 8.051 0.269 18531
11746 1 46 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.958 0.092 18531
11747 1 46 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.462 1.138 18531
11748 1 46 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.017 0.683 18531
11749 1 46 . 1 1 2 2 GLN H H 2 8.410 8.410 8.071 0.339 18531
11750 1 46 . 1 1 3 3 TYR N N 3 124.000 124.000 123.062 0.938 18531
11751 1 46 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.964 0.396 18531
11752 1 46 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.851 0.249 18531
11753 1 46 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.079 1.521 18531
11754 1 46 . 1 1 3 3 TYR H H 3 9.070 9.070 8.990 0.080 18531
11755 1 46 . 1 1 4 4 LYS N N 4 122.500 122.500 121.924 0.576 18531
11756 1 46 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.967 0.253 18531
11757 1 46 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.860 0.140 18531
11758 1 46 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.524 -0.524 18531
11759 1 46 . 1 1 4 4 LYS H H 4 9.100 9.100 8.579 0.521 18531
11760 1 46 . 1 1 5 5 LEU N N 5 126.400 126.400 127.307 -0.907 18531
11761 1 46 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.531 0.439 18531
11762 1 46 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.320 -0.520 18531
11763 1 46 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.627 -1.027 18531
11764 1 46 . 1 1 5 5 LEU H H 5 8.620 8.620 8.460 0.160 18531
11765 1 46 . 1 1 6 6 VAL N N 6 127.000 127.000 127.751 -0.751 18531
11766 1 46 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.182 -0.022 18531
11767 1 46 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.338 0.962 18531
11768 1 46 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.035 0.665 18531
11769 1 46 . 1 1 6 6 VAL H H 6 9.190 9.190 8.534 0.656 18531
11770 1 46 . 1 1 7 7 ILE N N 7 125.400 125.400 128.858 -3.458 18531
11771 1 46 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.489 -0.399 18531
11772 1 46 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.763 -0.063 18531
11773 1 46 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.337 -0.337 18531
11774 1 46 . 1 1 7 7 ILE H H 7 8.800 8.800 7.737 1.063 18531
11775 1 46 . 1 1 8 8 ASN N N 8 128.900 128.900 124.249 4.651 18531
11776 1 46 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.997 0.283 18531
11777 1 46 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.539 -1.739 18531
11778 1 46 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.776 -1.676 18531
11779 1 46 . 1 1 8 8 ASN H H 8 8.990 8.990 8.911 0.079 18531
11780 1 46 . 1 1 9 9 GLY N N 9 110.200 110.200 107.583 2.617 18531
11781 1 46 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.802 0.898 18531
11782 1 46 . 1 1 9 9 GLY H H 9 7.920 7.920 8.342 -0.422 18531
11783 1 46 . 1 1 10 10 LYS N N 10 120.700 120.700 121.714 -1.014 18531
11784 1 46 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.185 -0.125 18531
11785 1 46 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.167 0.033 18531
11786 1 46 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.729 0.171 18531
11787 1 46 . 1 1 10 10 LYS H H 10 9.520 9.520 8.788 0.732 18531
11788 1 46 . 1 1 11 11 THR N N 11 108.900 108.900 109.545 -0.645 18531
11789 1 46 . 1 1 11 11 THR HA H 11 4.360 4.360 4.468 -0.108 18531
11790 1 46 . 1 1 11 11 THR CA C 11 62.000 62.000 61.512 0.488 18531
11791 1 46 . 1 1 11 11 THR CB C 11 69.800 69.800 69.652 0.148 18531
11792 1 46 . 1 1 11 11 THR H H 11 8.790 8.790 7.948 0.842 18531
11793 1 46 . 1 1 12 12 LEU N N 12 125.700 125.700 124.067 1.633 18531
11794 1 46 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.523 -0.083 18531
11795 1 46 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.551 -0.551 18531
11796 1 46 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.309 -2.010 18531
11797 1 46 . 1 1 12 12 LEU H H 12 7.580 7.580 7.064 0.516 18531
11798 1 46 . 1 1 13 13 LYS N N 13 123.500 123.500 124.053 -0.553 18531
11799 1 46 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.648 0.472 18531
11800 1 46 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.138 -2.238 18531
11801 1 46 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.293 1.507 18531
11802 1 46 . 1 1 13 13 LYS H H 13 8.140 8.140 8.504 -0.364 18531
11803 1 46 . 1 1 14 14 GLY N N 14 109.100 109.100 109.164 -0.064 18531
11804 1 46 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.286 0.914 18531
11805 1 46 . 1 1 14 14 GLY H H 14 8.340 8.340 8.000 0.340 18531
11806 1 46 . 1 1 15 15 GLU N N 15 118.200 118.200 119.197 -0.997 18531
11807 1 46 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.916 0.684 18531
11808 1 46 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.491 -0.991 18531
11809 1 46 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.815 0.985 18531
11810 1 46 . 1 1 15 15 GLU H H 15 8.390 8.390 8.439 -0.049 18531
11811 1 46 . 1 1 16 16 THR N N 16 115.600 115.600 117.893 -2.293 18531
11812 1 46 . 1 1 16 16 THR HA H 16 4.730 4.730 4.582 0.148 18531
11813 1 46 . 1 1 16 16 THR CA C 16 60.600 60.600 61.765 -1.165 18531
11814 1 46 . 1 1 16 16 THR CB C 16 69.500 69.500 69.301 0.199 18531
11815 1 46 . 1 1 16 16 THR H H 16 8.820 8.820 8.408 0.412 18531
11816 1 46 . 1 1 17 17 THR N N 17 111.800 111.800 120.059 -8.259 18531
11817 1 46 . 1 1 17 17 THR HA H 17 5.790 5.790 5.607 0.183 18531
11818 1 46 . 1 1 17 17 THR CA C 17 59.800 59.800 60.448 -0.648 18531
11819 1 46 . 1 1 17 17 THR CB C 17 73.100 73.100 70.640 2.460 18531
11820 1 46 . 1 1 17 17 THR H H 17 8.140 8.140 8.321 -0.181 18531
11821 1 46 . 1 1 18 18 THR N N 18 115.100 115.100 118.382 -3.282 18531
11822 1 46 . 1 1 18 18 THR HA H 18 4.640 4.640 4.722 -0.082 18531
11823 1 46 . 1 1 18 18 THR CA C 18 61.900 61.900 61.125 0.775 18531
11824 1 46 . 1 1 18 18 THR CB C 18 70.000 70.000 69.978 0.022 18531
11825 1 46 . 1 1 18 18 THR H H 18 8.930 8.930 9.346 -0.416 18531
11826 1 46 . 1 1 19 19 LYS N N 19 124.300 124.300 119.878 4.422 18531
11827 1 46 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.217 0.113 18531
11828 1 46 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.749 0.251 18531
11829 1 46 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.995 -2.195 18531
11830 1 46 . 1 1 19 19 LYS H H 19 7.950 7.950 8.275 -0.325 18531
11831 1 46 . 1 1 20 20 ALA N N 20 124.600 124.600 124.982 -0.382 18531
11832 1 46 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.690 0.090 18531
11833 1 46 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.753 -0.853 18531
11834 1 46 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.894 1.906 18531
11835 1 46 . 1 1 20 20 ALA H H 20 9.110 9.110 8.082 1.028 18531
11836 1 46 . 1 1 21 21 VAL N N 21 115.300 115.300 116.851 -1.551 18531
11837 1 46 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.920 0.190 18531
11838 1 46 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.071 -1.771 18531
11839 1 46 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.794 0.406 18531
11840 1 46 . 1 1 21 21 VAL H H 21 8.480 8.480 8.382 0.098 18531
11841 1 46 . 1 1 22 22 ASP N N 22 115.200 115.200 115.062 0.138 18531
11842 1 46 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.863 -0.153 18531
11843 1 46 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.282 0.118 18531
11844 1 46 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.349 -0.149 18531
11845 1 46 . 1 1 22 22 ASP H H 22 7.310 7.310 7.771 -0.461 18531
11846 1 46 . 1 1 23 23 ALA N N 23 121.000 121.000 121.606 -0.606 18531
11847 1 46 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.794 -0.454 18531
11848 1 46 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.435 -0.535 18531
11849 1 46 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.606 -1.106 18531
11850 1 46 . 1 1 23 23 ALA H H 23 8.370 8.370 8.711 -0.341 18531
11851 1 46 . 1 1 24 24 GLU N N 24 118.900 118.900 118.791 0.109 18531
11852 1 46 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.913 -0.053 18531
11853 1 46 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.561 0.139 18531
11854 1 46 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.000 0.100 18531
11855 1 46 . 1 1 24 24 GLU H H 24 8.410 8.410 8.699 -0.289 18531
11856 1 46 . 1 1 25 25 THR N N 25 117.400 117.400 116.034 1.366 18531
11857 1 46 . 1 1 25 25 THR HA H 25 3.670 3.670 3.973 -0.303 18531
11858 1 46 . 1 1 25 25 THR CA C 25 66.800 66.800 66.409 0.391 18531
11859 1 46 . 1 1 25 25 THR CB C 25 68.000 68.000 68.488 -0.488 18531
11860 1 46 . 1 1 25 25 THR H H 25 8.380 8.380 8.413 -0.033 18531
11861 1 46 . 1 1 26 26 ALA N N 26 125.100 125.100 123.987 1.113 18531
11862 1 46 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.745 -0.555 18531
11863 1 46 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.933 0.067 18531
11864 1 46 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.925 -0.625 18531
11865 1 46 . 1 1 26 26 ALA H H 26 7.220 7.220 7.431 -0.211 18531
11866 1 46 . 1 1 27 27 GLU N N 27 117.400 117.400 119.554 -2.154 18531
11867 1 46 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.653 -1.063 18531
11868 1 46 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.028 -0.328 18531
11869 1 46 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.524 -0.324 18531
11870 1 46 . 1 1 27 27 GLU H H 27 8.370 8.370 8.733 -0.363 18531
11871 1 46 . 1 1 28 28 LYS N N 28 116.300 116.300 118.867 -2.567 18531
11872 1 46 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.884 -0.214 18531
11873 1 46 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.089 0.511 18531
11874 1 46 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.323 -0.123 18531
11875 1 46 . 1 1 28 28 LYS H H 28 7.170 7.170 7.433 -0.263 18531
11876 1 46 . 1 1 29 29 ALA N N 29 122.000 122.000 122.025 -0.025 18531
11877 1 46 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.031 0.059 18531
11878 1 46 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.749 -0.049 18531
11879 1 46 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.014 -0.514 18531
11880 1 46 . 1 1 29 29 ALA H H 29 7.200 7.200 7.388 -0.188 18531
11881 1 46 . 1 1 30 30 PHE N N 30 119.600 119.600 118.856 0.744 18531
11882 1 46 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.264 0.516 18531
11883 1 46 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.188 -3.588 18531
11884 1 46 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.320 -0.920 18531
11885 1 46 . 1 1 30 30 PHE H H 30 8.610 8.610 8.434 0.176 18531
11886 1 46 . 1 1 31 31 LYS N N 31 122.800 122.800 119.389 3.411 18531
11887 1 46 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.065 0.025 18531
11888 1 46 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.132 0.568 18531
11889 1 46 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.810 -0.210 18531
11890 1 46 . 1 1 31 31 LYS H H 31 9.030 9.030 8.335 0.695 18531
11891 1 46 . 1 1 32 32 GLN N N 32 119.600 119.600 116.856 2.744 18531
11892 1 46 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.251 -0.221 18531
11893 1 46 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.551 1.149 18531
11894 1 46 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.188 -1.088 18531
11895 1 46 . 1 1 32 32 GLN H H 32 7.510 7.510 7.662 -0.152 18531
11896 1 46 . 1 1 33 33 TYR N N 33 120.400 120.400 120.642 -0.242 18531
11897 1 46 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.396 -0.146 18531
11898 1 46 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.580 1.220 18531
11899 1 46 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.533 -0.833 18531
11900 1 46 . 1 1 33 33 TYR H H 33 8.080 8.080 8.234 -0.154 18531
11901 1 46 . 1 1 34 34 ALA N N 34 122.300 122.300 120.933 1.367 18531
11902 1 46 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.831 -0.051 18531
11903 1 46 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.456 0.643 18531
11904 1 46 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.262 -0.562 18531
11905 1 46 . 1 1 34 34 ALA H H 34 9.210 9.210 8.112 1.098 18531
11906 1 46 . 1 1 35 35 ASN N N 35 117.700 117.700 115.839 1.861 18531
11907 1 46 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.483 -0.023 18531
11908 1 46 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.656 1.344 18531
11909 1 46 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.291 0.709 18531
11910 1 46 . 1 1 35 35 ASN H H 35 8.390 8.390 8.070 0.320 18531
11911 1 46 . 1 1 36 36 ASP N N 36 121.100 121.100 117.267 3.833 18531
11912 1 46 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.590 -0.230 18531
11913 1 46 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.849 1.851 18531
11914 1 46 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.327 -1.327 18531
11915 1 46 . 1 1 36 36 ASP H H 36 8.830 8.830 7.846 0.984 18531
11916 1 46 . 1 1 37 37 ASN N N 37 115.200 115.200 117.093 -1.893 18531
11917 1 46 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.774 -0.164 18531
11918 1 46 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.590 1.110 18531
11919 1 46 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.592 0.408 18531
11920 1 46 . 1 1 37 37 ASN H H 37 7.390 7.390 7.841 -0.451 18531
11921 1 46 . 1 1 38 38 GLY N N 38 108.200 108.200 107.848 0.352 18531
11922 1 46 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.552 0.848 18531
11923 1 46 . 1 1 38 38 GLY H H 38 7.800 7.800 7.792 0.008 18531
11924 1 46 . 1 1 39 39 VAL N N 39 120.800 120.800 119.219 1.581 18531
11925 1 46 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.419 -0.279 18531
11926 1 46 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.904 0.796 18531
11927 1 46 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.580 -1.280 18531
11928 1 46 . 1 1 39 39 VAL H H 39 8.120 8.120 7.990 0.130 18531
11929 1 46 . 1 1 40 40 ASP N N 40 128.000 128.000 124.747 3.253 18531
11930 1 46 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.914 -0.024 18531
11931 1 46 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.290 -1.490 18531
11932 1 46 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.587 -1.487 18531
11933 1 46 . 1 1 40 40 ASP H H 40 8.770 8.770 8.785 -0.015 18531
11934 1 46 . 1 1 41 41 GLY N N 41 107.100 107.100 112.006 -4.906 18531
11935 1 46 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.637 -0.237 18531
11936 1 46 . 1 1 41 41 GLY H H 41 7.910 7.910 8.303 -0.393 18531
11937 1 46 . 1 1 42 42 VAL N N 42 120.300 120.300 122.152 -1.852 18531
11938 1 46 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.248 0.132 18531
11939 1 46 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.583 -0.483 18531
11940 1 46 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.157 0.242 18531
11941 1 46 . 1 1 42 42 VAL H H 42 8.250 8.250 8.508 -0.258 18531
11942 1 46 . 1 1 43 43 TRP N N 43 130.700 130.700 125.073 5.627 18531
11943 1 46 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.055 0.305 18531
11944 1 46 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.078 1.522 18531
11945 1 46 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.417 -0.217 18531
11946 1 46 . 1 1 43 43 TRP H H 43 9.360 9.360 8.531 0.829 18531
11947 1 46 . 1 1 44 44 THR N N 44 114.500 114.500 115.075 -0.575 18531
11948 1 46 . 1 1 44 44 THR HA H 44 4.830 4.830 4.634 0.196 18531
11949 1 46 . 1 1 44 44 THR CA C 44 60.300 60.300 61.024 -0.724 18531
11950 1 46 . 1 1 44 44 THR CB C 44 72.100 72.100 70.748 1.352 18531
11951 1 46 . 1 1 44 44 THR H H 44 9.400 9.400 8.192 1.208 18531
11952 1 46 . 1 1 45 45 TYR N N 45 120.100 120.100 120.969 -0.869 18531
11953 1 46 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.688 0.282 18531
11954 1 46 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.414 -0.414 18531
11955 1 46 . 1 1 45 45 TYR CB C 45 41.600 41.600 42.056 -0.456 18531
11956 1 46 . 1 1 45 45 TYR H H 45 8.580 8.580 8.260 0.320 18531
11957 1 46 . 1 1 46 46 ASP N N 46 128.300 128.300 125.673 2.627 18531
11958 1 46 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.494 0.086 18531
11959 1 46 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.146 -0.246 18531
11960 1 46 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.874 -0.774 18531
11961 1 46 . 1 1 46 46 ASP H H 46 7.580 7.580 7.649 -0.069 18531
11962 1 46 . 1 1 47 47 ASP N N 47 124.800 124.800 126.142 -1.342 18531
11963 1 46 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.327 -0.217 18531
11964 1 46 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.627 1.873 18531
11965 1 46 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.647 1.453 18531
11966 1 46 . 1 1 47 47 ASP H H 47 8.590 8.590 8.487 0.103 18531
11967 1 46 . 1 1 48 48 ALA N N 48 119.700 119.700 122.595 -2.895 18531
11968 1 46 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.418 -0.328 18531
11969 1 46 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.753 1.247 18531
11970 1 46 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.097 -1.797 18531
11971 1 46 . 1 1 48 48 ALA H H 48 8.340 8.340 8.228 0.112 18531
11972 1 46 . 1 1 49 49 THR N N 49 103.200 103.200 114.332 -11.132 18531
11973 1 46 . 1 1 49 49 THR HA H 49 4.390 4.390 4.391 -0.001 18531
11974 1 46 . 1 1 49 49 THR CA C 49 60.200 60.200 61.295 -1.095 18531
11975 1 46 . 1 1 49 49 THR CB C 49 70.000 70.000 69.235 0.765 18531
11976 1 46 . 1 1 49 49 THR H H 49 7.000 7.000 7.897 -0.897 18531
11977 1 46 . 1 1 50 50 LYS N N 50 123.100 123.100 117.066 6.034 18531
11978 1 46 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.968 0.222 18531
11979 1 46 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.133 -0.533 18531
11980 1 46 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.672 -1.072 18531
11981 1 46 . 1 1 50 50 LYS H H 50 7.860 7.860 7.808 0.052 18531
11982 1 46 . 1 1 51 51 THR N N 51 111.200 111.200 114.132 -2.932 18531
11983 1 46 . 1 1 51 51 THR HA H 51 5.490 5.490 4.883 0.607 18531
11984 1 46 . 1 1 51 51 THR CA C 51 62.300 62.300 61.543 0.757 18531
11985 1 46 . 1 1 51 51 THR CB C 51 72.100 72.100 71.811 0.288 18531
11986 1 46 . 1 1 51 51 THR H H 51 7.390 7.390 7.296 0.094 18531
11987 1 46 . 1 1 52 52 PHE N N 52 131.000 131.000 125.946 5.054 18531
11988 1 46 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.996 0.634 18531
11989 1 46 . 1 1 52 52 PHE CA C 52 57.300 57.300 59.671 -2.371 18531
11990 1 46 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.212 1.388 18531
11991 1 46 . 1 1 52 52 PHE H H 52 10.390 10.390 8.079 2.311 18531
11992 1 46 . 1 1 53 53 THR N N 53 117.400 117.400 113.656 3.744 18531
11993 1 46 . 1 1 53 53 THR HA H 53 5.270 5.270 4.060 1.210 18531
11994 1 46 . 1 1 53 53 THR CA C 53 61.200 61.200 63.114 -1.914 18531
11995 1 46 . 1 1 53 53 THR CB C 53 71.000 71.000 68.646 2.354 18531
11996 1 46 . 1 1 53 53 THR H H 53 9.180 9.180 8.134 1.046 18531
11997 1 46 . 1 1 54 54 VAL N N 54 123.000 123.000 126.277 -3.277 18531
11998 1 46 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.520 -0.060 18531
11999 1 46 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.289 -2.189 18531
12000 1 46 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.944 -1.644 18531
12001 1 46 . 1 1 54 54 VAL H H 54 8.280 8.280 8.855 -0.575 18531
12002 1 46 . 1 1 55 55 THR N N 55 123.900 123.900 124.165 -0.265 18531
12003 1 46 . 1 1 55 55 THR HA H 55 4.700 4.700 4.571 0.129 18531
12004 1 46 . 1 1 55 55 THR CA C 55 61.200 61.200 60.944 0.256 18531
12005 1 46 . 1 1 55 55 THR CB C 55 70.700 70.700 69.839 0.861 18531
12006 1 46 . 1 1 55 55 THR H H 55 8.320 8.320 8.137 0.183 18531
12007 1 47 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.571 0.479 18531
12008 1 47 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.883 -0.283 18531
12009 1 47 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.426 -0.726 18531
12010 1 47 . 1 1 2 2 GLN H H 2 8.410 8.410 7.850 0.560 18531
12011 1 47 . 1 1 3 3 TYR N N 3 124.000 124.000 122.862 1.138 18531
12012 1 47 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.046 0.314 18531
12013 1 47 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.609 0.491 18531
12014 1 47 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.435 2.164 18531
12015 1 47 . 1 1 3 3 TYR H H 3 9.070 9.070 8.411 0.659 18531
12016 1 47 . 1 1 4 4 LYS N N 4 122.500 122.500 121.407 1.093 18531
12017 1 47 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.678 0.542 18531
12018 1 47 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.746 0.254 18531
12019 1 47 . 1 1 4 4 LYS CB C 4 36.000 36.000 34.605 1.395 18531
12020 1 47 . 1 1 4 4 LYS H H 4 9.100 9.100 8.510 0.590 18531
12021 1 47 . 1 1 5 5 LEU N N 5 126.400 126.400 129.726 -3.326 18531
12022 1 47 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.973 -0.003 18531
12023 1 47 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.402 -0.602 18531
12024 1 47 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.219 -0.619 18531
12025 1 47 . 1 1 5 5 LEU H H 5 8.620 8.620 8.318 0.302 18531
12026 1 47 . 1 1 6 6 VAL N N 6 127.000 127.000 127.170 -0.170 18531
12027 1 47 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.502 -0.342 18531
12028 1 47 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.984 0.316 18531
12029 1 47 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.776 -0.076 18531
12030 1 47 . 1 1 6 6 VAL H H 6 9.190 9.190 8.888 0.302 18531
12031 1 47 . 1 1 7 7 ILE N N 7 125.400 125.400 127.564 -2.164 18531
12032 1 47 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.403 -0.313 18531
12033 1 47 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.383 0.317 18531
12034 1 47 . 1 1 7 7 ILE CB C 7 39.000 39.000 40.252 -1.252 18531
12035 1 47 . 1 1 7 7 ILE H H 7 8.800 8.800 7.788 1.012 18531
12036 1 47 . 1 1 8 8 ASN N N 8 128.900 128.900 125.433 3.467 18531
12037 1 47 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.017 0.263 18531
12038 1 47 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.413 -1.613 18531
12039 1 47 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.439 -1.339 18531
12040 1 47 . 1 1 8 8 ASN H H 8 8.990 8.990 8.803 0.187 18531
12041 1 47 . 1 1 9 9 GLY N N 9 110.200 110.200 107.122 3.078 18531
12042 1 47 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.599 1.101 18531
12043 1 47 . 1 1 9 9 GLY H H 9 7.920 7.920 7.578 0.342 18531
12044 1 47 . 1 1 10 10 LYS N N 10 120.700 120.700 120.884 -0.184 18531
12045 1 47 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.075 -0.015 18531
12046 1 47 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.961 0.239 18531
12047 1 47 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.473 0.427 18531
12048 1 47 . 1 1 10 10 LYS H H 10 9.520 9.520 8.558 0.962 18531
12049 1 47 . 1 1 11 11 THR N N 11 108.900 108.900 109.596 -0.696 18531
12050 1 47 . 1 1 11 11 THR HA H 11 4.360 4.360 4.281 0.079 18531
12051 1 47 . 1 1 11 11 THR CA C 11 62.000 62.000 61.823 0.177 18531
12052 1 47 . 1 1 11 11 THR CB C 11 69.800 69.800 69.355 0.445 18531
12053 1 47 . 1 1 11 11 THR H H 11 8.790 8.790 7.930 0.860 18531
12054 1 47 . 1 1 12 12 LEU N N 12 125.700 125.700 123.838 1.862 18531
12055 1 47 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.438 0.002 18531
12056 1 47 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.126 -0.126 18531
12057 1 47 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.928 0.372 18531
12058 1 47 . 1 1 12 12 LEU H H 12 7.580 7.580 7.870 -0.290 18531
12059 1 47 . 1 1 13 13 LYS N N 13 123.500 123.500 125.602 -2.102 18531
12060 1 47 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.570 0.550 18531
12061 1 47 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.421 -2.521 18531
12062 1 47 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.433 1.367 18531
12063 1 47 . 1 1 13 13 LYS H H 13 8.140 8.140 8.540 -0.400 18531
12064 1 47 . 1 1 14 14 GLY N N 14 109.100 109.100 109.386 -0.286 18531
12065 1 47 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.127 1.073 18531
12066 1 47 . 1 1 14 14 GLY H H 14 8.340 8.340 8.009 0.331 18531
12067 1 47 . 1 1 15 15 GLU N N 15 118.200 118.200 119.437 -1.237 18531
12068 1 47 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.124 0.476 18531
12069 1 47 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.741 -0.241 18531
12070 1 47 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.926 0.874 18531
12071 1 47 . 1 1 15 15 GLU H H 15 8.390 8.390 8.468 -0.078 18531
12072 1 47 . 1 1 16 16 THR N N 16 115.600 115.600 116.993 -1.393 18531
12073 1 47 . 1 1 16 16 THR HA H 16 4.730 4.730 4.512 0.218 18531
12074 1 47 . 1 1 16 16 THR CA C 16 60.600 60.600 61.865 -1.266 18531
12075 1 47 . 1 1 16 16 THR CB C 16 69.500 69.500 69.829 -0.329 18531
12076 1 47 . 1 1 16 16 THR H H 16 8.820 8.820 8.321 0.499 18531
12077 1 47 . 1 1 17 17 THR N N 17 111.800 111.800 117.331 -5.531 18531
12078 1 47 . 1 1 17 17 THR HA H 17 5.790 5.790 5.190 0.600 18531
12079 1 47 . 1 1 17 17 THR CA C 17 59.800 59.800 60.212 -0.412 18531
12080 1 47 . 1 1 17 17 THR CB C 17 73.100 73.100 70.905 2.195 18531
12081 1 47 . 1 1 17 17 THR H H 17 8.140 8.140 8.294 -0.154 18531
12082 1 47 . 1 1 18 18 THR N N 18 115.100 115.100 117.381 -2.281 18531
12083 1 47 . 1 1 18 18 THR HA H 18 4.640 4.640 4.611 0.029 18531
12084 1 47 . 1 1 18 18 THR CA C 18 61.900 61.900 61.615 0.285 18531
12085 1 47 . 1 1 18 18 THR CB C 18 70.000 70.000 69.955 0.045 18531
12086 1 47 . 1 1 18 18 THR H H 18 8.930 8.930 8.491 0.439 18531
12087 1 47 . 1 1 19 19 LYS N N 19 124.300 124.300 120.785 3.515 18531
12088 1 47 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.762 0.568 18531
12089 1 47 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.277 -0.277 18531
12090 1 47 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.619 0.181 18531
12091 1 47 . 1 1 19 19 LYS H H 19 7.950 7.950 8.353 -0.403 18531
12092 1 47 . 1 1 20 20 ALA N N 20 124.600 124.600 126.309 -1.709 18531
12093 1 47 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.644 0.136 18531
12094 1 47 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.627 -0.727 18531
12095 1 47 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.131 2.669 18531
12096 1 47 . 1 1 20 20 ALA H H 20 9.110 9.110 8.166 0.944 18531
12097 1 47 . 1 1 21 21 VAL N N 21 115.300 115.300 118.198 -2.898 18531
12098 1 47 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.891 0.219 18531
12099 1 47 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.504 -1.204 18531
12100 1 47 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.155 0.045 18531
12101 1 47 . 1 1 21 21 VAL H H 21 8.480 8.480 8.543 -0.063 18531
12102 1 47 . 1 1 22 22 ASP N N 22 115.200 115.200 113.496 1.704 18531
12103 1 47 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.930 -0.220 18531
12104 1 47 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.636 -0.236 18531
12105 1 47 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.973 0.227 18531
12106 1 47 . 1 1 22 22 ASP H H 22 7.310 7.310 7.579 -0.269 18531
12107 1 47 . 1 1 23 23 ALA N N 23 121.000 121.000 122.001 -1.001 18531
12108 1 47 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.517 -0.177 18531
12109 1 47 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.983 -0.083 18531
12110 1 47 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.296 -0.796 18531
12111 1 47 . 1 1 23 23 ALA H H 23 8.370 8.370 8.843 -0.473 18531
12112 1 47 . 1 1 24 24 GLU N N 24 118.900 118.900 118.976 -0.076 18531
12113 1 47 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.933 -0.073 18531
12114 1 47 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.435 0.265 18531
12115 1 47 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.120 -0.020 18531
12116 1 47 . 1 1 24 24 GLU H H 24 8.410 8.410 8.266 0.144 18531
12117 1 47 . 1 1 25 25 THR N N 25 117.400 117.400 113.543 3.857 18531
12118 1 47 . 1 1 25 25 THR HA H 25 3.670 3.670 4.149 -0.479 18531
12119 1 47 . 1 1 25 25 THR CA C 25 66.800 66.800 63.619 3.181 18531
12120 1 47 . 1 1 25 25 THR CB C 25 68.000 68.000 68.764 -0.764 18531
12121 1 47 . 1 1 25 25 THR H H 25 8.380 8.380 7.873 0.507 18531
12122 1 47 . 1 1 26 26 ALA N N 26 125.100 125.100 124.452 0.648 18531
12123 1 47 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.593 -0.403 18531
12124 1 47 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.675 0.325 18531
12125 1 47 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.583 -0.283 18531
12126 1 47 . 1 1 26 26 ALA H H 26 7.220 7.220 8.157 -0.937 18531
12127 1 47 . 1 1 27 27 GLU N N 27 117.400 117.400 118.331 -0.931 18531
12128 1 47 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.592 -1.002 18531
12129 1 47 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.352 0.347 18531
12130 1 47 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.349 -0.149 18531
12131 1 47 . 1 1 27 27 GLU H H 27 8.370 8.370 8.063 0.307 18531
12132 1 47 . 1 1 28 28 LYS N N 28 116.300 116.300 118.303 -2.003 18531
12133 1 47 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.850 -0.180 18531
12134 1 47 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.891 0.709 18531
12135 1 47 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.170 0.030 18531
12136 1 47 . 1 1 28 28 LYS H H 28 7.170 7.170 7.579 -0.409 18531
12137 1 47 . 1 1 29 29 ALA N N 29 122.000 122.000 120.692 1.308 18531
12138 1 47 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.004 0.086 18531
12139 1 47 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.526 0.174 18531
12140 1 47 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.972 -0.472 18531
12141 1 47 . 1 1 29 29 ALA H H 29 7.200 7.200 7.321 -0.121 18531
12142 1 47 . 1 1 30 30 PHE N N 30 119.600 119.600 117.120 2.480 18531
12143 1 47 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.381 0.399 18531
12144 1 47 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.093 -2.493 18531
12145 1 47 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.208 -0.808 18531
12146 1 47 . 1 1 30 30 PHE H H 30 8.610 8.610 7.129 1.481 18531
12147 1 47 . 1 1 31 31 LYS N N 31 122.800 122.800 117.871 4.929 18531
12148 1 47 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.921 0.169 18531
12149 1 47 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.135 0.565 18531
12150 1 47 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.559 0.041 18531
12151 1 47 . 1 1 31 31 LYS H H 31 9.030 9.030 8.055 0.975 18531
12152 1 47 . 1 1 32 32 GLN N N 32 119.600 119.600 117.479 2.121 18531
12153 1 47 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.215 -0.185 18531
12154 1 47 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.362 0.338 18531
12155 1 47 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.945 -0.845 18531
12156 1 47 . 1 1 32 32 GLN H H 32 7.510 7.510 7.683 -0.173 18531
12157 1 47 . 1 1 33 33 TYR N N 33 120.400 120.400 121.764 -1.364 18531
12158 1 47 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.256 -0.006 18531
12159 1 47 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.180 0.620 18531
12160 1 47 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.774 -0.074 18531
12161 1 47 . 1 1 33 33 TYR H H 33 8.080 8.080 8.085 -0.005 18531
12162 1 47 . 1 1 34 34 ALA N N 34 122.300 122.300 121.035 1.265 18531
12163 1 47 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.853 -0.073 18531
12164 1 47 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.845 0.255 18531
12165 1 47 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.232 -0.532 18531
12166 1 47 . 1 1 34 34 ALA H H 34 9.210 9.210 8.500 0.710 18531
12167 1 47 . 1 1 35 35 ASN N N 35 117.700 117.700 116.046 1.654 18531
12168 1 47 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.522 -0.062 18531
12169 1 47 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.652 1.348 18531
12170 1 47 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.281 0.720 18531
12171 1 47 . 1 1 35 35 ASN H H 35 8.390 8.390 8.142 0.248 18531
12172 1 47 . 1 1 36 36 ASP N N 36 121.100 121.100 118.839 2.261 18531
12173 1 47 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.695 -0.335 18531
12174 1 47 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.766 1.934 18531
12175 1 47 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.218 -1.218 18531
12176 1 47 . 1 1 36 36 ASP H H 36 8.830 8.830 8.023 0.807 18531
12177 1 47 . 1 1 37 37 ASN N N 37 115.200 115.200 116.308 -1.108 18531
12178 1 47 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.811 -0.201 18531
12179 1 47 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.520 1.180 18531
12180 1 47 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.312 0.688 18531
12181 1 47 . 1 1 37 37 ASN H H 37 7.390 7.390 7.663 -0.273 18531
12182 1 47 . 1 1 38 38 GLY N N 38 108.200 108.200 108.890 -0.690 18531
12183 1 47 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.994 0.406 18531
12184 1 47 . 1 1 38 38 GLY H H 38 7.800 7.800 7.639 0.161 18531
12185 1 47 . 1 1 39 39 VAL N N 39 120.800 120.800 119.196 1.604 18531
12186 1 47 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.481 -0.341 18531
12187 1 47 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.262 0.438 18531
12188 1 47 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.004 -0.704 18531
12189 1 47 . 1 1 39 39 VAL H H 39 8.120 8.120 7.851 0.269 18531
12190 1 47 . 1 1 40 40 ASP N N 40 128.000 128.000 124.362 3.638 18531
12191 1 47 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.893 -0.003 18531
12192 1 47 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.971 -1.171 18531
12193 1 47 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.254 -1.154 18531
12194 1 47 . 1 1 40 40 ASP H H 40 8.770 8.770 8.527 0.243 18531
12195 1 47 . 1 1 41 41 GLY N N 41 107.100 107.100 110.906 -3.806 18531
12196 1 47 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.587 -0.187 18531
12197 1 47 . 1 1 41 41 GLY H H 41 7.910 7.910 8.367 -0.457 18531
12198 1 47 . 1 1 42 42 VAL N N 42 120.300 120.300 121.550 -1.250 18531
12199 1 47 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.483 -0.103 18531
12200 1 47 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.500 0.600 18531
12201 1 47 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.356 0.044 18531
12202 1 47 . 1 1 42 42 VAL H H 42 8.250 8.250 8.341 -0.091 18531
12203 1 47 . 1 1 43 43 TRP N N 43 130.700 130.700 123.185 7.515 18531
12204 1 47 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.485 -0.125 18531
12205 1 47 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.790 1.810 18531
12206 1 47 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.010 -0.810 18531
12207 1 47 . 1 1 43 43 TRP H H 43 9.360 9.360 8.330 1.030 18531
12208 1 47 . 1 1 44 44 THR N N 44 114.500 114.500 119.117 -4.617 18531
12209 1 47 . 1 1 44 44 THR HA H 44 4.830 4.830 4.531 0.299 18531
12210 1 47 . 1 1 44 44 THR CA C 44 60.300 60.300 61.409 -1.109 18531
12211 1 47 . 1 1 44 44 THR CB C 44 72.100 72.100 69.055 3.045 18531
12212 1 47 . 1 1 44 44 THR H H 44 9.400 9.400 8.483 0.917 18531
12213 1 47 . 1 1 45 45 TYR N N 45 120.100 120.100 128.870 -8.770 18531
12214 1 47 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.952 0.018 18531
12215 1 47 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.002 1.998 18531
12216 1 47 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.806 0.794 18531
12217 1 47 . 1 1 45 45 TYR H H 45 8.580 8.580 8.326 0.254 18531
12218 1 47 . 1 1 46 46 ASP N N 46 128.300 128.300 126.750 1.550 18531
12219 1 47 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.468 0.112 18531
12220 1 47 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.583 0.317 18531
12221 1 47 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.732 -0.632 18531
12222 1 47 . 1 1 46 46 ASP H H 46 7.580 7.580 7.853 -0.273 18531
12223 1 47 . 1 1 47 47 ASP N N 47 124.800 124.800 124.172 0.628 18531
12224 1 47 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.532 -0.422 18531
12225 1 47 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.957 1.543 18531
12226 1 47 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.577 1.523 18531
12227 1 47 . 1 1 47 47 ASP H H 47 8.590 8.590 8.459 0.131 18531
12228 1 47 . 1 1 48 48 ALA N N 48 119.700 119.700 121.575 -1.875 18531
12229 1 47 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.399 -0.309 18531
12230 1 47 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.474 1.526 18531
12231 1 47 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.891 -1.591 18531
12232 1 47 . 1 1 48 48 ALA H H 48 8.340 8.340 7.629 0.711 18531
12233 1 47 . 1 1 49 49 THR N N 49 103.200 103.200 113.923 -10.723 18531
12234 1 47 . 1 1 49 49 THR HA H 49 4.390 4.390 4.405 -0.015 18531
12235 1 47 . 1 1 49 49 THR CA C 49 60.200 60.200 60.858 -0.658 18531
12236 1 47 . 1 1 49 49 THR CB C 49 70.000 70.000 68.858 1.142 18531
12237 1 47 . 1 1 49 49 THR H H 49 7.000 7.000 8.134 -1.134 18531
12238 1 47 . 1 1 50 50 LYS N N 50 123.100 123.100 117.873 5.227 18531
12239 1 47 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.379 -0.189 18531
12240 1 47 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.173 -0.573 18531
12241 1 47 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.449 -0.849 18531
12242 1 47 . 1 1 50 50 LYS H H 50 7.860 7.860 7.833 0.027 18531
12243 1 47 . 1 1 51 51 THR N N 51 111.200 111.200 116.271 -5.071 18531
12244 1 47 . 1 1 51 51 THR HA H 51 5.490 5.490 4.731 0.759 18531
12245 1 47 . 1 1 51 51 THR CA C 51 62.300 62.300 62.529 -0.229 18531
12246 1 47 . 1 1 51 51 THR CB C 51 72.100 72.100 71.671 0.429 18531
12247 1 47 . 1 1 51 51 THR H H 51 7.390 7.390 7.704 -0.314 18531
12248 1 47 . 1 1 52 52 PHE N N 52 131.000 131.000 128.176 2.824 18531
12249 1 47 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.313 0.317 18531
12250 1 47 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.482 0.818 18531
12251 1 47 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.129 1.471 18531
12252 1 47 . 1 1 52 52 PHE H H 52 10.390 10.390 9.359 1.031 18531
12253 1 47 . 1 1 53 53 THR N N 53 117.400 117.400 121.271 -3.871 18531
12254 1 47 . 1 1 53 53 THR HA H 53 5.270 5.270 5.179 0.090 18531
12255 1 47 . 1 1 53 53 THR CA C 53 61.200 61.200 61.486 -0.286 18531
12256 1 47 . 1 1 53 53 THR CB C 53 71.000 71.000 70.312 0.688 18531
12257 1 47 . 1 1 53 53 THR H H 53 9.180 9.180 8.522 0.658 18531
12258 1 47 . 1 1 54 54 VAL N N 54 123.000 123.000 126.676 -3.676 18531
12259 1 47 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.480 -0.020 18531
12260 1 47 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.361 -2.261 18531
12261 1 47 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.051 0.249 18531
12262 1 47 . 1 1 54 54 VAL H H 54 8.280 8.280 8.968 -0.688 18531
12263 1 47 . 1 1 55 55 THR N N 55 123.900 123.900 122.976 0.924 18531
12264 1 47 . 1 1 55 55 THR HA H 55 4.700 4.700 4.458 0.242 18531
12265 1 47 . 1 1 55 55 THR CA C 55 61.200 61.200 60.865 0.335 18531
12266 1 47 . 1 1 55 55 THR CB C 55 70.700 70.700 69.879 0.821 18531
12267 1 47 . 1 1 55 55 THR H H 55 8.320 8.320 8.185 0.135 18531
12268 1 48 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.956 0.094 18531
12269 1 48 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.964 0.636 18531
12270 1 48 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.777 -1.077 18531
12271 1 48 . 1 1 2 2 GLN H H 2 8.410 8.410 7.837 0.573 18531
12272 1 48 . 1 1 3 3 TYR N N 3 124.000 124.000 122.634 1.366 18531
12273 1 48 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.974 0.386 18531
12274 1 48 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.325 0.775 18531
12275 1 48 . 1 1 3 3 TYR CB C 3 43.600 43.600 43.085 0.515 18531
12276 1 48 . 1 1 3 3 TYR H H 3 9.070 9.070 9.381 -0.311 18531
12277 1 48 . 1 1 4 4 LYS N N 4 122.500 122.500 121.317 1.183 18531
12278 1 48 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.775 0.445 18531
12279 1 48 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.783 0.217 18531
12280 1 48 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.344 -0.344 18531
12281 1 48 . 1 1 4 4 LYS H H 4 9.100 9.100 8.700 0.400 18531
12282 1 48 . 1 1 5 5 LEU N N 5 126.400 126.400 128.988 -2.588 18531
12283 1 48 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.783 0.187 18531
12284 1 48 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.183 -0.383 18531
12285 1 48 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.312 0.288 18531
12286 1 48 . 1 1 5 5 LEU H H 5 8.620 8.620 8.602 0.018 18531
12287 1 48 . 1 1 6 6 VAL N N 6 127.000 127.000 129.042 -2.042 18531
12288 1 48 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.152 0.008 18531
12289 1 48 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.512 -0.212 18531
12290 1 48 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.465 1.235 18531
12291 1 48 . 1 1 6 6 VAL H H 6 9.190 9.190 9.086 0.104 18531
12292 1 48 . 1 1 7 7 ILE N N 7 125.400 125.400 128.591 -3.191 18531
12293 1 48 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.363 -0.273 18531
12294 1 48 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.639 0.061 18531
12295 1 48 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.477 -0.477 18531
12296 1 48 . 1 1 7 7 ILE H H 7 8.800 8.800 7.708 1.092 18531
12297 1 48 . 1 1 8 8 ASN N N 8 128.900 128.900 124.864 4.036 18531
12298 1 48 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.002 0.278 18531
12299 1 48 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.399 -1.599 18531
12300 1 48 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.802 -1.702 18531
12301 1 48 . 1 1 8 8 ASN H H 8 8.990 8.990 8.335 0.655 18531
12302 1 48 . 1 1 9 9 GLY N N 9 110.200 110.200 107.591 2.609 18531
12303 1 48 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.296 0.404 18531
12304 1 48 . 1 1 9 9 GLY H H 9 7.920 7.920 7.739 0.181 18531
12305 1 48 . 1 1 10 10 LYS N N 10 120.700 120.700 119.899 0.801 18531
12306 1 48 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.157 -0.097 18531
12307 1 48 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.499 0.701 18531
12308 1 48 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.732 0.168 18531
12309 1 48 . 1 1 10 10 LYS H H 10 9.520 9.520 8.693 0.827 18531
12310 1 48 . 1 1 11 11 THR N N 11 108.900 108.900 108.801 0.099 18531
12311 1 48 . 1 1 11 11 THR HA H 11 4.360 4.360 4.335 0.025 18531
12312 1 48 . 1 1 11 11 THR CA C 11 62.000 62.000 62.534 -0.534 18531
12313 1 48 . 1 1 11 11 THR CB C 11 69.800 69.800 68.893 0.907 18531
12314 1 48 . 1 1 11 11 THR H H 11 8.790 8.790 7.503 1.287 18531
12315 1 48 . 1 1 12 12 LEU N N 12 125.700 125.700 124.715 0.985 18531
12316 1 48 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.468 -0.028 18531
12317 1 48 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.548 0.452 18531
12318 1 48 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.517 0.783 18531
12319 1 48 . 1 1 12 12 LEU H H 12 7.580 7.580 7.889 -0.309 18531
12320 1 48 . 1 1 13 13 LYS N N 13 123.500 123.500 124.109 -0.609 18531
12321 1 48 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.553 0.567 18531
12322 1 48 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.562 -1.662 18531
12323 1 48 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.388 -0.588 18531
12324 1 48 . 1 1 13 13 LYS H H 13 8.140 8.140 8.523 -0.383 18531
12325 1 48 . 1 1 14 14 GLY N N 14 109.100 109.100 110.104 -1.004 18531
12326 1 48 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.684 -0.484 18531
12327 1 48 . 1 1 14 14 GLY H H 14 8.340 8.340 8.527 -0.187 18531
12328 1 48 . 1 1 15 15 GLU N N 15 118.200 118.200 120.598 -2.398 18531
12329 1 48 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.088 0.512 18531
12330 1 48 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.161 -0.661 18531
12331 1 48 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.039 0.761 18531
12332 1 48 . 1 1 15 15 GLU H H 15 8.390 8.390 8.450 -0.060 18531
12333 1 48 . 1 1 16 16 THR N N 16 115.600 115.600 119.968 -4.368 18531
12334 1 48 . 1 1 16 16 THR HA H 16 4.730 4.730 4.630 0.100 18531
12335 1 48 . 1 1 16 16 THR CA C 16 60.600 60.600 60.957 -0.357 18531
12336 1 48 . 1 1 16 16 THR CB C 16 69.500 69.500 68.937 0.563 18531
12337 1 48 . 1 1 16 16 THR H H 16 8.820 8.820 8.440 0.380 18531
12338 1 48 . 1 1 17 17 THR N N 17 111.800 111.800 119.123 -7.323 18531
12339 1 48 . 1 1 17 17 THR HA H 17 5.790 5.790 5.436 0.354 18531
12340 1 48 . 1 1 17 17 THR CA C 17 59.800 59.800 60.605 -0.805 18531
12341 1 48 . 1 1 17 17 THR CB C 17 73.100 73.100 70.741 2.359 18531
12342 1 48 . 1 1 17 17 THR H H 17 8.140 8.140 8.455 -0.315 18531
12343 1 48 . 1 1 18 18 THR N N 18 115.100 115.100 116.655 -1.555 18531
12344 1 48 . 1 1 18 18 THR HA H 18 4.640 4.640 4.661 -0.021 18531
12345 1 48 . 1 1 18 18 THR CA C 18 61.900 61.900 61.074 0.826 18531
12346 1 48 . 1 1 18 18 THR CB C 18 70.000 70.000 70.237 -0.237 18531
12347 1 48 . 1 1 18 18 THR H H 18 8.930 8.930 9.070 -0.140 18531
12348 1 48 . 1 1 19 19 LYS N N 19 124.300 124.300 119.755 4.545 18531
12349 1 48 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.987 0.343 18531
12350 1 48 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.329 -0.329 18531
12351 1 48 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.016 -1.216 18531
12352 1 48 . 1 1 19 19 LYS H H 19 7.950 7.950 8.381 -0.431 18531
12353 1 48 . 1 1 20 20 ALA N N 20 124.600 124.600 123.648 0.952 18531
12354 1 48 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.622 0.158 18531
12355 1 48 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.901 -1.001 18531
12356 1 48 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.575 2.225 18531
12357 1 48 . 1 1 20 20 ALA H H 20 9.110 9.110 8.027 1.083 18531
12358 1 48 . 1 1 21 21 VAL N N 21 115.300 115.300 116.283 -0.983 18531
12359 1 48 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.963 0.147 18531
12360 1 48 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.487 -1.187 18531
12361 1 48 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.040 0.160 18531
12362 1 48 . 1 1 21 21 VAL H H 21 8.480 8.480 8.505 -0.025 18531
12363 1 48 . 1 1 22 22 ASP N N 22 115.200 115.200 114.943 0.257 18531
12364 1 48 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.911 -0.201 18531
12365 1 48 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.758 -0.358 18531
12366 1 48 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.996 0.204 18531
12367 1 48 . 1 1 22 22 ASP H H 22 7.310 7.310 7.691 -0.381 18531
12368 1 48 . 1 1 23 23 ALA N N 23 121.000 121.000 122.509 -1.509 18531
12369 1 48 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.600 -0.260 18531
12370 1 48 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.850 0.050 18531
12371 1 48 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.617 -1.117 18531
12372 1 48 . 1 1 23 23 ALA H H 23 8.370 8.370 8.691 -0.321 18531
12373 1 48 . 1 1 24 24 GLU N N 24 118.900 118.900 118.850 0.050 18531
12374 1 48 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.875 -0.015 18531
12375 1 48 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.718 -0.018 18531
12376 1 48 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.046 0.054 18531
12377 1 48 . 1 1 24 24 GLU H H 24 8.410 8.410 8.360 0.050 18531
12378 1 48 . 1 1 25 25 THR N N 25 117.400 117.400 113.519 3.881 18531
12379 1 48 . 1 1 25 25 THR HA H 25 3.670 3.670 4.144 -0.474 18531
12380 1 48 . 1 1 25 25 THR CA C 25 66.800 66.800 63.880 2.920 18531
12381 1 48 . 1 1 25 25 THR CB C 25 68.000 68.000 68.762 -0.762 18531
12382 1 48 . 1 1 25 25 THR H H 25 8.380 8.380 7.960 0.420 18531
12383 1 48 . 1 1 26 26 ALA N N 26 125.100 125.100 124.383 0.717 18531
12384 1 48 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.677 -0.487 18531
12385 1 48 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.633 0.367 18531
12386 1 48 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.640 -0.340 18531
12387 1 48 . 1 1 26 26 ALA H H 26 7.220 7.220 7.812 -0.592 18531
12388 1 48 . 1 1 27 27 GLU N N 27 117.400 117.400 118.609 -1.209 18531
12389 1 48 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.054 -1.464 18531
12390 1 48 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.723 -0.023 18531
12391 1 48 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.658 -0.458 18531
12392 1 48 . 1 1 27 27 GLU H H 27 8.370 8.370 8.254 0.116 18531
12393 1 48 . 1 1 28 28 LYS N N 28 116.300 116.300 117.717 -1.417 18531
12394 1 48 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.884 -0.214 18531
12395 1 48 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.558 1.042 18531
12396 1 48 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.665 0.535 18531
12397 1 48 . 1 1 28 28 LYS H H 28 7.170 7.170 7.541 -0.371 18531
12398 1 48 . 1 1 29 29 ALA N N 29 122.000 122.000 121.394 0.606 18531
12399 1 48 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.027 0.063 18531
12400 1 48 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.004 0.696 18531
12401 1 48 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.243 -0.743 18531
12402 1 48 . 1 1 29 29 ALA H H 29 7.200 7.200 7.374 -0.174 18531
12403 1 48 . 1 1 30 30 PHE N N 30 119.600 119.600 118.144 1.456 18531
12404 1 48 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.493 0.287 18531
12405 1 48 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.716 -3.116 18531
12406 1 48 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.926 -1.526 18531
12407 1 48 . 1 1 30 30 PHE H H 30 8.610 8.610 7.273 1.337 18531
12408 1 48 . 1 1 31 31 LYS N N 31 122.800 122.800 119.100 3.700 18531
12409 1 48 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.106 -0.016 18531
12410 1 48 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.447 0.253 18531
12411 1 48 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.940 -0.340 18531
12412 1 48 . 1 1 31 31 LYS H H 31 9.030 9.030 8.024 1.006 18531
12413 1 48 . 1 1 32 32 GLN N N 32 119.600 119.600 116.759 2.841 18531
12414 1 48 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.247 -0.217 18531
12415 1 48 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.867 0.834 18531
12416 1 48 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.960 -0.860 18531
12417 1 48 . 1 1 32 32 GLN H H 32 7.510 7.510 7.641 -0.131 18531
12418 1 48 . 1 1 33 33 TYR N N 33 120.400 120.400 120.771 -0.371 18531
12419 1 48 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.384 -0.134 18531
12420 1 48 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.744 1.056 18531
12421 1 48 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.497 -0.797 18531
12422 1 48 . 1 1 33 33 TYR H H 33 8.080 8.080 8.097 -0.017 18531
12423 1 48 . 1 1 34 34 ALA N N 34 122.300 122.300 120.831 1.469 18531
12424 1 48 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.847 -0.067 18531
12425 1 48 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.465 0.635 18531
12426 1 48 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.269 -0.569 18531
12427 1 48 . 1 1 34 34 ALA H H 34 9.210 9.210 8.279 0.931 18531
12428 1 48 . 1 1 35 35 ASN N N 35 117.700 117.700 115.881 1.819 18531
12429 1 48 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.539 -0.079 18531
12430 1 48 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.648 1.352 18531
12431 1 48 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.392 0.608 18531
12432 1 48 . 1 1 35 35 ASN H H 35 8.390 8.390 8.203 0.187 18531
12433 1 48 . 1 1 36 36 ASP N N 36 121.100 121.100 118.686 2.414 18531
12434 1 48 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.695 -0.335 18531
12435 1 48 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.948 1.752 18531
12436 1 48 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.447 -1.447 18531
12437 1 48 . 1 1 36 36 ASP H H 36 8.830 8.830 7.977 0.853 18531
12438 1 48 . 1 1 37 37 ASN N N 37 115.200 115.200 116.989 -1.789 18531
12439 1 48 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.833 -0.223 18531
12440 1 48 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.321 1.379 18531
12441 1 48 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.009 0.991 18531
12442 1 48 . 1 1 37 37 ASN H H 37 7.390 7.390 7.656 -0.266 18531
12443 1 48 . 1 1 38 38 GLY N N 38 108.200 108.200 108.866 -0.666 18531
12444 1 48 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.050 0.350 18531
12445 1 48 . 1 1 38 38 GLY H H 38 7.800 7.800 7.731 0.069 18531
12446 1 48 . 1 1 39 39 VAL N N 39 120.800 120.800 119.537 1.263 18531
12447 1 48 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.490 -0.350 18531
12448 1 48 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.829 0.871 18531
12449 1 48 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.137 -0.837 18531
12450 1 48 . 1 1 39 39 VAL H H 39 8.120 8.120 7.903 0.217 18531
12451 1 48 . 1 1 40 40 ASP N N 40 128.000 128.000 124.776 3.224 18531
12452 1 48 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.817 0.073 18531
12453 1 48 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.021 -1.221 18531
12454 1 48 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.011 -0.911 18531
12455 1 48 . 1 1 40 40 ASP H H 40 8.770 8.770 8.439 0.331 18531
12456 1 48 . 1 1 41 41 GLY N N 41 107.100 107.100 111.409 -4.309 18531
12457 1 48 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.703 -0.303 18531
12458 1 48 . 1 1 41 41 GLY H H 41 7.910 7.910 8.075 -0.165 18531
12459 1 48 . 1 1 42 42 VAL N N 42 120.300 120.300 118.593 1.707 18531
12460 1 48 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.595 -0.215 18531
12461 1 48 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.812 2.288 18531
12462 1 48 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.078 0.322 18531
12463 1 48 . 1 1 42 42 VAL H H 42 8.250 8.250 8.237 0.013 18531
12464 1 48 . 1 1 43 43 TRP N N 43 130.700 130.700 126.372 4.328 18531
12465 1 48 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.283 0.077 18531
12466 1 48 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.486 2.114 18531
12467 1 48 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.666 0.534 18531
12468 1 48 . 1 1 43 43 TRP H H 43 9.360 9.360 8.604 0.756 18531
12469 1 48 . 1 1 44 44 THR N N 44 114.500 114.500 120.554 -6.054 18531
12470 1 48 . 1 1 44 44 THR HA H 44 4.830 4.830 4.602 0.228 18531
12471 1 48 . 1 1 44 44 THR CA C 44 60.300 60.300 61.855 -1.555 18531
12472 1 48 . 1 1 44 44 THR CB C 44 72.100 72.100 68.560 3.540 18531
12473 1 48 . 1 1 44 44 THR H H 44 9.400 9.400 8.608 0.792 18531
12474 1 48 . 1 1 45 45 TYR N N 45 120.100 120.100 126.889 -6.789 18531
12475 1 48 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.206 -0.236 18531
12476 1 48 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.840 2.160 18531
12477 1 48 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.490 1.110 18531
12478 1 48 . 1 1 45 45 TYR H H 45 8.580 8.580 8.153 0.427 18531
12479 1 48 . 1 1 46 46 ASP N N 46 128.300 128.300 124.264 4.036 18531
12480 1 48 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.449 0.131 18531
12481 1 48 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.740 0.160 18531
12482 1 48 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.788 -0.689 18531
12483 1 48 . 1 1 46 46 ASP H H 46 7.580 7.580 8.503 -0.923 18531
12484 1 48 . 1 1 47 47 ASP N N 47 124.800 124.800 125.304 -0.504 18531
12485 1 48 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.785 -0.675 18531
12486 1 48 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.278 1.222 18531
12487 1 48 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.384 1.716 18531
12488 1 48 . 1 1 47 47 ASP H H 47 8.590 8.590 8.499 0.091 18531
12489 1 48 . 1 1 48 48 ALA N N 48 119.700 119.700 122.104 -2.404 18531
12490 1 48 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.490 -0.400 18531
12491 1 48 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.753 1.247 18531
12492 1 48 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.432 -2.132 18531
12493 1 48 . 1 1 48 48 ALA H H 48 8.340 8.340 7.671 0.669 18531
12494 1 48 . 1 1 49 49 THR N N 49 103.200 103.200 113.980 -10.780 18531
12495 1 48 . 1 1 49 49 THR HA H 49 4.390 4.390 4.506 -0.116 18531
12496 1 48 . 1 1 49 49 THR CA C 49 60.200 60.200 61.939 -1.739 18531
12497 1 48 . 1 1 49 49 THR CB C 49 70.000 70.000 69.031 0.969 18531
12498 1 48 . 1 1 49 49 THR H H 49 7.000 7.000 8.333 -1.333 18531
12499 1 48 . 1 1 50 50 LYS N N 50 123.100 123.100 120.036 3.064 18531
12500 1 48 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.333 -0.143 18531
12501 1 48 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.751 -1.151 18531
12502 1 48 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.288 -1.688 18531
12503 1 48 . 1 1 50 50 LYS H H 50 7.860 7.860 8.101 -0.241 18531
12504 1 48 . 1 1 51 51 THR N N 51 111.200 111.200 114.720 -3.520 18531
12505 1 48 . 1 1 51 51 THR HA H 51 5.490 5.490 4.716 0.774 18531
12506 1 48 . 1 1 51 51 THR CA C 51 62.300 62.300 62.751 -0.451 18531
12507 1 48 . 1 1 51 51 THR CB C 51 72.100 72.100 70.517 1.583 18531
12508 1 48 . 1 1 51 51 THR H H 51 7.390 7.390 7.645 -0.255 18531
12509 1 48 . 1 1 52 52 PHE N N 52 131.000 131.000 128.279 2.721 18531
12510 1 48 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.101 0.529 18531
12511 1 48 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.627 0.673 18531
12512 1 48 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.666 1.935 18531
12513 1 48 . 1 1 52 52 PHE H H 52 10.390 10.390 8.953 1.437 18531
12514 1 48 . 1 1 53 53 THR N N 53 117.400 117.400 120.948 -3.548 18531
12515 1 48 . 1 1 53 53 THR HA H 53 5.270 5.270 5.096 0.174 18531
12516 1 48 . 1 1 53 53 THR CA C 53 61.200 61.200 61.758 -0.558 18531
12517 1 48 . 1 1 53 53 THR CB C 53 71.000 71.000 70.274 0.726 18531
12518 1 48 . 1 1 53 53 THR H H 53 9.180 9.180 9.215 -0.035 18531
12519 1 48 . 1 1 54 54 VAL N N 54 123.000 123.000 127.642 -4.642 18531
12520 1 48 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.517 -0.057 18531
12521 1 48 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.831 -2.732 18531
12522 1 48 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.869 -0.569 18531
12523 1 48 . 1 1 54 54 VAL H H 54 8.280 8.280 9.025 -0.745 18531
12524 1 48 . 1 1 55 55 THR N N 55 123.900 123.900 122.916 0.984 18531
12525 1 48 . 1 1 55 55 THR HA H 55 4.700 4.700 4.521 0.179 18531
12526 1 48 . 1 1 55 55 THR CA C 55 61.200 61.200 62.251 -1.050 18531
12527 1 48 . 1 1 55 55 THR CB C 55 70.700 70.700 70.210 0.490 18531
12528 1 48 . 1 1 55 55 THR H H 55 8.320 8.320 7.896 0.424 18531
12529 1 49 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.671 0.379 18531
12530 1 49 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.255 0.345 18531
12531 1 49 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.888 -1.188 18531
12532 1 49 . 1 1 2 2 GLN H H 2 8.410 8.410 8.234 0.176 18531
12533 1 49 . 1 1 3 3 TYR N N 3 124.000 124.000 123.892 0.108 18531
12534 1 49 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.152 0.208 18531
12535 1 49 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.790 0.310 18531
12536 1 49 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.786 1.814 18531
12537 1 49 . 1 1 3 3 TYR H H 3 9.070 9.070 9.026 0.044 18531
12538 1 49 . 1 1 4 4 LYS N N 4 122.500 122.500 122.224 0.276 18531
12539 1 49 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.856 0.364 18531
12540 1 49 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.137 -0.137 18531
12541 1 49 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.250 0.750 18531
12542 1 49 . 1 1 4 4 LYS H H 4 9.100 9.100 9.178 -0.078 18531
12543 1 49 . 1 1 5 5 LEU N N 5 126.400 126.400 127.181 -0.781 18531
12544 1 49 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.783 0.187 18531
12545 1 49 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.625 -0.825 18531
12546 1 49 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.921 -3.321 18531
12547 1 49 . 1 1 5 5 LEU H H 5 8.620 8.620 8.865 -0.245 18531
12548 1 49 . 1 1 6 6 VAL N N 6 127.000 127.000 124.029 2.971 18531
12549 1 49 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.296 -0.136 18531
12550 1 49 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.611 0.688 18531
12551 1 49 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.545 -1.845 18531
12552 1 49 . 1 1 6 6 VAL H H 6 9.190 9.190 8.301 0.889 18531
12553 1 49 . 1 1 7 7 ILE N N 7 125.400 125.400 127.458 -2.058 18531
12554 1 49 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.294 -0.204 18531
12555 1 49 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.774 -0.074 18531
12556 1 49 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.171 -0.171 18531
12557 1 49 . 1 1 7 7 ILE H H 7 8.800 8.800 8.678 0.121 18531
12558 1 49 . 1 1 8 8 ASN N N 8 128.900 128.900 126.758 2.142 18531
12559 1 49 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.014 0.266 18531
12560 1 49 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.063 -1.264 18531
12561 1 49 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.737 -1.637 18531
12562 1 49 . 1 1 8 8 ASN H H 8 8.990 8.990 8.110 0.880 18531
12563 1 49 . 1 1 9 9 GLY N N 9 110.200 110.200 108.159 2.041 18531
12564 1 49 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.124 0.576 18531
12565 1 49 . 1 1 9 9 GLY H H 9 7.920 7.920 8.065 -0.145 18531
12566 1 49 . 1 1 10 10 LYS N N 10 120.700 120.700 123.962 -3.262 18531
12567 1 49 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.002 0.058 18531
12568 1 49 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.249 -0.049 18531
12569 1 49 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.670 0.230 18531
12570 1 49 . 1 1 10 10 LYS H H 10 9.520 9.520 8.876 0.644 18531
12571 1 49 . 1 1 11 11 THR N N 11 108.900 108.900 108.895 0.005 18531
12572 1 49 . 1 1 11 11 THR HA H 11 4.360 4.360 4.404 -0.044 18531
12573 1 49 . 1 1 11 11 THR CA C 11 62.000 62.000 62.306 -0.306 18531
12574 1 49 . 1 1 11 11 THR CB C 11 69.800 69.800 70.136 -0.336 18531
12575 1 49 . 1 1 11 11 THR H H 11 8.790 8.790 8.157 0.633 18531
12576 1 49 . 1 1 12 12 LEU N N 12 125.700 125.700 124.033 1.667 18531
12577 1 49 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.620 -0.180 18531
12578 1 49 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.321 0.679 18531
12579 1 49 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.956 0.344 18531
12580 1 49 . 1 1 12 12 LEU H H 12 7.580 7.580 8.133 -0.553 18531
12581 1 49 . 1 1 13 13 LYS N N 13 123.500 123.500 125.567 -2.067 18531
12582 1 49 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.645 0.475 18531
12583 1 49 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.348 -1.448 18531
12584 1 49 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.548 -0.749 18531
12585 1 49 . 1 1 13 13 LYS H H 13 8.140 8.140 8.521 -0.381 18531
12586 1 49 . 1 1 14 14 GLY N N 14 109.100 109.100 110.595 -1.495 18531
12587 1 49 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.028 -0.828 18531
12588 1 49 . 1 1 14 14 GLY H H 14 8.340 8.340 8.554 -0.214 18531
12589 1 49 . 1 1 15 15 GLU N N 15 118.200 118.200 119.017 -0.817 18531
12590 1 49 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.714 0.886 18531
12591 1 49 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.831 -1.331 18531
12592 1 49 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.111 0.689 18531
12593 1 49 . 1 1 15 15 GLU H H 15 8.390 8.390 8.512 -0.122 18531
12594 1 49 . 1 1 16 16 THR N N 16 115.600 115.600 113.737 1.863 18531
12595 1 49 . 1 1 16 16 THR HA H 16 4.730 4.730 4.665 0.065 18531
12596 1 49 . 1 1 16 16 THR CA C 16 60.600 60.600 61.986 -1.385 18531
12597 1 49 . 1 1 16 16 THR CB C 16 69.500 69.500 70.305 -0.805 18531
12598 1 49 . 1 1 16 16 THR H H 16 8.820 8.820 8.491 0.329 18531
12599 1 49 . 1 1 17 17 THR N N 17 111.800 111.800 114.897 -3.097 18531
12600 1 49 . 1 1 17 17 THR HA H 17 5.790 5.790 4.939 0.851 18531
12601 1 49 . 1 1 17 17 THR CA C 17 59.800 59.800 60.605 -0.805 18531
12602 1 49 . 1 1 17 17 THR CB C 17 73.100 73.100 72.149 0.951 18531
12603 1 49 . 1 1 17 17 THR H H 17 8.140 8.140 8.220 -0.080 18531
12604 1 49 . 1 1 18 18 THR N N 18 115.100 115.100 116.029 -0.929 18531
12605 1 49 . 1 1 18 18 THR HA H 18 4.640 4.640 4.611 0.029 18531
12606 1 49 . 1 1 18 18 THR CA C 18 61.900 61.900 61.589 0.311 18531
12607 1 49 . 1 1 18 18 THR CB C 18 70.000 70.000 71.339 -1.339 18531
12608 1 49 . 1 1 18 18 THR H H 18 8.930 8.930 8.289 0.641 18531
12609 1 49 . 1 1 19 19 LYS N N 19 124.300 124.300 122.579 1.721 18531
12610 1 49 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.778 0.552 18531
12611 1 49 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.482 -0.482 18531
12612 1 49 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.331 -0.531 18531
12613 1 49 . 1 1 19 19 LYS H H 19 7.950 7.950 8.298 -0.348 18531
12614 1 49 . 1 1 20 20 ALA N N 20 124.600 124.600 125.124 -0.524 18531
12615 1 49 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.461 0.319 18531
12616 1 49 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.453 -0.553 18531
12617 1 49 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.480 2.320 18531
12618 1 49 . 1 1 20 20 ALA H H 20 9.110 9.110 8.279 0.831 18531
12619 1 49 . 1 1 21 21 VAL N N 21 115.300 115.300 116.394 -1.094 18531
12620 1 49 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.957 0.153 18531
12621 1 49 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.352 -2.051 18531
12622 1 49 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.288 0.912 18531
12623 1 49 . 1 1 21 21 VAL H H 21 8.480 8.480 8.389 0.091 18531
12624 1 49 . 1 1 22 22 ASP N N 22 115.200 115.200 114.526 0.674 18531
12625 1 49 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.971 -0.261 18531
12626 1 49 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.665 -0.265 18531
12627 1 49 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.176 0.024 18531
12628 1 49 . 1 1 22 22 ASP H H 22 7.310 7.310 7.689 -0.379 18531
12629 1 49 . 1 1 23 23 ALA N N 23 121.000 121.000 121.101 -0.101 18531
12630 1 49 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.915 -0.575 18531
12631 1 49 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.822 0.078 18531
12632 1 49 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.568 -1.068 18531
12633 1 49 . 1 1 23 23 ALA H H 23 8.370 8.370 8.862 -0.492 18531
12634 1 49 . 1 1 24 24 GLU N N 24 118.900 118.900 119.977 -1.077 18531
12635 1 49 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.908 -0.048 18531
12636 1 49 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.658 0.042 18531
12637 1 49 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.981 0.119 18531
12638 1 49 . 1 1 24 24 GLU H H 24 8.410 8.410 8.447 -0.037 18531
12639 1 49 . 1 1 25 25 THR N N 25 117.400 117.400 113.777 3.623 18531
12640 1 49 . 1 1 25 25 THR HA H 25 3.670 3.670 4.078 -0.408 18531
12641 1 49 . 1 1 25 25 THR CA C 25 66.800 66.800 65.096 1.704 18531
12642 1 49 . 1 1 25 25 THR CB C 25 68.000 68.000 68.734 -0.734 18531
12643 1 49 . 1 1 25 25 THR H H 25 8.380 8.380 8.647 -0.267 18531
12644 1 49 . 1 1 26 26 ALA N N 26 125.100 125.100 124.240 0.860 18531
12645 1 49 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.756 -0.566 18531
12646 1 49 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.960 0.040 18531
12647 1 49 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.731 -0.431 18531
12648 1 49 . 1 1 26 26 ALA H H 26 7.220 7.220 7.339 -0.119 18531
12649 1 49 . 1 1 27 27 GLU N N 27 117.400 117.400 118.045 -0.645 18531
12650 1 49 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.680 -1.090 18531
12651 1 49 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.838 -0.138 18531
12652 1 49 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.425 -0.225 18531
12653 1 49 . 1 1 27 27 GLU H H 27 8.370 8.370 8.563 -0.193 18531
12654 1 49 . 1 1 28 28 LYS N N 28 116.300 116.300 119.272 -2.972 18531
12655 1 49 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.001 -0.331 18531
12656 1 49 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.026 0.574 18531
12657 1 49 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.255 -0.056 18531
12658 1 49 . 1 1 28 28 LYS H H 28 7.170 7.170 7.188 -0.018 18531
12659 1 49 . 1 1 29 29 ALA N N 29 122.000 122.000 122.047 -0.047 18531
12660 1 49 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.987 0.103 18531
12661 1 49 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.594 0.106 18531
12662 1 49 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.142 -0.642 18531
12663 1 49 . 1 1 29 29 ALA H H 29 7.200 7.200 7.427 -0.227 18531
12664 1 49 . 1 1 30 30 PHE N N 30 119.600 119.600 116.885 2.715 18531
12665 1 49 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.197 0.583 18531
12666 1 49 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.258 -3.658 18531
12667 1 49 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.678 -1.278 18531
12668 1 49 . 1 1 30 30 PHE H H 30 8.610 8.610 8.238 0.372 18531
12669 1 49 . 1 1 31 31 LYS N N 31 122.800 122.800 119.352 3.448 18531
12670 1 49 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.495 0.595 18531
12671 1 49 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.127 0.573 18531
12672 1 49 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.550 0.050 18531
12673 1 49 . 1 1 31 31 LYS H H 31 9.030 9.030 8.006 1.024 18531
12674 1 49 . 1 1 32 32 GLN N N 32 119.600 119.600 117.748 1.852 18531
12675 1 49 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.980 0.050 18531
12676 1 49 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.936 -0.236 18531
12677 1 49 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.439 -0.339 18531
12678 1 49 . 1 1 32 32 GLN H H 32 7.510 7.510 8.162 -0.652 18531
12679 1 49 . 1 1 33 33 TYR N N 33 120.400 120.400 121.399 -0.999 18531
12680 1 49 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.201 0.049 18531
12681 1 49 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.991 0.809 18531
12682 1 49 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.318 0.382 18531
12683 1 49 . 1 1 33 33 TYR H H 33 8.080 8.080 7.910 0.170 18531
12684 1 49 . 1 1 34 34 ALA N N 34 122.300 122.300 120.769 1.531 18531
12685 1 49 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.886 -0.106 18531
12686 1 49 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.423 0.677 18531
12687 1 49 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.284 -0.584 18531
12688 1 49 . 1 1 34 34 ALA H H 34 9.210 9.210 7.944 1.266 18531
12689 1 49 . 1 1 35 35 ASN N N 35 117.700 117.700 117.632 0.068 18531
12690 1 49 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.444 0.016 18531
12691 1 49 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.119 0.881 18531
12692 1 49 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.001 0.999 18531
12693 1 49 . 1 1 35 35 ASN H H 35 8.390 8.390 8.125 0.265 18531
12694 1 49 . 1 1 36 36 ASP N N 36 121.100 121.100 119.908 1.192 18531
12695 1 49 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.448 -0.088 18531
12696 1 49 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.495 0.205 18531
12697 1 49 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.028 -0.028 18531
12698 1 49 . 1 1 36 36 ASP H H 36 8.830 8.830 8.242 0.588 18531
12699 1 49 . 1 1 37 37 ASN N N 37 115.200 115.200 115.253 -0.053 18531
12700 1 49 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.673 -0.063 18531
12701 1 49 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.096 0.604 18531
12702 1 49 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.188 0.812 18531
12703 1 49 . 1 1 37 37 ASN H H 37 7.390 7.390 7.693 -0.303 18531
12704 1 49 . 1 1 38 38 GLY N N 38 108.200 108.200 109.083 -0.883 18531
12705 1 49 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.949 0.451 18531
12706 1 49 . 1 1 38 38 GLY H H 38 7.800 7.800 8.049 -0.249 18531
12707 1 49 . 1 1 39 39 VAL N N 39 120.800 120.800 119.237 1.563 18531
12708 1 49 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.351 -0.211 18531
12709 1 49 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.552 1.148 18531
12710 1 49 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.783 -0.483 18531
12711 1 49 . 1 1 39 39 VAL H H 39 8.120 8.120 8.158 -0.038 18531
12712 1 49 . 1 1 40 40 ASP N N 40 128.000 128.000 123.727 4.273 18531
12713 1 49 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.903 -0.013 18531
12714 1 49 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.357 -0.557 18531
12715 1 49 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.906 -0.806 18531
12716 1 49 . 1 1 40 40 ASP H H 40 8.770 8.770 8.128 0.642 18531
12717 1 49 . 1 1 41 41 GLY N N 41 107.100 107.100 109.908 -2.808 18531
12718 1 49 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.514 -0.114 18531
12719 1 49 . 1 1 41 41 GLY H H 41 7.910 7.910 8.297 -0.387 18531
12720 1 49 . 1 1 42 42 VAL N N 42 120.300 120.300 122.992 -2.692 18531
12721 1 49 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.476 -0.096 18531
12722 1 49 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.655 0.445 18531
12723 1 49 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.212 0.188 18531
12724 1 49 . 1 1 42 42 VAL H H 42 8.250 8.250 8.485 -0.235 18531
12725 1 49 . 1 1 43 43 TRP N N 43 130.700 130.700 126.620 4.080 18531
12726 1 49 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.320 0.040 18531
12727 1 49 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.403 1.197 18531
12728 1 49 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.706 -2.506 18531
12729 1 49 . 1 1 43 43 TRP H H 43 9.360 9.360 8.591 0.769 18531
12730 1 49 . 1 1 44 44 THR N N 44 114.500 114.500 114.829 -0.329 18531
12731 1 49 . 1 1 44 44 THR HA H 44 4.830 4.830 4.875 -0.045 18531
12732 1 49 . 1 1 44 44 THR CA C 44 60.300 60.300 60.251 0.049 18531
12733 1 49 . 1 1 44 44 THR CB C 44 72.100 72.100 71.462 0.638 18531
12734 1 49 . 1 1 44 44 THR H H 44 9.400 9.400 8.768 0.632 18531
12735 1 49 . 1 1 45 45 TYR N N 45 120.100 120.100 121.110 -1.010 18531
12736 1 49 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.588 0.382 18531
12737 1 49 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.827 0.173 18531
12738 1 49 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.864 -0.265 18531
12739 1 49 . 1 1 45 45 TYR H H 45 8.580 8.580 8.209 0.371 18531
12740 1 49 . 1 1 46 46 ASP N N 46 128.300 128.300 125.120 3.180 18531
12741 1 49 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.414 0.166 18531
12742 1 49 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.822 0.078 18531
12743 1 49 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.570 -0.470 18531
12744 1 49 . 1 1 46 46 ASP H H 46 7.580 7.580 8.116 -0.536 18531
12745 1 49 . 1 1 47 47 ASP N N 47 124.800 124.800 124.705 0.095 18531
12746 1 49 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.316 -0.206 18531
12747 1 49 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.258 2.242 18531
12748 1 49 . 1 1 47 47 ASP CB C 47 42.100 42.100 39.858 2.242 18531
12749 1 49 . 1 1 47 47 ASP H H 47 8.590 8.590 8.348 0.242 18531
12750 1 49 . 1 1 48 48 ALA N N 48 119.700 119.700 121.560 -1.860 18531
12751 1 49 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.419 -0.329 18531
12752 1 49 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.865 1.135 18531
12753 1 49 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.250 -1.950 18531
12754 1 49 . 1 1 48 48 ALA H H 48 8.340 8.340 8.142 0.198 18531
12755 1 49 . 1 1 49 49 THR N N 49 103.200 103.200 112.426 -9.226 18531
12756 1 49 . 1 1 49 49 THR HA H 49 4.390 4.390 4.301 0.089 18531
12757 1 49 . 1 1 49 49 THR CA C 49 60.200 60.200 61.370 -1.170 18531
12758 1 49 . 1 1 49 49 THR CB C 49 70.000 70.000 68.636 1.364 18531
12759 1 49 . 1 1 49 49 THR H H 49 7.000 7.000 8.012 -1.012 18531
12760 1 49 . 1 1 50 50 LYS N N 50 123.100 123.100 119.199 3.901 18531
12761 1 49 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.907 0.283 18531
12762 1 49 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.425 -0.825 18531
12763 1 49 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.040 -1.440 18531
12764 1 49 . 1 1 50 50 LYS H H 50 7.860 7.860 7.910 -0.050 18531
12765 1 49 . 1 1 51 51 THR N N 51 111.200 111.200 113.139 -1.939 18531
12766 1 49 . 1 1 51 51 THR HA H 51 5.490 5.490 5.253 0.237 18531
12767 1 49 . 1 1 51 51 THR CA C 51 62.300 62.300 61.723 0.577 18531
12768 1 49 . 1 1 51 51 THR CB C 51 72.100 72.100 71.341 0.759 18531
12769 1 49 . 1 1 51 51 THR H H 51 7.390 7.390 7.440 -0.050 18531
12770 1 49 . 1 1 52 52 PHE N N 52 131.000 131.000 123.431 7.569 18531
12771 1 49 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.164 0.466 18531
12772 1 49 . 1 1 52 52 PHE CA C 52 57.300 57.300 58.924 -1.624 18531
12773 1 49 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.480 0.120 18531
12774 1 49 . 1 1 52 52 PHE H H 52 10.390 10.390 8.622 1.768 18531
12775 1 49 . 1 1 53 53 THR N N 53 117.400 117.400 113.609 3.791 18531
12776 1 49 . 1 1 53 53 THR HA H 53 5.270 5.270 3.893 1.377 18531
12777 1 49 . 1 1 53 53 THR CA C 53 61.200 61.200 63.157 -1.957 18531
12778 1 49 . 1 1 53 53 THR CB C 53 71.000 71.000 68.829 2.171 18531
12779 1 49 . 1 1 53 53 THR H H 53 9.180 9.180 7.972 1.208 18531
12780 1 49 . 1 1 54 54 VAL N N 54 123.000 123.000 124.499 -1.499 18531
12781 1 49 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.192 0.268 18531
12782 1 49 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.254 -1.153 18531
12783 1 49 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.744 -2.444 18531
12784 1 49 . 1 1 54 54 VAL H H 54 8.280 8.280 8.290 -0.010 18531
12785 1 49 . 1 1 55 55 THR N N 55 123.900 123.900 124.728 -0.828 18531
12786 1 49 . 1 1 55 55 THR HA H 55 4.700 4.700 4.554 0.146 18531
12787 1 49 . 1 1 55 55 THR CA C 55 61.200 61.200 61.573 -0.373 18531
12788 1 49 . 1 1 55 55 THR CB C 55 70.700 70.700 69.652 1.048 18531
12789 1 49 . 1 1 55 55 THR H H 55 8.320 8.320 8.546 -0.226 18531
12790 1 50 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.236 0.814 18531
12791 1 50 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.611 -1.011 18531
12792 1 50 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.609 2.091 18531
12793 1 50 . 1 1 2 2 GLN H H 2 8.410 8.410 8.536 -0.126 18531
12794 1 50 . 1 1 3 3 TYR N N 3 124.000 124.000 122.454 1.546 18531
12795 1 50 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.894 0.466 18531
12796 1 50 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.881 0.219 18531
12797 1 50 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.052 1.548 18531
12798 1 50 . 1 1 3 3 TYR H H 3 9.070 9.070 8.657 0.413 18531
12799 1 50 . 1 1 4 4 LYS N N 4 122.500 122.500 122.752 -0.252 18531
12800 1 50 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.588 0.632 18531
12801 1 50 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.550 0.450 18531
12802 1 50 . 1 1 4 4 LYS CB C 4 36.000 36.000 33.964 2.037 18531
12803 1 50 . 1 1 4 4 LYS H H 4 9.100 9.100 8.631 0.469 18531
12804 1 50 . 1 1 5 5 LEU N N 5 126.400 126.400 129.936 -3.536 18531
12805 1 50 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.185 -0.215 18531
12806 1 50 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.000 -1.200 18531
12807 1 50 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.594 -0.994 18531
12808 1 50 . 1 1 5 5 LEU H H 5 8.620 8.620 8.368 0.252 18531
12809 1 50 . 1 1 6 6 VAL N N 6 127.000 127.000 128.081 -1.081 18531
12810 1 50 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.320 -0.160 18531
12811 1 50 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.685 0.615 18531
12812 1 50 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.627 0.074 18531
12813 1 50 . 1 1 6 6 VAL H H 6 9.190 9.190 9.240 -0.050 18531
12814 1 50 . 1 1 7 7 ILE N N 7 125.400 125.400 128.135 -2.735 18531
12815 1 50 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.457 -0.367 18531
12816 1 50 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.489 0.212 18531
12817 1 50 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.746 -0.746 18531
12818 1 50 . 1 1 7 7 ILE H H 7 8.800 8.800 7.892 0.908 18531
12819 1 50 . 1 1 8 8 ASN N N 8 128.900 128.900 124.639 4.261 18531
12820 1 50 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.995 0.285 18531
12821 1 50 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.670 -1.870 18531
12822 1 50 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.068 -1.968 18531
12823 1 50 . 1 1 8 8 ASN H H 8 8.990 8.990 8.966 0.024 18531
12824 1 50 . 1 1 9 9 GLY N N 9 110.200 110.200 107.657 2.543 18531
12825 1 50 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.605 1.095 18531
12826 1 50 . 1 1 9 9 GLY H H 9 7.920 7.920 8.216 -0.296 18531
12827 1 50 . 1 1 10 10 LYS N N 10 120.700 120.700 120.681 0.019 18531
12828 1 50 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.247 -0.187 18531
12829 1 50 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.593 0.608 18531
12830 1 50 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.948 -0.048 18531
12831 1 50 . 1 1 10 10 LYS H H 10 9.520 9.520 8.808 0.712 18531
12832 1 50 . 1 1 11 11 THR N N 11 108.900 108.900 110.877 -1.977 18531
12833 1 50 . 1 1 11 11 THR HA H 11 4.360 4.360 4.429 -0.069 18531
12834 1 50 . 1 1 11 11 THR CA C 11 62.000 62.000 61.780 0.220 18531
12835 1 50 . 1 1 11 11 THR CB C 11 69.800 69.800 69.773 0.027 18531
12836 1 50 . 1 1 11 11 THR H H 11 8.790 8.790 8.084 0.706 18531
12837 1 50 . 1 1 12 12 LEU N N 12 125.700 125.700 123.722 1.978 18531
12838 1 50 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.564 -0.124 18531
12839 1 50 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.566 -0.566 18531
12840 1 50 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.667 -1.367 18531
12841 1 50 . 1 1 12 12 LEU H H 12 7.580 7.580 7.523 0.057 18531
12842 1 50 . 1 1 13 13 LYS N N 13 123.500 123.500 124.346 -0.846 18531
12843 1 50 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.654 0.466 18531
12844 1 50 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.231 -2.332 18531
12845 1 50 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.166 1.634 18531
12846 1 50 . 1 1 13 13 LYS H H 13 8.140 8.140 8.537 -0.397 18531
12847 1 50 . 1 1 14 14 GLY N N 14 109.100 109.100 109.894 -0.794 18531
12848 1 50 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.749 0.451 18531
12849 1 50 . 1 1 14 14 GLY H H 14 8.340 8.340 7.910 0.430 18531
12850 1 50 . 1 1 15 15 GLU N N 15 118.200 118.200 120.422 -2.222 18531
12851 1 50 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.973 0.627 18531
12852 1 50 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.655 -1.155 18531
12853 1 50 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.390 1.410 18531
12854 1 50 . 1 1 15 15 GLU H H 15 8.390 8.390 8.408 -0.018 18531
12855 1 50 . 1 1 16 16 THR N N 16 115.600 115.600 122.159 -6.559 18531
12856 1 50 . 1 1 16 16 THR HA H 16 4.730 4.730 4.540 0.190 18531
12857 1 50 . 1 1 16 16 THR CA C 16 60.600 60.600 61.530 -0.930 18531
12858 1 50 . 1 1 16 16 THR CB C 16 69.500 69.500 68.920 0.580 18531
12859 1 50 . 1 1 16 16 THR H H 16 8.820 8.820 8.319 0.501 18531
12860 1 50 . 1 1 17 17 THR N N 17 111.800 111.800 117.679 -5.879 18531
12861 1 50 . 1 1 17 17 THR HA H 17 5.790 5.790 4.611 1.179 18531
12862 1 50 . 1 1 17 17 THR CA C 17 59.800 59.800 61.078 -1.278 18531
12863 1 50 . 1 1 17 17 THR CB C 17 73.100 73.100 70.761 2.338 18531
12864 1 50 . 1 1 17 17 THR H H 17 8.140 8.140 8.181 -0.041 18531
12865 1 50 . 1 1 18 18 THR N N 18 115.100 115.100 116.827 -1.727 18531
12866 1 50 . 1 1 18 18 THR HA H 18 4.640 4.640 4.665 -0.025 18531
12867 1 50 . 1 1 18 18 THR CA C 18 61.900 61.900 61.829 0.071 18531
12868 1 50 . 1 1 18 18 THR CB C 18 70.000 70.000 71.695 -1.696 18531
12869 1 50 . 1 1 18 18 THR H H 18 8.930 8.930 8.452 0.478 18531
12870 1 50 . 1 1 19 19 LYS N N 19 124.300 124.300 119.923 4.377 18531
12871 1 50 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.948 0.382 18531
12872 1 50 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.533 -0.533 18531
12873 1 50 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.709 0.091 18531
12874 1 50 . 1 1 19 19 LYS H H 19 7.950 7.950 8.415 -0.465 18531
12875 1 50 . 1 1 20 20 ALA N N 20 124.600 124.600 124.003 0.597 18531
12876 1 50 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.543 0.237 18531
12877 1 50 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.637 -0.737 18531
12878 1 50 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.202 2.598 18531
12879 1 50 . 1 1 20 20 ALA H H 20 9.110 9.110 8.016 1.094 18531
12880 1 50 . 1 1 21 21 VAL N N 21 115.300 115.300 115.928 -0.628 18531
12881 1 50 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.010 0.100 18531
12882 1 50 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.488 -1.188 18531
12883 1 50 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.941 0.259 18531
12884 1 50 . 1 1 21 21 VAL H H 21 8.480 8.480 8.326 0.154 18531
12885 1 50 . 1 1 22 22 ASP N N 22 115.200 115.200 114.489 0.711 18531
12886 1 50 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.963 -0.253 18531
12887 1 50 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.560 -0.160 18531
12888 1 50 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.210 -0.010 18531
12889 1 50 . 1 1 22 22 ASP H H 22 7.310 7.310 7.544 -0.234 18531
12890 1 50 . 1 1 23 23 ALA N N 23 121.000 121.000 123.224 -2.224 18531
12891 1 50 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.535 -0.195 18531
12892 1 50 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.199 -0.299 18531
12893 1 50 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.732 -1.232 18531
12894 1 50 . 1 1 23 23 ALA H H 23 8.370 8.370 8.623 -0.253 18531
12895 1 50 . 1 1 24 24 GLU N N 24 118.900 118.900 118.830 0.070 18531
12896 1 50 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.904 -0.044 18531
12897 1 50 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.166 0.534 18531
12898 1 50 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.610 0.490 18531
12899 1 50 . 1 1 24 24 GLU H H 24 8.410 8.410 8.561 -0.151 18531
12900 1 50 . 1 1 25 25 THR N N 25 117.400 117.400 113.235 4.165 18531
12901 1 50 . 1 1 25 25 THR HA H 25 3.670 3.670 4.208 -0.538 18531
12902 1 50 . 1 1 25 25 THR CA C 25 66.800 66.800 63.683 3.117 18531
12903 1 50 . 1 1 25 25 THR CB C 25 68.000 68.000 68.585 -0.585 18531
12904 1 50 . 1 1 25 25 THR H H 25 8.380 8.380 7.758 0.622 18531
12905 1 50 . 1 1 26 26 ALA N N 26 125.100 125.100 124.712 0.388 18531
12906 1 50 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.453 -0.263 18531
12907 1 50 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.600 0.400 18531
12908 1 50 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.519 -0.219 18531
12909 1 50 . 1 1 26 26 ALA H H 26 7.220 7.220 7.829 -0.609 18531
12910 1 50 . 1 1 27 27 GLU N N 27 117.400 117.400 118.416 -1.016 18531
12911 1 50 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.939 -1.349 18531
12912 1 50 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.806 -0.106 18531
12913 1 50 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.429 -0.229 18531
12914 1 50 . 1 1 27 27 GLU H H 27 8.370 8.370 8.333 0.037 18531
12915 1 50 . 1 1 28 28 LYS N N 28 116.300 116.300 119.096 -2.796 18531
12916 1 50 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.755 -0.085 18531
12917 1 50 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.375 0.225 18531
12918 1 50 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.051 0.149 18531
12919 1 50 . 1 1 28 28 LYS H H 28 7.170 7.170 7.761 -0.591 18531
12920 1 50 . 1 1 29 29 ALA N N 29 122.000 122.000 120.651 1.349 18531
12921 1 50 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.932 0.158 18531
12922 1 50 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.798 -0.098 18531
12923 1 50 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.792 -0.292 18531
12924 1 50 . 1 1 29 29 ALA H H 29 7.200 7.200 7.275 -0.075 18531
12925 1 50 . 1 1 30 30 PHE N N 30 119.600 119.600 116.691 2.909 18531
12926 1 50 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.318 0.462 18531
12927 1 50 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.269 -2.669 18531
12928 1 50 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.155 -0.755 18531
12929 1 50 . 1 1 30 30 PHE H H 30 8.610 8.610 7.073 1.537 18531
12930 1 50 . 1 1 31 31 LYS N N 31 122.800 122.800 120.197 2.603 18531
12931 1 50 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.040 0.050 18531
12932 1 50 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.955 -0.255 18531
12933 1 50 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.682 -0.082 18531
12934 1 50 . 1 1 31 31 LYS H H 31 9.030 9.030 8.332 0.698 18531
12935 1 50 . 1 1 32 32 GLN N N 32 119.600 119.600 118.587 1.013 18531
12936 1 50 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.059 -0.029 18531
12937 1 50 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.184 -0.484 18531
12938 1 50 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.818 -0.718 18531
12939 1 50 . 1 1 32 32 GLN H H 32 7.510 7.510 8.480 -0.970 18531
12940 1 50 . 1 1 33 33 TYR N N 33 120.400 120.400 120.142 0.258 18531
12941 1 50 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.278 -0.028 18531
12942 1 50 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.779 1.021 18531
12943 1 50 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.470 0.230 18531
12944 1 50 . 1 1 33 33 TYR H H 33 8.080 8.080 7.765 0.315 18531
12945 1 50 . 1 1 34 34 ALA N N 34 122.300 122.300 122.163 0.137 18531
12946 1 50 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.047 -0.267 18531
12947 1 50 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.883 1.217 18531
12948 1 50 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.657 -0.957 18531
12949 1 50 . 1 1 34 34 ALA H H 34 9.210 9.210 8.182 1.028 18531
12950 1 50 . 1 1 35 35 ASN N N 35 117.700 117.700 117.858 -0.158 18531
12951 1 50 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.509 -0.049 18531
12952 1 50 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.508 1.492 18531
12953 1 50 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.287 0.713 18531
12954 1 50 . 1 1 35 35 ASN H H 35 8.390 8.390 8.521 -0.131 18531
12955 1 50 . 1 1 36 36 ASP N N 36 121.100 121.100 119.724 1.376 18531
12956 1 50 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.572 -0.212 18531
12957 1 50 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.062 0.638 18531
12958 1 50 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.084 -1.083 18531
12959 1 50 . 1 1 36 36 ASP H H 36 8.830 8.830 7.981 0.849 18531
12960 1 50 . 1 1 37 37 ASN N N 37 115.200 115.200 116.265 -1.065 18531
12961 1 50 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.736 -0.126 18531
12962 1 50 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.541 1.159 18531
12963 1 50 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.406 0.594 18531
12964 1 50 . 1 1 37 37 ASN H H 37 7.390 7.390 7.775 -0.385 18531
12965 1 50 . 1 1 38 38 GLY N N 38 108.200 108.200 109.166 -0.966 18531
12966 1 50 . 1 1 38 38 GLY CA C 38 46.400 46.400 44.885 1.515 18531
12967 1 50 . 1 1 38 38 GLY H H 38 7.800 7.800 7.429 0.371 18531
12968 1 50 . 1 1 39 39 VAL N N 39 120.800 120.800 117.421 3.379 18531
12969 1 50 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.773 0.367 18531
12970 1 50 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.768 -1.068 18531
12971 1 50 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.074 1.226 18531
12972 1 50 . 1 1 39 39 VAL H H 39 8.120 8.120 8.176 -0.056 18531
12973 1 50 . 1 1 40 40 ASP N N 40 128.000 128.000 123.859 4.141 18531
12974 1 50 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.783 0.107 18531
12975 1 50 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.057 -1.257 18531
12976 1 50 . 1 1 40 40 ASP CB C 40 43.100 43.100 42.810 0.290 18531
12977 1 50 . 1 1 40 40 ASP H H 40 8.770 8.770 8.233 0.537 18531
12978 1 50 . 1 1 41 41 GLY N N 41 107.100 107.100 111.365 -4.265 18531
12979 1 50 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.062 0.338 18531
12980 1 50 . 1 1 41 41 GLY H H 41 7.910 7.910 8.018 -0.108 18531
12981 1 50 . 1 1 42 42 VAL N N 42 120.300 120.300 121.200 -0.900 18531
12982 1 50 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.307 0.073 18531
12983 1 50 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.872 0.228 18531
12984 1 50 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.277 0.123 18531
12985 1 50 . 1 1 42 42 VAL H H 42 8.250 8.250 8.385 -0.135 18531
12986 1 50 . 1 1 43 43 TRP N N 43 130.700 130.700 124.160 6.540 18531
12987 1 50 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.286 0.074 18531
12988 1 50 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.594 2.006 18531
12989 1 50 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.804 -0.604 18531
12990 1 50 . 1 1 43 43 TRP H H 43 9.360 9.360 8.441 0.919 18531
12991 1 50 . 1 1 44 44 THR N N 44 114.500 114.500 119.951 -5.451 18531
12992 1 50 . 1 1 44 44 THR HA H 44 4.830 4.830 4.673 0.157 18531
12993 1 50 . 1 1 44 44 THR CA C 44 60.300 60.300 60.758 -0.458 18531
12994 1 50 . 1 1 44 44 THR CB C 44 72.100 72.100 68.761 3.339 18531
12995 1 50 . 1 1 44 44 THR H H 44 9.400 9.400 8.562 0.838 18531
12996 1 50 . 1 1 45 45 TYR N N 45 120.100 120.100 126.537 -6.437 18531
12997 1 50 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.192 -0.222 18531
12998 1 50 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.941 2.059 18531
12999 1 50 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.832 0.768 18531
13000 1 50 . 1 1 45 45 TYR H H 45 8.580 8.580 8.363 0.217 18531
13001 1 50 . 1 1 46 46 ASP N N 46 128.300 128.300 123.823 4.477 18531
13002 1 50 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.478 0.102 18531
13003 1 50 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.852 0.048 18531
13004 1 50 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.220 -1.120 18531
13005 1 50 . 1 1 46 46 ASP H H 46 7.580 7.580 7.984 -0.404 18531
13006 1 50 . 1 1 47 47 ASP N N 47 124.800 124.800 124.550 0.250 18531
13007 1 50 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.793 -0.683 18531
13008 1 50 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.507 0.993 18531
13009 1 50 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.178 0.922 18531
13010 1 50 . 1 1 47 47 ASP H H 47 8.590 8.590 8.213 0.377 18531
13011 1 50 . 1 1 48 48 ALA N N 48 119.700 119.700 122.391 -2.691 18531
13012 1 50 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.363 -0.273 18531
13013 1 50 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.525 1.476 18531
13014 1 50 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.624 -1.324 18531
13015 1 50 . 1 1 48 48 ALA H H 48 8.340 8.340 8.104 0.236 18531
13016 1 50 . 1 1 49 49 THR N N 49 103.200 103.200 114.876 -11.676 18531
13017 1 50 . 1 1 49 49 THR HA H 49 4.390 4.390 4.395 -0.005 18531
13018 1 50 . 1 1 49 49 THR CA C 49 60.200 60.200 60.439 -0.239 18531
13019 1 50 . 1 1 49 49 THR CB C 49 70.000 70.000 68.847 1.153 18531
13020 1 50 . 1 1 49 49 THR H H 49 7.000 7.000 8.163 -1.163 18531
13021 1 50 . 1 1 50 50 LYS N N 50 123.100 123.100 116.680 6.420 18531
13022 1 50 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.280 -0.090 18531
13023 1 50 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.204 -0.604 18531
13024 1 50 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.122 -0.522 18531
13025 1 50 . 1 1 50 50 LYS H H 50 7.860 7.860 8.015 -0.155 18531
13026 1 50 . 1 1 51 51 THR N N 51 111.200 111.200 116.658 -5.458 18531
13027 1 50 . 1 1 51 51 THR HA H 51 5.490 5.490 5.040 0.450 18531
13028 1 50 . 1 1 51 51 THR CA C 51 62.300 62.300 62.400 -0.100 18531
13029 1 50 . 1 1 51 51 THR CB C 51 72.100 72.100 70.451 1.649 18531
13030 1 50 . 1 1 51 51 THR H H 51 7.390 7.390 7.791 -0.401 18531
13031 1 50 . 1 1 52 52 PHE N N 52 131.000 131.000 129.195 1.805 18531
13032 1 50 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.213 0.417 18531
13033 1 50 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.535 0.765 18531
13034 1 50 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.436 2.164 18531
13035 1 50 . 1 1 52 52 PHE H H 52 10.390 10.390 9.573 0.817 18531
13036 1 50 . 1 1 53 53 THR N N 53 117.400 117.400 121.525 -4.125 18531
13037 1 50 . 1 1 53 53 THR HA H 53 5.270 5.270 5.149 0.121 18531
13038 1 50 . 1 1 53 53 THR CA C 53 61.200 61.200 61.571 -0.371 18531
13039 1 50 . 1 1 53 53 THR CB C 53 71.000 71.000 70.683 0.317 18531
13040 1 50 . 1 1 53 53 THR H H 53 9.180 9.180 9.341 -0.161 18531
13041 1 50 . 1 1 54 54 VAL N N 54 123.000 123.000 127.255 -4.255 18531
13042 1 50 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.554 -0.094 18531
13043 1 50 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.727 -2.627 18531
13044 1 50 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.556 -0.256 18531
13045 1 50 . 1 1 54 54 VAL H H 54 8.280 8.280 9.121 -0.841 18531
13046 1 50 . 1 1 55 55 THR N N 55 123.900 123.900 124.736 -0.836 18531
13047 1 50 . 1 1 55 55 THR HA H 55 4.700 4.700 4.510 0.190 18531
13048 1 50 . 1 1 55 55 THR CA C 55 61.200 61.200 62.241 -1.041 18531
13049 1 50 . 1 1 55 55 THR CB C 55 70.700 70.700 69.581 1.119 18531
13050 1 50 . 1 1 55 55 THR H H 55 8.320 8.320 8.205 0.115 18531
13051 1 51 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.855 0.195 18531
13052 1 51 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.785 -0.185 18531
13053 1 51 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.144 -1.444 18531
13054 1 51 . 1 1 2 2 GLN H H 2 8.410 8.410 8.149 0.261 18531
13055 1 51 . 1 1 3 3 TYR N N 3 124.000 124.000 123.439 0.561 18531
13056 1 51 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.249 0.111 18531
13057 1 51 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.433 0.667 18531
13058 1 51 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.738 0.862 18531
13059 1 51 . 1 1 3 3 TYR H H 3 9.070 9.070 9.598 -0.528 18531
13060 1 51 . 1 1 4 4 LYS N N 4 122.500 122.500 121.076 1.424 18531
13061 1 51 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.862 0.358 18531
13062 1 51 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.165 0.835 18531
13063 1 51 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.146 -0.146 18531
13064 1 51 . 1 1 4 4 LYS H H 4 9.100 9.100 8.536 0.564 18531
13065 1 51 . 1 1 5 5 LEU N N 5 126.400 126.400 126.144 0.256 18531
13066 1 51 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.487 0.483 18531
13067 1 51 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.785 -0.985 18531
13068 1 51 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.460 -0.860 18531
13069 1 51 . 1 1 5 5 LEU H H 5 8.620 8.620 8.158 0.462 18531
13070 1 51 . 1 1 6 6 VAL N N 6 127.000 127.000 128.902 -1.902 18531
13071 1 51 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.210 -0.050 18531
13072 1 51 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.372 0.928 18531
13073 1 51 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.421 1.279 18531
13074 1 51 . 1 1 6 6 VAL H H 6 9.190 9.190 8.933 0.257 18531
13075 1 51 . 1 1 7 7 ILE N N 7 125.400 125.400 128.786 -3.386 18531
13076 1 51 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.319 -0.229 18531
13077 1 51 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.026 -0.326 18531
13078 1 51 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.138 -0.138 18531
13079 1 51 . 1 1 7 7 ILE H H 7 8.800 8.800 7.678 1.122 18531
13080 1 51 . 1 1 8 8 ASN N N 8 128.900 128.900 125.488 3.412 18531
13081 1 51 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.034 0.246 18531
13082 1 51 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.496 -1.696 18531
13083 1 51 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.637 -1.537 18531
13084 1 51 . 1 1 8 8 ASN H H 8 8.990 8.990 8.845 0.145 18531
13085 1 51 . 1 1 9 9 GLY N N 9 110.200 110.200 107.748 2.452 18531
13086 1 51 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.589 1.111 18531
13087 1 51 . 1 1 9 9 GLY H H 9 7.920 7.920 7.717 0.203 18531
13088 1 51 . 1 1 10 10 LYS N N 10 120.700 120.700 120.069 0.631 18531
13089 1 51 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.164 -0.104 18531
13090 1 51 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.018 0.182 18531
13091 1 51 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.647 0.253 18531
13092 1 51 . 1 1 10 10 LYS H H 10 9.520 9.520 8.897 0.623 18531
13093 1 51 . 1 1 11 11 THR N N 11 108.900 108.900 109.876 -0.976 18531
13094 1 51 . 1 1 11 11 THR HA H 11 4.360 4.360 4.319 0.041 18531
13095 1 51 . 1 1 11 11 THR CA C 11 62.000 62.000 61.827 0.173 18531
13096 1 51 . 1 1 11 11 THR CB C 11 69.800 69.800 69.527 0.273 18531
13097 1 51 . 1 1 11 11 THR H H 11 8.790 8.790 7.876 0.914 18531
13098 1 51 . 1 1 12 12 LEU N N 12 125.700 125.700 123.894 1.806 18531
13099 1 51 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.479 -0.039 18531
13100 1 51 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.138 -0.138 18531
13101 1 51 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.093 0.207 18531
13102 1 51 . 1 1 12 12 LEU H H 12 7.580 7.580 8.025 -0.445 18531
13103 1 51 . 1 1 13 13 LYS N N 13 123.500 123.500 124.940 -1.440 18531
13104 1 51 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.593 0.527 18531
13105 1 51 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.496 -2.596 18531
13106 1 51 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.373 1.427 18531
13107 1 51 . 1 1 13 13 LYS H H 13 8.140 8.140 8.584 -0.444 18531
13108 1 51 . 1 1 14 14 GLY N N 14 109.100 109.100 109.132 -0.032 18531
13109 1 51 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.327 0.873 18531
13110 1 51 . 1 1 14 14 GLY H H 14 8.340 8.340 8.059 0.281 18531
13111 1 51 . 1 1 15 15 GLU N N 15 118.200 118.200 120.538 -2.338 18531
13112 1 51 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.111 0.489 18531
13113 1 51 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.379 -0.879 18531
13114 1 51 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.719 1.081 18531
13115 1 51 . 1 1 15 15 GLU H H 15 8.390 8.390 8.542 -0.152 18531
13116 1 51 . 1 1 16 16 THR N N 16 115.600 115.600 121.271 -5.671 18531
13117 1 51 . 1 1 16 16 THR HA H 16 4.730 4.730 4.596 0.134 18531
13118 1 51 . 1 1 16 16 THR CA C 16 60.600 60.600 61.639 -1.039 18531
13119 1 51 . 1 1 16 16 THR CB C 16 69.500 69.500 68.736 0.764 18531
13120 1 51 . 1 1 16 16 THR H H 16 8.820 8.820 8.366 0.454 18531
13121 1 51 . 1 1 17 17 THR N N 17 111.800 111.800 117.460 -5.660 18531
13122 1 51 . 1 1 17 17 THR HA H 17 5.790 5.790 5.234 0.556 18531
13123 1 51 . 1 1 17 17 THR CA C 17 59.800 59.800 60.466 -0.666 18531
13124 1 51 . 1 1 17 17 THR CB C 17 73.100 73.100 70.773 2.327 18531
13125 1 51 . 1 1 17 17 THR H H 17 8.140 8.140 8.561 -0.421 18531
13126 1 51 . 1 1 18 18 THR N N 18 115.100 115.100 118.081 -2.981 18531
13127 1 51 . 1 1 18 18 THR HA H 18 4.640 4.640 4.596 0.044 18531
13128 1 51 . 1 1 18 18 THR CA C 18 61.900 61.900 61.300 0.600 18531
13129 1 51 . 1 1 18 18 THR CB C 18 70.000 70.000 70.012 -0.012 18531
13130 1 51 . 1 1 18 18 THR H H 18 8.930 8.930 8.909 0.021 18531
13131 1 51 . 1 1 19 19 LYS N N 19 124.300 124.300 119.806 4.494 18531
13132 1 51 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.891 0.439 18531
13133 1 51 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.190 -0.190 18531
13134 1 51 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.835 -1.035 18531
13135 1 51 . 1 1 19 19 LYS H H 19 7.950 7.950 8.309 -0.359 18531
13136 1 51 . 1 1 20 20 ALA N N 20 124.600 124.600 124.090 0.510 18531
13137 1 51 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.509 0.271 18531
13138 1 51 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.445 -0.545 18531
13139 1 51 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.271 2.529 18531
13140 1 51 . 1 1 20 20 ALA H H 20 9.110 9.110 8.151 0.959 18531
13141 1 51 . 1 1 21 21 VAL N N 21 115.300 115.300 118.850 -3.550 18531
13142 1 51 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.908 0.202 18531
13143 1 51 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.379 -1.079 18531
13144 1 51 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.915 0.286 18531
13145 1 51 . 1 1 21 21 VAL H H 21 8.480 8.480 8.462 0.018 18531
13146 1 51 . 1 1 22 22 ASP N N 22 115.200 115.200 113.553 1.647 18531
13147 1 51 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.899 -0.189 18531
13148 1 51 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.684 -0.284 18531
13149 1 51 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.739 0.461 18531
13150 1 51 . 1 1 22 22 ASP H H 22 7.310 7.310 7.575 -0.265 18531
13151 1 51 . 1 1 23 23 ALA N N 23 121.000 121.000 122.354 -1.354 18531
13152 1 51 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.804 -0.464 18531
13153 1 51 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.947 -0.047 18531
13154 1 51 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.297 -0.797 18531
13155 1 51 . 1 1 23 23 ALA H H 23 8.370 8.370 8.809 -0.439 18531
13156 1 51 . 1 1 24 24 GLU N N 24 118.900 118.900 118.395 0.505 18531
13157 1 51 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.878 -0.018 18531
13158 1 51 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.236 0.464 18531
13159 1 51 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.841 0.259 18531
13160 1 51 . 1 1 24 24 GLU H H 24 8.410 8.410 8.417 -0.007 18531
13161 1 51 . 1 1 25 25 THR N N 25 117.400 117.400 112.256 5.144 18531
13162 1 51 . 1 1 25 25 THR HA H 25 3.670 3.670 4.285 -0.615 18531
13163 1 51 . 1 1 25 25 THR CA C 25 66.800 66.800 63.811 2.989 18531
13164 1 51 . 1 1 25 25 THR CB C 25 68.000 68.000 69.202 -1.202 18531
13165 1 51 . 1 1 25 25 THR H H 25 8.380 8.380 7.647 0.733 18531
13166 1 51 . 1 1 26 26 ALA N N 26 125.100 125.100 124.833 0.267 18531
13167 1 51 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.640 -0.450 18531
13168 1 51 . 1 1 26 26 ALA CA C 26 55.000 55.000 55.430 -0.430 18531
13169 1 51 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.533 -0.233 18531
13170 1 51 . 1 1 26 26 ALA H H 26 7.220 7.220 8.205 -0.985 18531
13171 1 51 . 1 1 27 27 GLU N N 27 117.400 117.400 117.742 -0.342 18531
13172 1 51 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.863 -1.273 18531
13173 1 51 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.423 0.277 18531
13174 1 51 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.468 -0.268 18531
13175 1 51 . 1 1 27 27 GLU H H 27 8.370 8.370 8.192 0.178 18531
13176 1 51 . 1 1 28 28 LYS N N 28 116.300 116.300 117.312 -1.012 18531
13177 1 51 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.026 -0.356 18531
13178 1 51 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.358 1.242 18531
13179 1 51 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.469 -0.270 18531
13180 1 51 . 1 1 28 28 LYS H H 28 7.170 7.170 7.594 -0.424 18531
13181 1 51 . 1 1 29 29 ALA N N 29 122.000 122.000 120.965 1.035 18531
13182 1 51 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.111 -0.021 18531
13183 1 51 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.513 0.187 18531
13184 1 51 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.604 -1.104 18531
13185 1 51 . 1 1 29 29 ALA H H 29 7.200 7.200 7.693 -0.493 18531
13186 1 51 . 1 1 30 30 PHE N N 30 119.600 119.600 117.630 1.970 18531
13187 1 51 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.156 0.624 18531
13188 1 51 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.148 -3.547 18531
13189 1 51 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.315 -0.915 18531
13190 1 51 . 1 1 30 30 PHE H H 30 8.610 8.610 8.542 0.068 18531
13191 1 51 . 1 1 31 31 LYS N N 31 122.800 122.800 117.286 5.514 18531
13192 1 51 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.817 0.273 18531
13193 1 51 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.064 1.636 18531
13194 1 51 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.656 -0.056 18531
13195 1 51 . 1 1 31 31 LYS H H 31 9.030 9.030 7.668 1.362 18531
13196 1 51 . 1 1 32 32 GLN N N 32 119.600 119.600 118.060 1.540 18531
13197 1 51 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.258 -0.228 18531
13198 1 51 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.530 1.170 18531
13199 1 51 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.200 -1.100 18531
13200 1 51 . 1 1 32 32 GLN H H 32 7.510 7.510 8.098 -0.588 18531
13201 1 51 . 1 1 33 33 TYR N N 33 120.400 120.400 122.337 -1.937 18531
13202 1 51 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.196 0.054 18531
13203 1 51 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.557 0.243 18531
13204 1 51 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.743 -0.043 18531
13205 1 51 . 1 1 33 33 TYR H H 33 8.080 8.080 7.748 0.332 18531
13206 1 51 . 1 1 34 34 ALA N N 34 122.300 122.300 119.853 2.447 18531
13207 1 51 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.894 -0.114 18531
13208 1 51 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.751 0.349 18531
13209 1 51 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.456 -0.756 18531
13210 1 51 . 1 1 34 34 ALA H H 34 9.210 9.210 8.361 0.849 18531
13211 1 51 . 1 1 35 35 ASN N N 35 117.700 117.700 115.713 1.987 18531
13212 1 51 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531
13213 1 51 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.973 1.027 18531
13214 1 51 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.267 0.733 18531
13215 1 51 . 1 1 35 35 ASN H H 35 8.390 8.390 8.222 0.168 18531
13216 1 51 . 1 1 36 36 ASP N N 36 121.100 121.100 118.988 2.112 18531
13217 1 51 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.667 -0.307 18531
13218 1 51 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.352 1.348 18531
13219 1 51 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.530 -0.530 18531
13220 1 51 . 1 1 36 36 ASP H H 36 8.830 8.830 8.062 0.768 18531
13221 1 51 . 1 1 37 37 ASN N N 37 115.200 115.200 116.161 -0.961 18531
13222 1 51 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.784 -0.174 18531
13223 1 51 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.677 1.023 18531
13224 1 51 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.942 1.058 18531
13225 1 51 . 1 1 37 37 ASN H H 37 7.390 7.390 7.634 -0.244 18531
13226 1 51 . 1 1 38 38 GLY N N 38 108.200 108.200 109.083 -0.883 18531
13227 1 51 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.316 0.084 18531
13228 1 51 . 1 1 38 38 GLY H H 38 7.800 7.800 7.617 0.183 18531
13229 1 51 . 1 1 39 39 VAL N N 39 120.800 120.800 119.776 1.024 18531
13230 1 51 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.304 -0.164 18531
13231 1 51 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.162 0.538 18531
13232 1 51 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.848 -1.548 18531
13233 1 51 . 1 1 39 39 VAL H H 39 8.120 8.120 7.838 0.282 18531
13234 1 51 . 1 1 40 40 ASP N N 40 128.000 128.000 123.002 4.998 18531
13235 1 51 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.784 0.106 18531
13236 1 51 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.889 -1.089 18531
13237 1 51 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.455 -0.355 18531
13238 1 51 . 1 1 40 40 ASP H H 40 8.770 8.770 8.367 0.403 18531
13239 1 51 . 1 1 41 41 GLY N N 41 107.100 107.100 110.368 -3.268 18531
13240 1 51 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.841 0.559 18531
13241 1 51 . 1 1 41 41 GLY H H 41 7.910 7.910 7.998 -0.088 18531
13242 1 51 . 1 1 42 42 VAL N N 42 120.300 120.300 118.109 2.191 18531
13243 1 51 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.511 -0.131 18531
13244 1 51 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.976 1.124 18531
13245 1 51 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.716 0.684 18531
13246 1 51 . 1 1 42 42 VAL H H 42 8.250 8.250 7.820 0.430 18531
13247 1 51 . 1 1 43 43 TRP N N 43 130.700 130.700 128.176 2.524 18531
13248 1 51 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.131 0.229 18531
13249 1 51 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.291 1.309 18531
13250 1 51 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.673 -0.473 18531
13251 1 51 . 1 1 43 43 TRP H H 43 9.360 9.360 8.657 0.703 18531
13252 1 51 . 1 1 44 44 THR N N 44 114.500 114.500 118.713 -4.213 18531
13253 1 51 . 1 1 44 44 THR HA H 44 4.830 4.830 4.565 0.265 18531
13254 1 51 . 1 1 44 44 THR CA C 44 60.300 60.300 60.933 -0.633 18531
13255 1 51 . 1 1 44 44 THR CB C 44 72.100 72.100 70.204 1.896 18531
13256 1 51 . 1 1 44 44 THR H H 44 9.400 9.400 8.391 1.009 18531
13257 1 51 . 1 1 45 45 TYR N N 45 120.100 120.100 127.417 -7.317 18531
13258 1 51 . 1 1 45 45 TYR HA H 45 4.970 4.970 3.990 0.980 18531
13259 1 51 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.121 -0.121 18531
13260 1 51 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.109 1.491 18531
13261 1 51 . 1 1 45 45 TYR H H 45 8.580 8.580 8.644 -0.064 18531
13262 1 51 . 1 1 46 46 ASP N N 46 128.300 128.300 127.093 1.207 18531
13263 1 51 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.481 0.099 18531
13264 1 51 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.214 -0.314 18531
13265 1 51 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.127 -0.027 18531
13266 1 51 . 1 1 46 46 ASP H H 46 7.580 7.580 7.969 -0.389 18531
13267 1 51 . 1 1 47 47 ASP N N 47 124.800 124.800 123.534 1.266 18531
13268 1 51 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.341 -0.231 18531
13269 1 51 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.322 1.177 18531
13270 1 51 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.457 1.643 18531
13271 1 51 . 1 1 47 47 ASP H H 47 8.590 8.590 8.360 0.230 18531
13272 1 51 . 1 1 48 48 ALA N N 48 119.700 119.700 122.529 -2.829 18531
13273 1 51 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.336 -0.246 18531
13274 1 51 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.014 0.986 18531
13275 1 51 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.279 -1.979 18531
13276 1 51 . 1 1 48 48 ALA H H 48 8.340 8.340 7.635 0.705 18531
13277 1 51 . 1 1 49 49 THR N N 49 103.200 103.200 110.683 -7.483 18531
13278 1 51 . 1 1 49 49 THR HA H 49 4.390 4.390 4.344 0.046 18531
13279 1 51 . 1 1 49 49 THR CA C 49 60.200 60.200 60.565 -0.365 18531
13280 1 51 . 1 1 49 49 THR CB C 49 70.000 70.000 69.054 0.946 18531
13281 1 51 . 1 1 49 49 THR H H 49 7.000 7.000 7.701 -0.701 18531
13282 1 51 . 1 1 50 50 LYS N N 50 123.100 123.100 118.030 5.070 18531
13283 1 51 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.940 0.250 18531
13284 1 51 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.155 -0.555 18531
13285 1 51 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.168 -0.568 18531
13286 1 51 . 1 1 50 50 LYS H H 50 7.860 7.860 7.692 0.168 18531
13287 1 51 . 1 1 51 51 THR N N 51 111.200 111.200 114.064 -2.864 18531
13288 1 51 . 1 1 51 51 THR HA H 51 5.490 5.490 4.801 0.689 18531
13289 1 51 . 1 1 51 51 THR CA C 51 62.300 62.300 61.050 1.250 18531
13290 1 51 . 1 1 51 51 THR CB C 51 72.100 72.100 71.487 0.613 18531
13291 1 51 . 1 1 51 51 THR H H 51 7.390 7.390 7.572 -0.182 18531
13292 1 51 . 1 1 52 52 PHE N N 52 131.000 131.000 124.231 6.769 18531
13293 1 51 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.687 -0.057 18531
13294 1 51 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.431 1.869 18531
13295 1 51 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.421 -0.821 18531
13296 1 51 . 1 1 52 52 PHE H H 52 10.390 10.390 8.985 1.405 18531
13297 1 51 . 1 1 53 53 THR N N 53 117.400 117.400 118.662 -1.262 18531
13298 1 51 . 1 1 53 53 THR HA H 53 5.270 5.270 5.040 0.230 18531
13299 1 51 . 1 1 53 53 THR CA C 53 61.200 61.200 61.817 -0.617 18531
13300 1 51 . 1 1 53 53 THR CB C 53 71.000 71.000 71.030 -0.030 18531
13301 1 51 . 1 1 53 53 THR H H 53 9.180 9.180 8.455 0.725 18531
13302 1 51 . 1 1 54 54 VAL N N 54 123.000 123.000 126.153 -3.153 18531
13303 1 51 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.672 -0.212 18531
13304 1 51 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.828 -0.728 18531
13305 1 51 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.921 -1.621 18531
13306 1 51 . 1 1 54 54 VAL H H 54 8.280 8.280 8.601 -0.321 18531
13307 1 51 . 1 1 55 55 THR N N 55 123.900 123.900 123.630 0.270 18531
13308 1 51 . 1 1 55 55 THR HA H 55 4.700 4.700 4.537 0.163 18531
13309 1 51 . 1 1 55 55 THR CA C 55 61.200 61.200 60.337 0.863 18531
13310 1 51 . 1 1 55 55 THR CB C 55 70.700 70.700 69.480 1.220 18531
13311 1 51 . 1 1 55 55 THR H H 55 8.320 8.320 8.453 -0.133 18531
13312 1 52 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.058 -0.008 18531
13313 1 52 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.368 1.232 18531
13314 1 52 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.915 0.786 18531
13315 1 52 . 1 1 2 2 GLN H H 2 8.410 8.410 8.055 0.355 18531
13316 1 52 . 1 1 3 3 TYR N N 3 124.000 124.000 123.392 0.608 18531
13317 1 52 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.892 0.468 18531
13318 1 52 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.901 0.199 18531
13319 1 52 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.746 1.854 18531
13320 1 52 . 1 1 3 3 TYR H H 3 9.070 9.070 8.714 0.356 18531
13321 1 52 . 1 1 4 4 LYS N N 4 122.500 122.500 121.945 0.555 18531
13322 1 52 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.812 0.408 18531
13323 1 52 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.799 0.201 18531
13324 1 52 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.103 -0.103 18531
13325 1 52 . 1 1 4 4 LYS H H 4 9.100 9.100 8.681 0.419 18531
13326 1 52 . 1 1 5 5 LEU N N 5 126.400 126.400 128.356 -1.956 18531
13327 1 52 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.100 -0.130 18531
13328 1 52 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.012 -0.212 18531
13329 1 52 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.263 -0.663 18531
13330 1 52 . 1 1 5 5 LEU H H 5 8.620 8.620 8.552 0.068 18531
13331 1 52 . 1 1 6 6 VAL N N 6 127.000 127.000 128.717 -1.717 18531
13332 1 52 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.243 -0.083 18531
13333 1 52 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.219 1.081 18531
13334 1 52 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.634 0.066 18531
13335 1 52 . 1 1 6 6 VAL H H 6 9.190 9.190 9.178 0.012 18531
13336 1 52 . 1 1 7 7 ILE N N 7 125.400 125.400 127.901 -2.501 18531
13337 1 52 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.583 -0.493 18531
13338 1 52 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.337 0.363 18531
13339 1 52 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.913 -0.913 18531
13340 1 52 . 1 1 7 7 ILE H H 7 8.800 8.800 7.710 1.090 18531
13341 1 52 . 1 1 8 8 ASN N N 8 128.900 128.900 125.090 3.810 18531
13342 1 52 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.027 0.253 18531
13343 1 52 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.499 -1.699 18531
13344 1 52 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.637 -1.537 18531
13345 1 52 . 1 1 8 8 ASN H H 8 8.990 8.990 8.744 0.246 18531
13346 1 52 . 1 1 9 9 GLY N N 9 110.200 110.200 108.337 1.863 18531
13347 1 52 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.030 0.670 18531
13348 1 52 . 1 1 9 9 GLY H H 9 7.920 7.920 7.734 0.186 18531
13349 1 52 . 1 1 10 10 LYS N N 10 120.700 120.700 118.604 2.096 18531
13350 1 52 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.172 -0.112 18531
13351 1 52 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.608 0.592 18531
13352 1 52 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.445 0.455 18531
13353 1 52 . 1 1 10 10 LYS H H 10 9.520 9.520 8.656 0.864 18531
13354 1 52 . 1 1 11 11 THR N N 11 108.900 108.900 111.613 -2.713 18531
13355 1 52 . 1 1 11 11 THR HA H 11 4.360 4.360 4.287 0.073 18531
13356 1 52 . 1 1 11 11 THR CA C 11 62.000 62.000 61.987 0.013 18531
13357 1 52 . 1 1 11 11 THR CB C 11 69.800 69.800 69.695 0.105 18531
13358 1 52 . 1 1 11 11 THR H H 11 8.790 8.790 7.890 0.900 18531
13359 1 52 . 1 1 12 12 LEU N N 12 125.700 125.700 123.768 1.932 18531
13360 1 52 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.410 0.030 18531
13361 1 52 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.071 -0.071 18531
13362 1 52 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.965 0.335 18531
13363 1 52 . 1 1 12 12 LEU H H 12 7.580 7.580 8.083 -0.503 18531
13364 1 52 . 1 1 13 13 LYS N N 13 123.500 123.500 125.336 -1.836 18531
13365 1 52 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.533 0.587 18531
13366 1 52 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.127 -2.227 18531
13367 1 52 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.381 1.419 18531
13368 1 52 . 1 1 13 13 LYS H H 13 8.140 8.140 8.549 -0.409 18531
13369 1 52 . 1 1 14 14 GLY N N 14 109.100 109.100 109.444 -0.344 18531
13370 1 52 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.317 0.883 18531
13371 1 52 . 1 1 14 14 GLY H H 14 8.340 8.340 7.991 0.349 18531
13372 1 52 . 1 1 15 15 GLU N N 15 118.200 118.200 119.875 -1.675 18531
13373 1 52 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.146 0.454 18531
13374 1 52 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.379 -0.879 18531
13375 1 52 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.670 1.130 18531
13376 1 52 . 1 1 15 15 GLU H H 15 8.390 8.390 8.458 -0.068 18531
13377 1 52 . 1 1 16 16 THR N N 16 115.600 115.600 120.884 -5.284 18531
13378 1 52 . 1 1 16 16 THR HA H 16 4.730 4.730 4.638 0.092 18531
13379 1 52 . 1 1 16 16 THR CA C 16 60.600 60.600 61.766 -1.166 18531
13380 1 52 . 1 1 16 16 THR CB C 16 69.500 69.500 69.951 -0.451 18531
13381 1 52 . 1 1 16 16 THR H H 16 8.820 8.820 8.446 0.374 18531
13382 1 52 . 1 1 17 17 THR N N 17 111.800 111.800 118.384 -6.584 18531
13383 1 52 . 1 1 17 17 THR HA H 17 5.790 5.790 5.489 0.301 18531
13384 1 52 . 1 1 17 17 THR CA C 17 59.800 59.800 60.304 -0.504 18531
13385 1 52 . 1 1 17 17 THR CB C 17 73.100 73.100 70.928 2.172 18531
13386 1 52 . 1 1 17 17 THR H H 17 8.140 8.140 8.323 -0.183 18531
13387 1 52 . 1 1 18 18 THR N N 18 115.100 115.100 117.790 -2.690 18531
13388 1 52 . 1 1 18 18 THR HA H 18 4.640 4.640 4.614 0.026 18531
13389 1 52 . 1 1 18 18 THR CA C 18 61.900 61.900 61.034 0.866 18531
13390 1 52 . 1 1 18 18 THR CB C 18 70.000 70.000 70.088 -0.088 18531
13391 1 52 . 1 1 18 18 THR H H 18 8.930 8.930 9.217 -0.287 18531
13392 1 52 . 1 1 19 19 LYS N N 19 124.300 124.300 121.430 2.870 18531
13393 1 52 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.189 0.141 18531
13394 1 52 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.839 0.161 18531
13395 1 52 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.121 -1.321 18531
13396 1 52 . 1 1 19 19 LYS H H 19 7.950 7.950 8.315 -0.364 18531
13397 1 52 . 1 1 20 20 ALA N N 20 124.600 124.600 127.952 -3.352 18531
13398 1 52 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.655 0.125 18531
13399 1 52 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.636 -0.736 18531
13400 1 52 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.869 1.931 18531
13401 1 52 . 1 1 20 20 ALA H H 20 9.110 9.110 8.722 0.388 18531
13402 1 52 . 1 1 21 21 VAL N N 21 115.300 115.300 118.748 -3.448 18531
13403 1 52 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.001 0.109 18531
13404 1 52 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.265 -0.965 18531
13405 1 52 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.039 0.161 18531
13406 1 52 . 1 1 21 21 VAL H H 21 8.480 8.480 8.476 0.004 18531
13407 1 52 . 1 1 22 22 ASP N N 22 115.200 115.200 114.224 0.976 18531
13408 1 52 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.872 -0.162 18531
13409 1 52 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.935 -0.535 18531
13410 1 52 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.268 -0.068 18531
13411 1 52 . 1 1 22 22 ASP H H 22 7.310 7.310 7.589 -0.279 18531
13412 1 52 . 1 1 23 23 ALA N N 23 121.000 121.000 123.309 -2.309 18531
13413 1 52 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.300 0.040 18531
13414 1 52 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.224 -0.324 18531
13415 1 52 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.690 -1.190 18531
13416 1 52 . 1 1 23 23 ALA H H 23 8.370 8.370 8.694 -0.324 18531
13417 1 52 . 1 1 24 24 GLU N N 24 118.900 118.900 118.728 0.172 18531
13418 1 52 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.869 -0.009 18531
13419 1 52 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.325 0.375 18531
13420 1 52 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.858 0.242 18531
13421 1 52 . 1 1 24 24 GLU H H 24 8.410 8.410 8.609 -0.199 18531
13422 1 52 . 1 1 25 25 THR N N 25 117.400 117.400 115.299 2.101 18531
13423 1 52 . 1 1 25 25 THR HA H 25 3.670 3.670 4.005 -0.335 18531
13424 1 52 . 1 1 25 25 THR CA C 25 66.800 66.800 66.070 0.730 18531
13425 1 52 . 1 1 25 25 THR CB C 25 68.000 68.000 68.826 -0.826 18531
13426 1 52 . 1 1 25 25 THR H H 25 8.380 8.380 7.891 0.489 18531
13427 1 52 . 1 1 26 26 ALA N N 26 125.100 125.100 124.364 0.736 18531
13428 1 52 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.433 -0.243 18531
13429 1 52 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.758 0.242 18531
13430 1 52 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.152 0.148 18531
13431 1 52 . 1 1 26 26 ALA H H 26 7.220 7.220 7.379 -0.159 18531
13432 1 52 . 1 1 27 27 GLU N N 27 117.400 117.400 117.617 -0.217 18531
13433 1 52 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.970 -1.380 18531
13434 1 52 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.708 -0.007 18531
13435 1 52 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.507 -0.307 18531
13436 1 52 . 1 1 27 27 GLU H H 27 8.370 8.370 8.436 -0.066 18531
13437 1 52 . 1 1 28 28 LYS N N 28 116.300 116.300 118.668 -2.368 18531
13438 1 52 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.997 -0.327 18531
13439 1 52 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.554 1.046 18531
13440 1 52 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.403 -0.203 18531
13441 1 52 . 1 1 28 28 LYS H H 28 7.170 7.170 7.306 -0.136 18531
13442 1 52 . 1 1 29 29 ALA N N 29 122.000 122.000 122.449 -0.449 18531
13443 1 52 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.035 0.055 18531
13444 1 52 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.739 -0.039 18531
13445 1 52 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.005 -0.505 18531
13446 1 52 . 1 1 29 29 ALA H H 29 7.200 7.200 7.316 -0.116 18531
13447 1 52 . 1 1 30 30 PHE N N 30 119.600 119.600 117.697 1.903 18531
13448 1 52 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.340 0.440 18531
13449 1 52 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.960 -3.360 18531
13450 1 52 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.336 -0.936 18531
13451 1 52 . 1 1 30 30 PHE H H 30 8.610 8.610 8.433 0.177 18531
13452 1 52 . 1 1 31 31 LYS N N 31 122.800 122.800 118.407 4.393 18531
13453 1 52 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.208 -0.118 18531
13454 1 52 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.336 0.364 18531
13455 1 52 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.819 -0.219 18531
13456 1 52 . 1 1 31 31 LYS H H 31 9.030 9.030 7.825 1.205 18531
13457 1 52 . 1 1 32 32 GLN N N 32 119.600 119.600 117.776 1.824 18531
13458 1 52 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.206 -0.176 18531
13459 1 52 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.046 0.654 18531
13460 1 52 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.253 -1.153 18531
13461 1 52 . 1 1 32 32 GLN H H 32 7.510 7.510 7.611 -0.101 18531
13462 1 52 . 1 1 33 33 TYR N N 33 120.400 120.400 121.437 -1.037 18531
13463 1 52 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.344 -0.094 18531
13464 1 52 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.639 1.161 18531
13465 1 52 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.222 -0.522 18531
13466 1 52 . 1 1 33 33 TYR H H 33 8.080 8.080 8.062 0.018 18531
13467 1 52 . 1 1 34 34 ALA N N 34 122.300 122.300 120.265 2.035 18531
13468 1 52 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.818 -0.038 18531
13469 1 52 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.790 0.310 18531
13470 1 52 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.389 -0.689 18531
13471 1 52 . 1 1 34 34 ALA H H 34 9.210 9.210 8.238 0.972 18531
13472 1 52 . 1 1 35 35 ASN N N 35 117.700 117.700 115.865 1.835 18531
13473 1 52 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.517 -0.057 18531
13474 1 52 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.638 1.362 18531
13475 1 52 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.337 0.663 18531
13476 1 52 . 1 1 35 35 ASN H H 35 8.390 8.390 8.097 0.293 18531
13477 1 52 . 1 1 36 36 ASP N N 36 121.100 121.100 118.668 2.432 18531
13478 1 52 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.673 -0.313 18531
13479 1 52 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.618 2.082 18531
13480 1 52 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.087 -1.087 18531
13481 1 52 . 1 1 36 36 ASP H H 36 8.830 8.830 7.986 0.844 18531
13482 1 52 . 1 1 37 37 ASN N N 37 115.200 115.200 116.745 -1.545 18531
13483 1 52 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.805 -0.195 18531
13484 1 52 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.438 1.262 18531
13485 1 52 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.127 0.873 18531
13486 1 52 . 1 1 37 37 ASN H H 37 7.390 7.390 7.684 -0.294 18531
13487 1 52 . 1 1 38 38 GLY N N 38 108.200 108.200 109.060 -0.860 18531
13488 1 52 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.106 0.294 18531
13489 1 52 . 1 1 38 38 GLY H H 38 7.800 7.800 7.696 0.104 18531
13490 1 52 . 1 1 39 39 VAL N N 39 120.800 120.800 121.173 -0.373 18531
13491 1 52 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.302 -0.162 18531
13492 1 52 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.472 1.228 18531
13493 1 52 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.836 -0.536 18531
13494 1 52 . 1 1 39 39 VAL H H 39 8.120 8.120 7.858 0.262 18531
13495 1 52 . 1 1 40 40 ASP N N 40 128.000 128.000 124.309 3.691 18531
13496 1 52 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.821 0.069 18531
13497 1 52 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.940 -1.140 18531
13498 1 52 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.700 -0.600 18531
13499 1 52 . 1 1 40 40 ASP H H 40 8.770 8.770 8.409 0.361 18531
13500 1 52 . 1 1 41 41 GLY N N 41 107.100 107.100 111.128 -4.028 18531
13501 1 52 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.694 -0.294 18531
13502 1 52 . 1 1 41 41 GLY H H 41 7.910 7.910 8.308 -0.398 18531
13503 1 52 . 1 1 42 42 VAL N N 42 120.300 120.300 121.917 -1.617 18531
13504 1 52 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.418 -0.038 18531
13505 1 52 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.525 0.575 18531
13506 1 52 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.202 0.198 18531
13507 1 52 . 1 1 42 42 VAL H H 42 8.250 8.250 8.407 -0.157 18531
13508 1 52 . 1 1 43 43 TRP N N 43 130.700 130.700 124.106 6.594 18531
13509 1 52 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.340 0.020 18531
13510 1 52 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.897 1.703 18531
13511 1 52 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.841 -0.641 18531
13512 1 52 . 1 1 43 43 TRP H H 43 9.360 9.360 8.402 0.958 18531
13513 1 52 . 1 1 44 44 THR N N 44 114.500 114.500 119.176 -4.676 18531
13514 1 52 . 1 1 44 44 THR HA H 44 4.830 4.830 4.637 0.193 18531
13515 1 52 . 1 1 44 44 THR CA C 44 60.300 60.300 61.330 -1.030 18531
13516 1 52 . 1 1 44 44 THR CB C 44 72.100 72.100 68.923 3.177 18531
13517 1 52 . 1 1 44 44 THR H H 44 9.400 9.400 8.575 0.825 18531
13518 1 52 . 1 1 45 45 TYR N N 45 120.100 120.100 127.272 -7.172 18531
13519 1 52 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.150 -0.180 18531
13520 1 52 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.837 2.163 18531
13521 1 52 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.841 0.759 18531
13522 1 52 . 1 1 45 45 TYR H H 45 8.580 8.580 8.239 0.341 18531
13523 1 52 . 1 1 46 46 ASP N N 46 128.300 128.300 124.609 3.691 18531
13524 1 52 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.411 0.169 18531
13525 1 52 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.421 0.479 18531
13526 1 52 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.011 -0.911 18531
13527 1 52 . 1 1 46 46 ASP H H 46 7.580 7.580 7.889 -0.309 18531
13528 1 52 . 1 1 47 47 ASP N N 47 124.800 124.800 124.072 0.728 18531
13529 1 52 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.776 -0.666 18531
13530 1 52 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.908 1.592 18531
13531 1 52 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.336 1.764 18531
13532 1 52 . 1 1 47 47 ASP H H 47 8.590 8.590 8.370 0.220 18531
13533 1 52 . 1 1 48 48 ALA N N 48 119.700 119.700 122.558 -2.858 18531
13534 1 52 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.495 -0.405 18531
13535 1 52 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.774 1.226 18531
13536 1 52 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.339 -2.039 18531
13537 1 52 . 1 1 48 48 ALA H H 48 8.340 8.340 8.075 0.265 18531
13538 1 52 . 1 1 49 49 THR N N 49 103.200 103.200 110.975 -7.775 18531
13539 1 52 . 1 1 49 49 THR HA H 49 4.390 4.390 4.482 -0.092 18531
13540 1 52 . 1 1 49 49 THR CA C 49 60.200 60.200 60.956 -0.756 18531
13541 1 52 . 1 1 49 49 THR CB C 49 70.000 70.000 69.388 0.612 18531
13542 1 52 . 1 1 49 49 THR H H 49 7.000 7.000 7.827 -0.827 18531
13543 1 52 . 1 1 50 50 LYS N N 50 123.100 123.100 117.625 5.475 18531
13544 1 52 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.312 -0.122 18531
13545 1 52 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.559 -0.959 18531
13546 1 52 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.433 -0.833 18531
13547 1 52 . 1 1 50 50 LYS H H 50 7.860 7.860 8.106 -0.246 18531
13548 1 52 . 1 1 51 51 THR N N 51 111.200 111.200 115.654 -4.454 18531
13549 1 52 . 1 1 51 51 THR HA H 51 5.490 5.490 4.693 0.797 18531
13550 1 52 . 1 1 51 51 THR CA C 51 62.300 62.300 62.781 -0.481 18531
13551 1 52 . 1 1 51 51 THR CB C 51 72.100 72.100 70.025 2.075 18531
13552 1 52 . 1 1 51 51 THR H H 51 7.390 7.390 7.668 -0.278 18531
13553 1 52 . 1 1 52 52 PHE N N 52 131.000 131.000 129.311 1.689 18531
13554 1 52 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.081 0.549 18531
13555 1 52 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.884 0.416 18531
13556 1 52 . 1 1 52 52 PHE CB C 52 42.600 42.600 39.466 3.134 18531
13557 1 52 . 1 1 52 52 PHE H H 52 10.390 10.390 8.902 1.488 18531
13558 1 52 . 1 1 53 53 THR N N 53 117.400 117.400 120.890 -3.490 18531
13559 1 52 . 1 1 53 53 THR HA H 53 5.270 5.270 5.104 0.166 18531
13560 1 52 . 1 1 53 53 THR CA C 53 61.200 61.200 61.512 -0.312 18531
13561 1 52 . 1 1 53 53 THR CB C 53 71.000 71.000 70.381 0.619 18531
13562 1 52 . 1 1 53 53 THR H H 53 9.180 9.180 9.126 0.054 18531
13563 1 52 . 1 1 54 54 VAL N N 54 123.000 123.000 127.306 -4.306 18531
13564 1 52 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.454 0.006 18531
13565 1 52 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.714 -2.614 18531
13566 1 52 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.449 -1.149 18531
13567 1 52 . 1 1 54 54 VAL H H 54 8.280 8.280 9.134 -0.854 18531
13568 1 52 . 1 1 55 55 THR N N 55 123.900 123.900 123.645 0.255 18531
13569 1 52 . 1 1 55 55 THR HA H 55 4.700 4.700 4.457 0.243 18531
13570 1 52 . 1 1 55 55 THR CA C 55 61.200 61.200 61.769 -0.569 18531
13571 1 52 . 1 1 55 55 THR CB C 55 70.700 70.700 69.770 0.930 18531
13572 1 52 . 1 1 55 55 THR H H 55 8.320 8.320 8.071 0.249 18531
13573 1 53 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.448 0.602 18531
13574 1 53 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.217 0.383 18531
13575 1 53 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.211 -0.511 18531
13576 1 53 . 1 1 2 2 GLN H H 2 8.410 8.410 8.108 0.302 18531
13577 1 53 . 1 1 3 3 TYR N N 3 124.000 124.000 122.911 1.089 18531
13578 1 53 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.920 0.440 18531
13579 1 53 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.055 0.045 18531
13580 1 53 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.359 2.241 18531
13581 1 53 . 1 1 3 3 TYR H H 3 9.070 9.070 9.086 -0.016 18531
13582 1 53 . 1 1 4 4 LYS N N 4 122.500 122.500 121.884 0.616 18531
13583 1 53 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.069 0.151 18531
13584 1 53 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.776 0.224 18531
13585 1 53 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.608 -0.608 18531
13586 1 53 . 1 1 4 4 LYS H H 4 9.100 9.100 8.679 0.421 18531
13587 1 53 . 1 1 5 5 LEU N N 5 126.400 126.400 127.793 -1.393 18531
13588 1 53 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.278 0.692 18531
13589 1 53 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.166 -0.366 18531
13590 1 53 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.517 0.083 18531
13591 1 53 . 1 1 5 5 LEU H H 5 8.620 8.620 8.892 -0.272 18531
13592 1 53 . 1 1 6 6 VAL N N 6 127.000 127.000 128.562 -1.562 18531
13593 1 53 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.069 0.091 18531
13594 1 53 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.077 0.223 18531
13595 1 53 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.532 1.168 18531
13596 1 53 . 1 1 6 6 VAL H H 6 9.190 9.190 7.723 1.467 18531
13597 1 53 . 1 1 7 7 ILE N N 7 125.400 125.400 128.948 -3.548 18531
13598 1 53 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.272 -0.182 18531
13599 1 53 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.704 -0.004 18531
13600 1 53 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.709 0.291 18531
13601 1 53 . 1 1 7 7 ILE H H 7 8.800 8.800 7.796 1.004 18531
13602 1 53 . 1 1 8 8 ASN N N 8 128.900 128.900 126.737 2.163 18531
13603 1 53 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.028 0.252 18531
13604 1 53 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.346 -1.546 18531
13605 1 53 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.074 -0.974 18531
13606 1 53 . 1 1 8 8 ASN H H 8 8.990 8.990 8.856 0.134 18531
13607 1 53 . 1 1 9 9 GLY N N 9 110.200 110.200 108.055 2.145 18531
13608 1 53 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.252 0.448 18531
13609 1 53 . 1 1 9 9 GLY H H 9 7.920 7.920 8.345 -0.425 18531
13610 1 53 . 1 1 10 10 LYS N N 10 120.700 120.700 121.799 -1.099 18531
13611 1 53 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.006 0.054 18531
13612 1 53 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.646 0.554 18531
13613 1 53 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.482 0.418 18531
13614 1 53 . 1 1 10 10 LYS H H 10 9.520 9.520 8.706 0.814 18531
13615 1 53 . 1 1 11 11 THR N N 11 108.900 108.900 107.870 1.030 18531
13616 1 53 . 1 1 11 11 THR HA H 11 4.360 4.360 4.332 0.028 18531
13617 1 53 . 1 1 11 11 THR CA C 11 62.000 62.000 62.266 -0.266 18531
13618 1 53 . 1 1 11 11 THR CB C 11 69.800 69.800 69.330 0.470 18531
13619 1 53 . 1 1 11 11 THR H H 11 8.790 8.790 7.459 1.331 18531
13620 1 53 . 1 1 12 12 LEU N N 12 125.700 125.700 124.247 1.453 18531
13621 1 53 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.512 -0.072 18531
13622 1 53 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.156 0.844 18531
13623 1 53 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.237 0.063 18531
13624 1 53 . 1 1 12 12 LEU H H 12 7.580 7.580 7.816 -0.236 18531
13625 1 53 . 1 1 13 13 LYS N N 13 123.500 123.500 125.140 -1.640 18531
13626 1 53 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.830 0.290 18531
13627 1 53 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.363 -1.463 18531
13628 1 53 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.935 -0.135 18531
13629 1 53 . 1 1 13 13 LYS H H 13 8.140 8.140 8.526 -0.386 18531
13630 1 53 . 1 1 14 14 GLY N N 14 109.100 109.100 111.870 -2.770 18531
13631 1 53 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.537 -0.337 18531
13632 1 53 . 1 1 14 14 GLY H H 14 8.340 8.340 8.573 -0.233 18531
13633 1 53 . 1 1 15 15 GLU N N 15 118.200 118.200 118.736 -0.536 18531
13634 1 53 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.345 0.255 18531
13635 1 53 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.585 -1.085 18531
13636 1 53 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.141 0.659 18531
13637 1 53 . 1 1 15 15 GLU H H 15 8.390 8.390 8.502 -0.112 18531
13638 1 53 . 1 1 16 16 THR N N 16 115.600 115.600 113.177 2.423 18531
13639 1 53 . 1 1 16 16 THR HA H 16 4.730 4.730 4.564 0.166 18531
13640 1 53 . 1 1 16 16 THR CA C 16 60.600 60.600 61.695 -1.095 18531
13641 1 53 . 1 1 16 16 THR CB C 16 69.500 69.500 70.154 -0.654 18531
13642 1 53 . 1 1 16 16 THR H H 16 8.820 8.820 8.104 0.716 18531
13643 1 53 . 1 1 17 17 THR N N 17 111.800 111.800 113.705 -1.905 18531
13644 1 53 . 1 1 17 17 THR HA H 17 5.790 5.790 5.346 0.444 18531
13645 1 53 . 1 1 17 17 THR CA C 17 59.800 59.800 61.112 -1.312 18531
13646 1 53 . 1 1 17 17 THR CB C 17 73.100 73.100 72.058 1.042 18531
13647 1 53 . 1 1 17 17 THR H H 17 8.140 8.140 8.356 -0.216 18531
13648 1 53 . 1 1 18 18 THR N N 18 115.100 115.100 115.273 -0.173 18531
13649 1 53 . 1 1 18 18 THR HA H 18 4.640 4.640 4.630 0.010 18531
13650 1 53 . 1 1 18 18 THR CA C 18 61.900 61.900 61.243 0.657 18531
13651 1 53 . 1 1 18 18 THR CB C 18 70.000 70.000 71.213 -1.213 18531
13652 1 53 . 1 1 18 18 THR H H 18 8.930 8.930 8.977 -0.047 18531
13653 1 53 . 1 1 19 19 LYS N N 19 124.300 124.300 126.481 -2.181 18531
13654 1 53 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.836 0.494 18531
13655 1 53 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.658 -0.658 18531
13656 1 53 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.588 0.212 18531
13657 1 53 . 1 1 19 19 LYS H H 19 7.950 7.950 8.422 -0.472 18531
13658 1 53 . 1 1 20 20 ALA N N 20 124.600 124.600 126.943 -2.343 18531
13659 1 53 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.744 0.036 18531
13660 1 53 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.460 -0.560 18531
13661 1 53 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.845 1.955 18531
13662 1 53 . 1 1 20 20 ALA H H 20 9.110 9.110 8.346 0.764 18531
13663 1 53 . 1 1 21 21 VAL N N 21 115.300 115.300 117.609 -2.309 18531
13664 1 53 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.802 0.308 18531
13665 1 53 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.516 -1.216 18531
13666 1 53 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.887 0.313 18531
13667 1 53 . 1 1 21 21 VAL H H 21 8.480 8.480 8.631 -0.151 18531
13668 1 53 . 1 1 22 22 ASP N N 22 115.200 115.200 114.439 0.761 18531
13669 1 53 . 1 1 22 22 ASP HA H 22 4.710 4.710 5.014 -0.304 18531
13670 1 53 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.540 -0.140 18531
13671 1 53 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.278 -0.078 18531
13672 1 53 . 1 1 22 22 ASP H H 22 7.310 7.310 7.674 -0.364 18531
13673 1 53 . 1 1 23 23 ALA N N 23 121.000 121.000 120.849 0.151 18531
13674 1 53 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.627 -0.287 18531
13675 1 53 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.435 0.465 18531
13676 1 53 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.433 -0.933 18531
13677 1 53 . 1 1 23 23 ALA H H 23 8.370 8.370 8.738 -0.368 18531
13678 1 53 . 1 1 24 24 GLU N N 24 118.900 118.900 118.566 0.334 18531
13679 1 53 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.805 0.055 18531
13680 1 53 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.460 0.240 18531
13681 1 53 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.770 0.330 18531
13682 1 53 . 1 1 24 24 GLU H H 24 8.410 8.410 8.391 0.019 18531
13683 1 53 . 1 1 25 25 THR N N 25 117.400 117.400 112.465 4.935 18531
13684 1 53 . 1 1 25 25 THR HA H 25 3.670 3.670 4.173 -0.503 18531
13685 1 53 . 1 1 25 25 THR CA C 25 66.800 66.800 64.249 2.552 18531
13686 1 53 . 1 1 25 25 THR CB C 25 68.000 68.000 68.865 -0.865 18531
13687 1 53 . 1 1 25 25 THR H H 25 8.380 8.380 8.282 0.098 18531
13688 1 53 . 1 1 26 26 ALA N N 26 125.100 125.100 125.038 0.062 18531
13689 1 53 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.647 -0.457 18531
13690 1 53 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.811 0.189 18531
13691 1 53 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.378 -0.078 18531
13692 1 53 . 1 1 26 26 ALA H H 26 7.220 7.220 7.170 0.050 18531
13693 1 53 . 1 1 27 27 GLU N N 27 117.400 117.400 118.205 -0.805 18531
13694 1 53 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.928 -1.338 18531
13695 1 53 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.753 -0.053 18531
13696 1 53 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.453 -0.253 18531
13697 1 53 . 1 1 27 27 GLU H H 27 8.370 8.370 8.352 0.018 18531
13698 1 53 . 1 1 28 28 LYS N N 28 116.300 116.300 118.153 -1.853 18531
13699 1 53 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.945 -0.275 18531
13700 1 53 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.050 0.549 18531
13701 1 53 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.056 0.144 18531
13702 1 53 . 1 1 28 28 LYS H H 28 7.170 7.170 7.687 -0.517 18531
13703 1 53 . 1 1 29 29 ALA N N 29 122.000 122.000 122.070 -0.070 18531
13704 1 53 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.162 -0.072 18531
13705 1 53 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.662 0.038 18531
13706 1 53 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.088 -0.588 18531
13707 1 53 . 1 1 29 29 ALA H H 29 7.200 7.200 7.485 -0.285 18531
13708 1 53 . 1 1 30 30 PHE N N 30 119.600 119.600 118.077 1.523 18531
13709 1 53 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.286 0.494 18531
13710 1 53 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.989 -3.389 18531
13711 1 53 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.260 -0.860 18531
13712 1 53 . 1 1 30 30 PHE H H 30 8.610 8.610 7.896 0.714 18531
13713 1 53 . 1 1 31 31 LYS N N 31 122.800 122.800 118.292 4.508 18531
13714 1 53 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.088 0.002 18531
13715 1 53 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.933 -0.233 18531
13716 1 53 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.426 0.174 18531
13717 1 53 . 1 1 31 31 LYS H H 31 9.030 9.030 8.743 0.287 18531
13718 1 53 . 1 1 32 32 GLN N N 32 119.600 119.600 118.701 0.899 18531
13719 1 53 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.126 -0.096 18531
13720 1 53 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.001 -0.301 18531
13721 1 53 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.762 -0.662 18531
13722 1 53 . 1 1 32 32 GLN H H 32 7.510 7.510 7.726 -0.216 18531
13723 1 53 . 1 1 33 33 TYR N N 33 120.400 120.400 121.440 -1.040 18531
13724 1 53 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.054 0.196 18531
13725 1 53 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.744 0.056 18531
13726 1 53 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.314 0.386 18531
13727 1 53 . 1 1 33 33 TYR H H 33 8.080 8.080 7.754 0.326 18531
13728 1 53 . 1 1 34 34 ALA N N 34 122.300 122.300 120.404 1.896 18531
13729 1 53 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.811 -0.031 18531
13730 1 53 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.472 0.627 18531
13731 1 53 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.276 -0.576 18531
13732 1 53 . 1 1 34 34 ALA H H 34 9.210 9.210 8.505 0.705 18531
13733 1 53 . 1 1 35 35 ASN N N 35 117.700 117.700 117.009 0.691 18531
13734 1 53 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.474 -0.014 18531
13735 1 53 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.124 0.876 18531
13736 1 53 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.010 0.991 18531
13737 1 53 . 1 1 35 35 ASN H H 35 8.390 8.390 8.140 0.250 18531
13738 1 53 . 1 1 36 36 ASP N N 36 121.100 121.100 119.645 1.455 18531
13739 1 53 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.451 -0.091 18531
13740 1 53 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.411 0.289 18531
13741 1 53 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.652 -0.652 18531
13742 1 53 . 1 1 36 36 ASP H H 36 8.830 8.830 8.578 0.252 18531
13743 1 53 . 1 1 37 37 ASN N N 37 115.200 115.200 114.824 0.376 18531
13744 1 53 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.602 0.008 18531
13745 1 53 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.562 0.139 18531
13746 1 53 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.691 0.309 18531
13747 1 53 . 1 1 37 37 ASN H H 37 7.390 7.390 7.900 -0.510 18531
13748 1 53 . 1 1 38 38 GLY N N 38 108.200 108.200 107.217 0.983 18531
13749 1 53 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.307 1.093 18531
13750 1 53 . 1 1 38 38 GLY H H 38 7.800 7.800 8.081 -0.281 18531
13751 1 53 . 1 1 39 39 VAL N N 39 120.800 120.800 122.373 -1.573 18531
13752 1 53 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.516 -0.376 18531
13753 1 53 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.012 -0.312 18531
13754 1 53 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.398 0.902 18531
13755 1 53 . 1 1 39 39 VAL H H 39 8.120 8.120 7.929 0.191 18531
13756 1 53 . 1 1 40 40 ASP N N 40 128.000 128.000 126.391 1.609 18531
13757 1 53 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.916 -0.026 18531
13758 1 53 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.697 -0.897 18531
13759 1 53 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.908 -0.808 18531
13760 1 53 . 1 1 40 40 ASP H H 40 8.770 8.770 8.022 0.748 18531
13761 1 53 . 1 1 41 41 GLY N N 41 107.100 107.100 111.100 -4.000 18531
13762 1 53 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.531 -0.131 18531
13763 1 53 . 1 1 41 41 GLY H H 41 7.910 7.910 8.292 -0.382 18531
13764 1 53 . 1 1 42 42 VAL N N 42 120.300 120.300 119.196 1.104 18531
13765 1 53 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.703 -0.323 18531
13766 1 53 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.048 0.052 18531
13767 1 53 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.806 0.594 18531
13768 1 53 . 1 1 42 42 VAL H H 42 8.250 8.250 8.122 0.128 18531
13769 1 53 . 1 1 43 43 TRP N N 43 130.700 130.700 125.912 4.788 18531
13770 1 53 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.839 -0.479 18531
13771 1 53 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.846 1.754 18531
13772 1 53 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.306 -2.107 18531
13773 1 53 . 1 1 43 43 TRP H H 43 9.360 9.360 8.561 0.799 18531
13774 1 53 . 1 1 44 44 THR N N 44 114.500 114.500 113.863 0.637 18531
13775 1 53 . 1 1 44 44 THR HA H 44 4.830 4.830 4.723 0.107 18531
13776 1 53 . 1 1 44 44 THR CA C 44 60.300 60.300 61.503 -1.203 18531
13777 1 53 . 1 1 44 44 THR CB C 44 72.100 72.100 71.529 0.571 18531
13778 1 53 . 1 1 44 44 THR H H 44 9.400 9.400 8.682 0.718 18531
13779 1 53 . 1 1 45 45 TYR N N 45 120.100 120.100 125.465 -5.365 18531
13780 1 53 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.263 0.707 18531
13781 1 53 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.466 0.534 18531
13782 1 53 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.647 0.953 18531
13783 1 53 . 1 1 45 45 TYR H H 45 8.580 8.580 8.637 -0.057 18531
13784 1 53 . 1 1 46 46 ASP N N 46 128.300 128.300 127.838 0.462 18531
13785 1 53 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.454 0.126 18531
13786 1 53 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.094 -0.194 18531
13787 1 53 . 1 1 46 46 ASP CB C 46 43.100 43.100 42.808 0.292 18531
13788 1 53 . 1 1 46 46 ASP H H 46 7.580 7.580 7.790 -0.210 18531
13789 1 53 . 1 1 47 47 ASP N N 47 124.800 124.800 123.631 1.169 18531
13790 1 53 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.475 -0.365 18531
13791 1 53 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.301 1.199 18531
13792 1 53 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.415 1.685 18531
13793 1 53 . 1 1 47 47 ASP H H 47 8.590 8.590 8.315 0.275 18531
13794 1 53 . 1 1 48 48 ALA N N 48 119.700 119.700 122.881 -3.181 18531
13795 1 53 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.241 -0.151 18531
13796 1 53 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.667 0.333 18531
13797 1 53 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.145 -0.845 18531
13798 1 53 . 1 1 48 48 ALA H H 48 8.340 8.340 7.982 0.358 18531
13799 1 53 . 1 1 49 49 THR N N 49 103.200 103.200 112.248 -9.048 18531
13800 1 53 . 1 1 49 49 THR HA H 49 4.390 4.390 4.434 -0.044 18531
13801 1 53 . 1 1 49 49 THR CA C 49 60.200 60.200 60.626 -0.426 18531
13802 1 53 . 1 1 49 49 THR CB C 49 70.000 70.000 69.571 0.429 18531
13803 1 53 . 1 1 49 49 THR H H 49 7.000 7.000 7.764 -0.764 18531
13804 1 53 . 1 1 50 50 LYS N N 50 123.100 123.100 118.096 5.004 18531
13805 1 53 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.214 -0.024 18531
13806 1 53 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.643 -1.043 18531
13807 1 53 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.273 -0.673 18531
13808 1 53 . 1 1 50 50 LYS H H 50 7.860 7.860 7.960 -0.100 18531
13809 1 53 . 1 1 51 51 THR N N 51 111.200 111.200 114.039 -2.839 18531
13810 1 53 . 1 1 51 51 THR HA H 51 5.490 5.490 4.626 0.864 18531
13811 1 53 . 1 1 51 51 THR CA C 51 62.300 62.300 62.814 -0.514 18531
13812 1 53 . 1 1 51 51 THR CB C 51 72.100 72.100 69.967 2.133 18531
13813 1 53 . 1 1 51 51 THR H H 51 7.390 7.390 7.273 0.117 18531
13814 1 53 . 1 1 52 52 PHE N N 52 131.000 131.000 125.886 5.114 18531
13815 1 53 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.486 0.144 18531
13816 1 53 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.886 1.414 18531
13817 1 53 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.872 -0.272 18531
13818 1 53 . 1 1 52 52 PHE H H 52 10.390 10.390 8.287 2.103 18531
13819 1 53 . 1 1 53 53 THR N N 53 117.400 117.400 116.703 0.697 18531
13820 1 53 . 1 1 53 53 THR HA H 53 5.270 5.270 4.983 0.287 18531
13821 1 53 . 1 1 53 53 THR CA C 53 61.200 61.200 61.594 -0.394 18531
13822 1 53 . 1 1 53 53 THR CB C 53 71.000 71.000 71.421 -0.422 18531
13823 1 53 . 1 1 53 53 THR H H 53 9.180 9.180 8.466 0.714 18531
13824 1 53 . 1 1 54 54 VAL N N 54 123.000 123.000 126.824 -3.824 18531
13825 1 53 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.482 -0.022 18531
13826 1 53 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.372 -2.272 18531
13827 1 53 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.126 -1.826 18531
13828 1 53 . 1 1 54 54 VAL H H 54 8.280 8.280 8.591 -0.311 18531
13829 1 53 . 1 1 55 55 THR N N 55 123.900 123.900 121.434 2.466 18531
13830 1 53 . 1 1 55 55 THR HA H 55 4.700 4.700 4.733 -0.033 18531
13831 1 53 . 1 1 55 55 THR CA C 55 61.200 61.200 59.444 1.756 18531
13832 1 53 . 1 1 55 55 THR CB C 55 70.700 70.700 71.011 -0.311 18531
13833 1 53 . 1 1 55 55 THR H H 55 8.320 8.320 7.945 0.375 18531
13834 1 54 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.254 0.796 18531
13835 1 54 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.348 -0.748 18531
13836 1 54 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.604 2.096 18531
13837 1 54 . 1 1 2 2 GLN H H 2 8.410 8.410 8.596 -0.186 18531
13838 1 54 . 1 1 3 3 TYR N N 3 124.000 124.000 123.088 0.912 18531
13839 1 54 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.827 0.533 18531
13840 1 54 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.057 0.043 18531
13841 1 54 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.460 1.140 18531
13842 1 54 . 1 1 3 3 TYR H H 3 9.070 9.070 9.067 0.003 18531
13843 1 54 . 1 1 4 4 LYS N N 4 122.500 122.500 122.607 -0.107 18531
13844 1 54 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.659 0.561 18531
13845 1 54 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.801 0.199 18531
13846 1 54 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.672 0.328 18531
13847 1 54 . 1 1 4 4 LYS H H 4 9.100 9.100 8.623 0.477 18531
13848 1 54 . 1 1 5 5 LEU N N 5 126.400 126.400 127.977 -1.577 18531
13849 1 54 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.995 -0.025 18531
13850 1 54 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.349 -0.549 18531
13851 1 54 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.684 -1.084 18531
13852 1 54 . 1 1 5 5 LEU H H 5 8.620 8.620 8.023 0.597 18531
13853 1 54 . 1 1 6 6 VAL N N 6 127.000 127.000 128.818 -1.818 18531
13854 1 54 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.191 -0.031 18531
13855 1 54 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.209 0.091 18531
13856 1 54 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.686 0.014 18531
13857 1 54 . 1 1 6 6 VAL H H 6 9.190 9.190 9.207 -0.017 18531
13858 1 54 . 1 1 7 7 ILE N N 7 125.400 125.400 128.241 -2.841 18531
13859 1 54 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.355 -0.265 18531
13860 1 54 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.671 0.029 18531
13861 1 54 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.699 1.301 18531
13862 1 54 . 1 1 7 7 ILE H H 7 8.800 8.800 7.854 0.946 18531
13863 1 54 . 1 1 8 8 ASN N N 8 128.900 128.900 126.700 2.200 18531
13864 1 54 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.877 0.403 18531
13865 1 54 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.181 -1.381 18531
13866 1 54 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.744 -0.644 18531
13867 1 54 . 1 1 8 8 ASN H H 8 8.990 8.990 7.985 1.005 18531
13868 1 54 . 1 1 9 9 GLY N N 9 110.200 110.200 108.025 2.175 18531
13869 1 54 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.867 -0.167 18531
13870 1 54 . 1 1 9 9 GLY H H 9 7.920 7.920 7.573 0.347 18531
13871 1 54 . 1 1 10 10 LYS N N 10 120.700 120.700 119.285 1.415 18531
13872 1 54 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.204 -0.144 18531
13873 1 54 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.228 -0.028 18531
13874 1 54 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.905 -0.005 18531
13875 1 54 . 1 1 10 10 LYS H H 10 9.520 9.520 8.395 1.125 18531
13876 1 54 . 1 1 11 11 THR N N 11 108.900 108.900 110.002 -1.102 18531
13877 1 54 . 1 1 11 11 THR HA H 11 4.360 4.360 4.319 0.041 18531
13878 1 54 . 1 1 11 11 THR CA C 11 62.000 62.000 61.904 0.096 18531
13879 1 54 . 1 1 11 11 THR CB C 11 69.800 69.800 69.463 0.338 18531
13880 1 54 . 1 1 11 11 THR H H 11 8.790 8.790 8.061 0.729 18531
13881 1 54 . 1 1 12 12 LEU N N 12 125.700 125.700 124.986 0.714 18531
13882 1 54 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.291 0.149 18531
13883 1 54 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.094 -0.094 18531
13884 1 54 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.081 1.218 18531
13885 1 54 . 1 1 12 12 LEU H H 12 7.580 7.580 7.957 -0.377 18531
13886 1 54 . 1 1 13 13 LYS N N 13 123.500 123.500 124.030 -0.530 18531
13887 1 54 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.076 0.044 18531
13888 1 54 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.965 -1.065 18531
13889 1 54 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.608 -0.808 18531
13890 1 54 . 1 1 13 13 LYS H H 13 8.140 8.140 8.205 -0.065 18531
13891 1 54 . 1 1 14 14 GLY N N 14 109.100 109.100 109.888 -0.788 18531
13892 1 54 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.070 -0.870 18531
13893 1 54 . 1 1 14 14 GLY H H 14 8.340 8.340 8.266 0.074 18531
13894 1 54 . 1 1 15 15 GLU N N 15 118.200 118.200 119.967 -1.767 18531
13895 1 54 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.046 0.554 18531
13896 1 54 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.777 -1.277 18531
13897 1 54 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.773 1.027 18531
13898 1 54 . 1 1 15 15 GLU H H 15 8.390 8.390 8.463 -0.073 18531
13899 1 54 . 1 1 16 16 THR N N 16 115.600 115.600 121.212 -5.612 18531
13900 1 54 . 1 1 16 16 THR HA H 16 4.730 4.730 4.601 0.129 18531
13901 1 54 . 1 1 16 16 THR CA C 16 60.600 60.600 60.911 -0.311 18531
13902 1 54 . 1 1 16 16 THR CB C 16 69.500 69.500 68.356 1.145 18531
13903 1 54 . 1 1 16 16 THR H H 16 8.820 8.820 8.470 0.350 18531
13904 1 54 . 1 1 17 17 THR N N 17 111.800 111.800 119.958 -8.158 18531
13905 1 54 . 1 1 17 17 THR HA H 17 5.790 5.790 5.115 0.675 18531
13906 1 54 . 1 1 17 17 THR CA C 17 59.800 59.800 60.573 -0.773 18531
13907 1 54 . 1 1 17 17 THR CB C 17 73.100 73.100 70.562 2.538 18531
13908 1 54 . 1 1 17 17 THR H H 17 8.140 8.140 8.563 -0.423 18531
13909 1 54 . 1 1 18 18 THR N N 18 115.100 115.100 116.983 -1.883 18531
13910 1 54 . 1 1 18 18 THR HA H 18 4.640 4.640 4.681 -0.041 18531
13911 1 54 . 1 1 18 18 THR CA C 18 61.900 61.900 61.051 0.849 18531
13912 1 54 . 1 1 18 18 THR CB C 18 70.000 70.000 69.987 0.013 18531
13913 1 54 . 1 1 18 18 THR H H 18 8.930 8.930 9.133 -0.203 18531
13914 1 54 . 1 1 19 19 LYS N N 19 124.300 124.300 119.057 5.243 18531
13915 1 54 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.985 0.345 18531
13916 1 54 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.377 -0.377 18531
13917 1 54 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.529 -0.729 18531
13918 1 54 . 1 1 19 19 LYS H H 19 7.950 7.950 8.378 -0.428 18531
13919 1 54 . 1 1 20 20 ALA N N 20 124.600 124.600 124.002 0.598 18531
13920 1 54 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.546 0.234 18531
13921 1 54 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.551 -0.651 18531
13922 1 54 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.700 2.100 18531
13923 1 54 . 1 1 20 20 ALA H H 20 9.110 9.110 8.148 0.962 18531
13924 1 54 . 1 1 21 21 VAL N N 21 115.300 115.300 117.336 -2.036 18531
13925 1 54 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.938 0.172 18531
13926 1 54 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.570 -1.270 18531
13927 1 54 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.869 0.331 18531
13928 1 54 . 1 1 21 21 VAL H H 21 8.480 8.480 8.530 -0.050 18531
13929 1 54 . 1 1 22 22 ASP N N 22 115.200 115.200 113.852 1.348 18531
13930 1 54 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.812 -0.102 18531
13931 1 54 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.755 -0.355 18531
13932 1 54 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.150 0.050 18531
13933 1 54 . 1 1 22 22 ASP H H 22 7.310 7.310 7.478 -0.168 18531
13934 1 54 . 1 1 23 23 ALA N N 23 121.000 121.000 122.032 -1.032 18531
13935 1 54 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.624 -0.284 18531
13936 1 54 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.922 -0.022 18531
13937 1 54 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.669 -1.169 18531
13938 1 54 . 1 1 23 23 ALA H H 23 8.370 8.370 8.756 -0.386 18531
13939 1 54 . 1 1 24 24 GLU N N 24 118.900 118.900 119.172 -0.272 18531
13940 1 54 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.919 -0.059 18531
13941 1 54 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.681 0.019 18531
13942 1 54 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.020 0.080 18531
13943 1 54 . 1 1 24 24 GLU H H 24 8.410 8.410 8.526 -0.116 18531
13944 1 54 . 1 1 25 25 THR N N 25 117.400 117.400 113.585 3.815 18531
13945 1 54 . 1 1 25 25 THR HA H 25 3.670 3.670 4.164 -0.494 18531
13946 1 54 . 1 1 25 25 THR CA C 25 66.800 66.800 64.161 2.639 18531
13947 1 54 . 1 1 25 25 THR CB C 25 68.000 68.000 68.847 -0.847 18531
13948 1 54 . 1 1 25 25 THR H H 25 8.380 8.380 7.853 0.527 18531
13949 1 54 . 1 1 26 26 ALA N N 26 125.100 125.100 124.494 0.606 18531
13950 1 54 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.592 -0.402 18531
13951 1 54 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.980 0.020 18531
13952 1 54 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.745 -0.445 18531
13953 1 54 . 1 1 26 26 ALA H H 26 7.220 7.220 8.037 -0.817 18531
13954 1 54 . 1 1 27 27 GLU N N 27 117.400 117.400 118.576 -1.176 18531
13955 1 54 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.924 -1.334 18531
13956 1 54 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.790 -0.090 18531
13957 1 54 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.420 -0.220 18531
13958 1 54 . 1 1 27 27 GLU H H 27 8.370 8.370 8.254 0.116 18531
13959 1 54 . 1 1 28 28 LYS N N 28 116.300 116.300 118.974 -2.674 18531
13960 1 54 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.874 -0.204 18531
13961 1 54 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.087 0.513 18531
13962 1 54 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.222 -0.022 18531
13963 1 54 . 1 1 28 28 LYS H H 28 7.170 7.170 7.727 -0.557 18531
13964 1 54 . 1 1 29 29 ALA N N 29 122.000 122.000 120.413 1.587 18531
13965 1 54 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.047 0.043 18531
13966 1 54 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.238 0.462 18531
13967 1 54 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.918 -0.417 18531
13968 1 54 . 1 1 29 29 ALA H H 29 7.200 7.200 7.046 0.154 18531
13969 1 54 . 1 1 30 30 PHE N N 30 119.600 119.600 118.143 1.457 18531
13970 1 54 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.390 0.390 18531
13971 1 54 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.149 -3.549 18531
13972 1 54 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.797 -1.397 18531
13973 1 54 . 1 1 30 30 PHE H H 30 8.610 8.610 7.607 1.003 18531
13974 1 54 . 1 1 31 31 LYS N N 31 122.800 122.800 120.107 2.693 18531
13975 1 54 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.931 0.159 18531
13976 1 54 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.228 0.472 18531
13977 1 54 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.791 -0.191 18531
13978 1 54 . 1 1 31 31 LYS H H 31 9.030 9.030 8.439 0.591 18531
13979 1 54 . 1 1 32 32 GLN N N 32 119.600 119.600 116.703 2.897 18531
13980 1 54 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.263 -0.233 18531
13981 1 54 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.525 1.175 18531
13982 1 54 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.790 -0.690 18531
13983 1 54 . 1 1 32 32 GLN H H 32 7.510 7.510 7.640 -0.130 18531
13984 1 54 . 1 1 33 33 TYR N N 33 120.400 120.400 120.763 -0.363 18531
13985 1 54 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.417 -0.167 18531
13986 1 54 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.554 1.246 18531
13987 1 54 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.427 -0.727 18531
13988 1 54 . 1 1 33 33 TYR H H 33 8.080 8.080 8.249 -0.169 18531
13989 1 54 . 1 1 34 34 ALA N N 34 122.300 122.300 121.506 0.794 18531
13990 1 54 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.832 -0.052 18531
13991 1 54 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.692 0.408 18531
13992 1 54 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.144 -0.444 18531
13993 1 54 . 1 1 34 34 ALA H H 34 9.210 9.210 8.301 0.909 18531
13994 1 54 . 1 1 35 35 ASN N N 35 117.700 117.700 115.194 2.506 18531
13995 1 54 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531
13996 1 54 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.803 1.197 18531
13997 1 54 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.268 0.732 18531
13998 1 54 . 1 1 35 35 ASN H H 35 8.390 8.390 8.241 0.149 18531
13999 1 54 . 1 1 36 36 ASP N N 36 121.100 121.100 118.328 2.772 18531
14000 1 54 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.595 -0.235 18531
14001 1 54 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.651 1.049 18531
14002 1 54 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.421 -1.421 18531
14003 1 54 . 1 1 36 36 ASP H H 36 8.830 8.830 7.970 0.860 18531
14004 1 54 . 1 1 37 37 ASN N N 37 115.200 115.200 115.644 -0.444 18531
14005 1 54 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.617 -0.007 18531
14006 1 54 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.774 -0.074 18531
14007 1 54 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.743 0.257 18531
14008 1 54 . 1 1 37 37 ASN H H 37 7.390 7.390 8.053 -0.663 18531
14009 1 54 . 1 1 38 38 GLY N N 38 108.200 108.200 108.180 0.020 18531
14010 1 54 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.254 1.146 18531
14011 1 54 . 1 1 38 38 GLY H H 38 7.800 7.800 8.055 -0.255 18531
14012 1 54 . 1 1 39 39 VAL N N 39 120.800 120.800 121.762 -0.962 18531
14013 1 54 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.073 0.067 18531
14014 1 54 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.053 -0.353 18531
14015 1 54 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.505 0.795 18531
14016 1 54 . 1 1 39 39 VAL H H 39 8.120 8.120 8.139 -0.019 18531
14017 1 54 . 1 1 40 40 ASP N N 40 128.000 128.000 126.793 1.207 18531
14018 1 54 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.003 -0.113 18531
14019 1 54 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.952 -0.152 18531
14020 1 54 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.316 -1.216 18531
14021 1 54 . 1 1 40 40 ASP H H 40 8.770 8.770 8.123 0.647 18531
14022 1 54 . 1 1 41 41 GLY N N 41 107.100 107.100 109.753 -2.653 18531
14023 1 54 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.623 -0.223 18531
14024 1 54 . 1 1 41 41 GLY H H 41 7.910 7.910 8.383 -0.473 18531
14025 1 54 . 1 1 42 42 VAL N N 42 120.300 120.300 123.163 -2.863 18531
14026 1 54 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.316 0.064 18531
14027 1 54 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.039 0.061 18531
14028 1 54 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.889 0.511 18531
14029 1 54 . 1 1 42 42 VAL H H 42 8.250 8.250 7.903 0.347 18531
14030 1 54 . 1 1 43 43 TRP N N 43 130.700 130.700 126.539 4.161 18531
14031 1 54 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.038 0.322 18531
14032 1 54 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.139 1.460 18531
14033 1 54 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.847 -0.647 18531
14034 1 54 . 1 1 43 43 TRP H H 43 9.360 9.360 8.509 0.851 18531
14035 1 54 . 1 1 44 44 THR N N 44 114.500 114.500 116.197 -1.697 18531
14036 1 54 . 1 1 44 44 THR HA H 44 4.830 4.830 4.899 -0.069 18531
14037 1 54 . 1 1 44 44 THR CA C 44 60.300 60.300 60.744 -0.444 18531
14038 1 54 . 1 1 44 44 THR CB C 44 72.100 72.100 70.703 1.397 18531
14039 1 54 . 1 1 44 44 THR H H 44 9.400 9.400 8.359 1.041 18531
14040 1 54 . 1 1 45 45 TYR N N 45 120.100 120.100 118.624 1.476 18531
14041 1 54 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.040 -0.070 18531
14042 1 54 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.590 0.410 18531
14043 1 54 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.170 0.430 18531
14044 1 54 . 1 1 45 45 TYR H H 45 8.580 8.580 8.065 0.515 18531
14045 1 54 . 1 1 46 46 ASP N N 46 128.300 128.300 122.029 6.271 18531
14046 1 54 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.490 0.090 18531
14047 1 54 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.681 0.219 18531
14048 1 54 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.219 -1.119 18531
14049 1 54 . 1 1 46 46 ASP H H 46 7.580 7.580 7.944 -0.364 18531
14050 1 54 . 1 1 47 47 ASP N N 47 124.800 124.800 123.692 1.108 18531
14051 1 54 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.787 -0.677 18531
14052 1 54 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.877 1.623 18531
14053 1 54 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.642 1.458 18531
14054 1 54 . 1 1 47 47 ASP H H 47 8.590 8.590 8.398 0.192 18531
14055 1 54 . 1 1 48 48 ALA N N 48 119.700 119.700 121.578 -1.878 18531
14056 1 54 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.487 -0.397 18531
14057 1 54 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.455 1.545 18531
14058 1 54 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.129 -1.829 18531
14059 1 54 . 1 1 48 48 ALA H H 48 8.340 8.340 8.134 0.206 18531
14060 1 54 . 1 1 49 49 THR N N 49 103.200 103.200 111.447 -8.247 18531
14061 1 54 . 1 1 49 49 THR HA H 49 4.390 4.390 4.325 0.065 18531
14062 1 54 . 1 1 49 49 THR CA C 49 60.200 60.200 61.306 -1.106 18531
14063 1 54 . 1 1 49 49 THR CB C 49 70.000 70.000 69.083 0.917 18531
14064 1 54 . 1 1 49 49 THR H H 49 7.000 7.000 7.866 -0.866 18531
14065 1 54 . 1 1 50 50 LYS N N 50 123.100 123.100 117.339 5.761 18531
14066 1 54 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.344 -0.154 18531
14067 1 54 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.236 -0.636 18531
14068 1 54 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.153 -0.553 18531
14069 1 54 . 1 1 50 50 LYS H H 50 7.860 7.860 7.887 -0.027 18531
14070 1 54 . 1 1 51 51 THR N N 51 111.200 111.200 115.830 -4.630 18531
14071 1 54 . 1 1 51 51 THR HA H 51 5.490 5.490 4.684 0.806 18531
14072 1 54 . 1 1 51 51 THR CA C 51 62.300 62.300 62.405 -0.105 18531
14073 1 54 . 1 1 51 51 THR CB C 51 72.100 72.100 69.771 2.329 18531
14074 1 54 . 1 1 51 51 THR H H 51 7.390 7.390 7.616 -0.226 18531
14075 1 54 . 1 1 52 52 PHE N N 52 131.000 131.000 128.461 2.539 18531
14076 1 54 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.097 0.533 18531
14077 1 54 . 1 1 52 52 PHE CA C 52 57.300 57.300 57.065 0.235 18531
14078 1 54 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.912 0.688 18531
14079 1 54 . 1 1 52 52 PHE H H 52 10.390 10.390 8.789 1.601 18531
14080 1 54 . 1 1 53 53 THR N N 53 117.400 117.400 119.334 -1.934 18531
14081 1 54 . 1 1 53 53 THR HA H 53 5.270 5.270 5.248 0.022 18531
14082 1 54 . 1 1 53 53 THR CA C 53 61.200 61.200 61.205 -0.005 18531
14083 1 54 . 1 1 53 53 THR CB C 53 71.000 71.000 72.204 -1.204 18531
14084 1 54 . 1 1 53 53 THR H H 53 9.180 9.180 8.441 0.739 18531
14085 1 54 . 1 1 54 54 VAL N N 54 123.000 123.000 124.798 -1.798 18531
14086 1 54 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.401 0.059 18531
14087 1 54 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.401 -2.301 18531
14088 1 54 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.334 -1.034 18531
14089 1 54 . 1 1 54 54 VAL H H 54 8.280 8.280 8.876 -0.596 18531
14090 1 54 . 1 1 55 55 THR N N 55 123.900 123.900 122.001 1.899 18531
14091 1 54 . 1 1 55 55 THR HA H 55 4.700 4.700 4.567 0.133 18531
14092 1 54 . 1 1 55 55 THR CA C 55 61.200 61.200 60.766 0.434 18531
14093 1 54 . 1 1 55 55 THR CB C 55 70.700 70.700 70.130 0.570 18531
14094 1 54 . 1 1 55 55 THR H H 55 8.320 8.320 7.988 0.332 18531
14095 1 55 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.817 0.233 18531
14096 1 55 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.528 1.073 18531
14097 1 55 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.918 0.782 18531
14098 1 55 . 1 1 2 2 GLN H H 2 8.410 8.410 8.080 0.330 18531
14099 1 55 . 1 1 3 3 TYR N N 3 124.000 124.000 123.569 0.431 18531
14100 1 55 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.888 0.472 18531
14101 1 55 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.660 0.440 18531
14102 1 55 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.600 2.000 18531
14103 1 55 . 1 1 3 3 TYR H H 3 9.070 9.070 8.888 0.182 18531
14104 1 55 . 1 1 4 4 LYS N N 4 122.500 122.500 121.929 0.571 18531
14105 1 55 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.670 0.550 18531
14106 1 55 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.125 -0.125 18531
14107 1 55 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.752 0.248 18531
14108 1 55 . 1 1 4 4 LYS H H 4 9.100 9.100 8.811 0.289 18531
14109 1 55 . 1 1 5 5 LEU N N 5 126.400 126.400 128.887 -2.487 18531
14110 1 55 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.595 0.375 18531
14111 1 55 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.608 -0.808 18531
14112 1 55 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.493 -0.893 18531
14113 1 55 . 1 1 5 5 LEU H H 5 8.620 8.620 8.177 0.443 18531
14114 1 55 . 1 1 6 6 VAL N N 6 127.000 127.000 128.194 -1.194 18531
14115 1 55 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.217 -0.057 18531
14116 1 55 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.622 0.678 18531
14117 1 55 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.864 0.836 18531
14118 1 55 . 1 1 6 6 VAL H H 6 9.190 9.190 9.106 0.084 18531
14119 1 55 . 1 1 7 7 ILE N N 7 125.400 125.400 128.085 -2.685 18531
14120 1 55 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.390 -0.300 18531
14121 1 55 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.576 0.124 18531
14122 1 55 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.787 -0.787 18531
14123 1 55 . 1 1 7 7 ILE H H 7 8.800 8.800 7.779 1.021 18531
14124 1 55 . 1 1 8 8 ASN N N 8 128.900 128.900 123.469 5.431 18531
14125 1 55 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.987 0.293 18531
14126 1 55 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.688 -1.887 18531
14127 1 55 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.338 -2.238 18531
14128 1 55 . 1 1 8 8 ASN H H 8 8.990 8.990 8.911 0.079 18531
14129 1 55 . 1 1 9 9 GLY N N 9 110.200 110.200 108.465 1.735 18531
14130 1 55 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.551 1.149 18531
14131 1 55 . 1 1 9 9 GLY H H 9 7.920 7.920 8.208 -0.288 18531
14132 1 55 . 1 1 10 10 LYS N N 10 120.700 120.700 120.550 0.150 18531
14133 1 55 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.173 -0.113 18531
14134 1 55 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.660 0.540 18531
14135 1 55 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.893 0.007 18531
14136 1 55 . 1 1 10 10 LYS H H 10 9.520 9.520 8.465 1.055 18531
14137 1 55 . 1 1 11 11 THR N N 11 108.900 108.900 111.288 -2.388 18531
14138 1 55 . 1 1 11 11 THR HA H 11 4.360 4.360 4.401 -0.041 18531
14139 1 55 . 1 1 11 11 THR CA C 11 62.000 62.000 62.053 -0.053 18531
14140 1 55 . 1 1 11 11 THR CB C 11 69.800 69.800 69.598 0.202 18531
14141 1 55 . 1 1 11 11 THR H H 11 8.790 8.790 8.116 0.674 18531
14142 1 55 . 1 1 12 12 LEU N N 12 125.700 125.700 123.283 2.417 18531
14143 1 55 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.502 -0.062 18531
14144 1 55 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.678 -0.678 18531
14145 1 55 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.370 -2.070 18531
14146 1 55 . 1 1 12 12 LEU H H 12 7.580 7.580 7.564 0.016 18531
14147 1 55 . 1 1 13 13 LYS N N 13 123.500 123.500 124.074 -0.574 18531
14148 1 55 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.629 0.491 18531
14149 1 55 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.387 -2.487 18531
14150 1 55 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.213 1.587 18531
14151 1 55 . 1 1 13 13 LYS H H 13 8.140 8.140 8.545 -0.405 18531
14152 1 55 . 1 1 14 14 GLY N N 14 109.100 109.100 108.842 0.258 18531
14153 1 55 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.556 0.644 18531
14154 1 55 . 1 1 14 14 GLY H H 14 8.340 8.340 8.038 0.302 18531
14155 1 55 . 1 1 15 15 GLU N N 15 118.200 118.200 119.762 -1.562 18531
14156 1 55 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.763 0.837 18531
14157 1 55 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.611 -1.111 18531
14158 1 55 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.521 1.279 18531
14159 1 55 . 1 1 15 15 GLU H H 15 8.390 8.390 8.402 -0.012 18531
14160 1 55 . 1 1 16 16 THR N N 16 115.600 115.600 119.778 -4.178 18531
14161 1 55 . 1 1 16 16 THR HA H 16 4.730 4.730 4.634 0.096 18531
14162 1 55 . 1 1 16 16 THR CA C 16 60.600 60.600 61.328 -0.728 18531
14163 1 55 . 1 1 16 16 THR CB C 16 69.500 69.500 68.701 0.799 18531
14164 1 55 . 1 1 16 16 THR H H 16 8.820 8.820 8.425 0.395 18531
14165 1 55 . 1 1 17 17 THR N N 17 111.800 111.800 119.915 -8.115 18531
14166 1 55 . 1 1 17 17 THR HA H 17 5.790 5.790 5.183 0.607 18531
14167 1 55 . 1 1 17 17 THR CA C 17 59.800 59.800 60.418 -0.618 18531
14168 1 55 . 1 1 17 17 THR CB C 17 73.100 73.100 70.552 2.548 18531
14169 1 55 . 1 1 17 17 THR H H 17 8.140 8.140 8.593 -0.453 18531
14170 1 55 . 1 1 18 18 THR N N 18 115.100 115.100 116.695 -1.595 18531
14171 1 55 . 1 1 18 18 THR HA H 18 4.640 4.640 4.633 0.007 18531
14172 1 55 . 1 1 18 18 THR CA C 18 61.900 61.900 60.932 0.968 18531
14173 1 55 . 1 1 18 18 THR CB C 18 70.000 70.000 70.097 -0.096 18531
14174 1 55 . 1 1 18 18 THR H H 18 8.930 8.930 9.352 -0.422 18531
14175 1 55 . 1 1 19 19 LYS N N 19 124.300 124.300 119.658 4.642 18531
14176 1 55 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.108 0.222 18531
14177 1 55 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.934 0.066 18531
14178 1 55 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.601 -1.801 18531
14179 1 55 . 1 1 19 19 LYS H H 19 7.950 7.950 8.216 -0.266 18531
14180 1 55 . 1 1 20 20 ALA N N 20 124.600 124.600 123.138 1.462 18531
14181 1 55 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.646 0.134 18531
14182 1 55 . 1 1 20 20 ALA CA C 20 50.900 50.900 52.044 -1.144 18531
14183 1 55 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.701 2.099 18531
14184 1 55 . 1 1 20 20 ALA H H 20 9.110 9.110 7.868 1.242 18531
14185 1 55 . 1 1 21 21 VAL N N 21 115.300 115.300 116.069 -0.769 18531
14186 1 55 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.887 0.223 18531
14187 1 55 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.270 -0.970 18531
14188 1 55 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.157 0.043 18531
14189 1 55 . 1 1 21 21 VAL H H 21 8.480 8.480 8.528 -0.048 18531
14190 1 55 . 1 1 22 22 ASP N N 22 115.200 115.200 113.941 1.259 18531
14191 1 55 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.930 -0.220 18531
14192 1 55 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.794 -0.394 18531
14193 1 55 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.130 0.070 18531
14194 1 55 . 1 1 22 22 ASP H H 22 7.310 7.310 7.634 -0.324 18531
14195 1 55 . 1 1 23 23 ALA N N 23 121.000 121.000 122.232 -1.232 18531
14196 1 55 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.534 -0.194 18531
14197 1 55 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.930 -0.030 18531
14198 1 55 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.369 -0.869 18531
14199 1 55 . 1 1 23 23 ALA H H 23 8.370 8.370 8.651 -0.281 18531
14200 1 55 . 1 1 24 24 GLU N N 24 118.900 118.900 119.509 -0.609 18531
14201 1 55 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.948 -0.088 18531
14202 1 55 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.371 0.329 18531
14203 1 55 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.179 -0.079 18531
14204 1 55 . 1 1 24 24 GLU H H 24 8.410 8.410 8.309 0.101 18531
14205 1 55 . 1 1 25 25 THR N N 25 117.400 117.400 113.264 4.136 18531
14206 1 55 . 1 1 25 25 THR HA H 25 3.670 3.670 4.213 -0.543 18531
14207 1 55 . 1 1 25 25 THR CA C 25 66.800 66.800 63.880 2.920 18531
14208 1 55 . 1 1 25 25 THR CB C 25 68.000 68.000 68.867 -0.867 18531
14209 1 55 . 1 1 25 25 THR H H 25 8.380 8.380 7.953 0.427 18531
14210 1 55 . 1 1 26 26 ALA N N 26 125.100 125.100 124.830 0.270 18531
14211 1 55 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.776 -0.586 18531
14212 1 55 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.969 0.031 18531
14213 1 55 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.853 -0.553 18531
14214 1 55 . 1 1 26 26 ALA H H 26 7.220 7.220 8.124 -0.904 18531
14215 1 55 . 1 1 27 27 GLU N N 27 117.400 117.400 118.402 -1.002 18531
14216 1 55 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.922 -1.332 18531
14217 1 55 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.740 -0.040 18531
14218 1 55 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.541 -0.341 18531
14219 1 55 . 1 1 27 27 GLU H H 27 8.370 8.370 8.282 0.088 18531
14220 1 55 . 1 1 28 28 LYS N N 28 116.300 116.300 118.712 -2.412 18531
14221 1 55 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.900 -0.230 18531
14222 1 55 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.041 0.559 18531
14223 1 55 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.188 0.012 18531
14224 1 55 . 1 1 28 28 LYS H H 28 7.170 7.170 7.743 -0.573 18531
14225 1 55 . 1 1 29 29 ALA N N 29 122.000 122.000 121.225 0.775 18531
14226 1 55 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.033 0.057 18531
14227 1 55 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.378 0.322 18531
14228 1 55 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.052 -0.552 18531
14229 1 55 . 1 1 29 29 ALA H H 29 7.200 7.200 7.248 -0.048 18531
14230 1 55 . 1 1 30 30 PHE N N 30 119.600 119.600 118.298 1.302 18531
14231 1 55 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.414 0.366 18531
14232 1 55 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.802 -3.202 18531
14233 1 55 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.754 -1.354 18531
14234 1 55 . 1 1 30 30 PHE H H 30 8.610 8.610 7.594 1.016 18531
14235 1 55 . 1 1 31 31 LYS N N 31 122.800 122.800 119.745 3.055 18531
14236 1 55 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.167 -0.077 18531
14237 1 55 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.276 0.424 18531
14238 1 55 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.862 -0.262 18531
14239 1 55 . 1 1 31 31 LYS H H 31 9.030 9.030 8.232 0.798 18531
14240 1 55 . 1 1 32 32 GLN N N 32 119.600 119.600 116.987 2.613 18531
14241 1 55 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.260 -0.230 18531
14242 1 55 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.868 0.832 18531
14243 1 55 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.697 -0.597 18531
14244 1 55 . 1 1 32 32 GLN H H 32 7.510 7.510 7.611 -0.101 18531
14245 1 55 . 1 1 33 33 TYR N N 33 120.400 120.400 120.156 0.244 18531
14246 1 55 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.449 -0.199 18531
14247 1 55 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.328 1.472 18531
14248 1 55 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.772 -1.072 18531
14249 1 55 . 1 1 33 33 TYR H H 33 8.080 8.080 8.165 -0.085 18531
14250 1 55 . 1 1 34 34 ALA N N 34 122.300 122.300 121.032 1.268 18531
14251 1 55 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.822 -0.042 18531
14252 1 55 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.541 0.559 18531
14253 1 55 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.206 -0.506 18531
14254 1 55 . 1 1 34 34 ALA H H 34 9.210 9.210 8.154 1.056 18531
14255 1 55 . 1 1 35 35 ASN N N 35 117.700 117.700 115.211 2.489 18531
14256 1 55 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531
14257 1 55 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.737 1.263 18531
14258 1 55 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.357 0.643 18531
14259 1 55 . 1 1 35 35 ASN H H 35 8.390 8.390 8.162 0.228 18531
14260 1 55 . 1 1 36 36 ASP N N 36 121.100 121.100 117.557 3.543 18531
14261 1 55 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.651 -0.291 18531
14262 1 55 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.057 1.643 18531
14263 1 55 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.423 -1.423 18531
14264 1 55 . 1 1 36 36 ASP H H 36 8.830 8.830 7.875 0.955 18531
14265 1 55 . 1 1 37 37 ASN N N 37 115.200 115.200 116.074 -0.874 18531
14266 1 55 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.657 -0.047 18531
14267 1 55 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.272 0.428 18531
14268 1 55 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.899 0.101 18531
14269 1 55 . 1 1 37 37 ASN H H 37 7.390 7.390 7.629 -0.239 18531
14270 1 55 . 1 1 38 38 GLY N N 38 108.200 108.200 108.109 0.091 18531
14271 1 55 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.318 1.082 18531
14272 1 55 . 1 1 38 38 GLY H H 38 7.800 7.800 8.053 -0.253 18531
14273 1 55 . 1 1 39 39 VAL N N 39 120.800 120.800 121.608 -0.808 18531
14274 1 55 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.176 -0.036 18531
14275 1 55 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.157 0.543 18531
14276 1 55 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.892 1.408 18531
14277 1 55 . 1 1 39 39 VAL H H 39 8.120 8.120 8.036 0.084 18531
14278 1 55 . 1 1 40 40 ASP N N 40 128.000 128.000 126.352 1.648 18531
14279 1 55 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.886 0.004 18531
14280 1 55 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.166 -0.366 18531
14281 1 55 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.055 -0.955 18531
14282 1 55 . 1 1 40 40 ASP H H 40 8.770 8.770 8.495 0.275 18531
14283 1 55 . 1 1 41 41 GLY N N 41 107.100 107.100 109.377 -2.277 18531
14284 1 55 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.623 -0.223 18531
14285 1 55 . 1 1 41 41 GLY H H 41 7.910 7.910 8.141 -0.231 18531
14286 1 55 . 1 1 42 42 VAL N N 42 120.300 120.300 119.875 0.425 18531
14287 1 55 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.571 -0.191 18531
14288 1 55 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.359 1.741 18531
14289 1 55 . 1 1 42 42 VAL CB C 42 33.400 33.400 34.109 -0.709 18531
14290 1 55 . 1 1 42 42 VAL H H 42 8.250 8.250 8.535 -0.285 18531
14291 1 55 . 1 1 43 43 TRP N N 43 130.700 130.700 124.232 6.468 18531
14292 1 55 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.324 0.036 18531
14293 1 55 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.098 1.502 18531
14294 1 55 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.170 -0.970 18531
14295 1 55 . 1 1 43 43 TRP H H 43 9.360 9.360 8.552 0.808 18531
14296 1 55 . 1 1 44 44 THR N N 44 114.500 114.500 119.374 -4.874 18531
14297 1 55 . 1 1 44 44 THR HA H 44 4.830 4.830 4.746 0.084 18531
14298 1 55 . 1 1 44 44 THR CA C 44 60.300 60.300 61.350 -1.050 18531
14299 1 55 . 1 1 44 44 THR CB C 44 72.100 72.100 69.938 2.163 18531
14300 1 55 . 1 1 44 44 THR H H 44 9.400 9.400 8.448 0.952 18531
14301 1 55 . 1 1 45 45 TYR N N 45 120.100 120.100 126.143 -6.043 18531
14302 1 55 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.144 -0.174 18531
14303 1 55 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.153 1.847 18531
14304 1 55 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.593 1.007 18531
14305 1 55 . 1 1 45 45 TYR H H 45 8.580 8.580 8.576 0.004 18531
14306 1 55 . 1 1 46 46 ASP N N 46 128.300 128.300 123.983 4.317 18531
14307 1 55 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.403 0.177 18531
14308 1 55 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.490 0.410 18531
14309 1 55 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.122 -0.022 18531
14310 1 55 . 1 1 46 46 ASP H H 46 7.580 7.580 8.347 -0.767 18531
14311 1 55 . 1 1 47 47 ASP N N 47 124.800 124.800 124.685 0.115 18531
14312 1 55 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.707 -0.597 18531
14313 1 55 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.473 1.027 18531
14314 1 55 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.498 1.602 18531
14315 1 55 . 1 1 47 47 ASP H H 47 8.590 8.590 8.327 0.263 18531
14316 1 55 . 1 1 48 48 ALA N N 48 119.700 119.700 122.364 -2.664 18531
14317 1 55 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.452 -0.362 18531
14318 1 55 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.021 0.979 18531
14319 1 55 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.630 -2.329 18531
14320 1 55 . 1 1 48 48 ALA H H 48 8.340 8.340 8.285 0.055 18531
14321 1 55 . 1 1 49 49 THR N N 49 103.200 103.200 113.062 -9.862 18531
14322 1 55 . 1 1 49 49 THR HA H 49 4.390 4.390 4.572 -0.182 18531
14323 1 55 . 1 1 49 49 THR CA C 49 60.200 60.200 60.871 -0.671 18531
14324 1 55 . 1 1 49 49 THR CB C 49 70.000 70.000 69.420 0.580 18531
14325 1 55 . 1 1 49 49 THR H H 49 7.000 7.000 7.973 -0.973 18531
14326 1 55 . 1 1 50 50 LYS N N 50 123.100 123.100 117.754 5.346 18531
14327 1 55 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.262 -0.072 18531
14328 1 55 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.581 -0.981 18531
14329 1 55 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.752 -1.152 18531
14330 1 55 . 1 1 50 50 LYS H H 50 7.860 7.860 8.023 -0.163 18531
14331 1 55 . 1 1 51 51 THR N N 51 111.200 111.200 115.158 -3.958 18531
14332 1 55 . 1 1 51 51 THR HA H 51 5.490 5.490 4.756 0.734 18531
14333 1 55 . 1 1 51 51 THR CA C 51 62.300 62.300 62.719 -0.419 18531
14334 1 55 . 1 1 51 51 THR CB C 51 72.100 72.100 71.526 0.574 18531
14335 1 55 . 1 1 51 51 THR H H 51 7.390 7.390 7.657 -0.267 18531
14336 1 55 . 1 1 52 52 PHE N N 52 131.000 131.000 127.867 3.133 18531
14337 1 55 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.142 0.488 18531
14338 1 55 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.662 0.638 18531
14339 1 55 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.068 0.532 18531
14340 1 55 . 1 1 52 52 PHE H H 52 10.390 10.390 9.015 1.375 18531
14341 1 55 . 1 1 53 53 THR N N 53 117.400 117.400 120.465 -3.065 18531
14342 1 55 . 1 1 53 53 THR HA H 53 5.270 5.270 5.160 0.110 18531
14343 1 55 . 1 1 53 53 THR CA C 53 61.200 61.200 60.996 0.204 18531
14344 1 55 . 1 1 53 53 THR CB C 53 71.000 71.000 70.824 0.176 18531
14345 1 55 . 1 1 53 53 THR H H 53 9.180 9.180 9.249 -0.069 18531
14346 1 55 . 1 1 54 54 VAL N N 54 123.000 123.000 127.286 -4.286 18531
14347 1 55 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.248 0.212 18531
14348 1 55 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.691 -2.591 18531
14349 1 55 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.580 -0.280 18531
14350 1 55 . 1 1 54 54 VAL H H 54 8.280 8.280 8.874 -0.594 18531
14351 1 55 . 1 1 55 55 THR N N 55 123.900 123.900 123.173 0.727 18531
14352 1 55 . 1 1 55 55 THR HA H 55 4.700 4.700 4.422 0.278 18531
14353 1 55 . 1 1 55 55 THR CA C 55 61.200 61.200 62.324 -1.124 18531
14354 1 55 . 1 1 55 55 THR CB C 55 70.700 70.700 69.634 1.066 18531
14355 1 55 . 1 1 55 55 THR H H 55 8.320 8.320 8.363 -0.043 18531
14356 1 56 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.924 0.126 18531
14357 1 56 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.641 -0.041 18531
14358 1 56 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.178 -1.478 18531
14359 1 56 . 1 1 2 2 GLN H H 2 8.410 8.410 8.135 0.275 18531
14360 1 56 . 1 1 3 3 TYR N N 3 124.000 124.000 123.551 0.449 18531
14361 1 56 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.891 0.469 18531
14362 1 56 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.600 0.500 18531
14363 1 56 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.639 0.961 18531
14364 1 56 . 1 1 3 3 TYR H H 3 9.070 9.070 9.506 -0.436 18531
14365 1 56 . 1 1 4 4 LYS N N 4 122.500 122.500 122.551 -0.051 18531
14366 1 56 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.644 0.576 18531
14367 1 56 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.983 0.017 18531
14368 1 56 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.298 0.702 18531
14369 1 56 . 1 1 4 4 LYS H H 4 9.100 9.100 8.613 0.487 18531
14370 1 56 . 1 1 5 5 LEU N N 5 126.400 126.400 128.907 -2.507 18531
14371 1 56 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.605 0.365 18531
14372 1 56 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.378 -0.578 18531
14373 1 56 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.700 -0.100 18531
14374 1 56 . 1 1 5 5 LEU H H 5 8.620 8.620 8.411 0.209 18531
14375 1 56 . 1 1 6 6 VAL N N 6 127.000 127.000 129.483 -2.483 18531
14376 1 56 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.198 -0.038 18531
14377 1 56 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.294 1.006 18531
14378 1 56 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.373 1.327 18531
14379 1 56 . 1 1 6 6 VAL H H 6 9.190 9.190 9.272 -0.082 18531
14380 1 56 . 1 1 7 7 ILE N N 7 125.400 125.400 128.874 -3.474 18531
14381 1 56 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.410 -0.320 18531
14382 1 56 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.742 -0.042 18531
14383 1 56 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.319 -0.319 18531
14384 1 56 . 1 1 7 7 ILE H H 7 8.800 8.800 7.913 0.887 18531
14385 1 56 . 1 1 8 8 ASN N N 8 128.900 128.900 124.073 4.827 18531
14386 1 56 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.928 0.352 18531
14387 1 56 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.492 -1.692 18531
14388 1 56 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.848 -1.748 18531
14389 1 56 . 1 1 8 8 ASN H H 8 8.990 8.990 8.894 0.096 18531
14390 1 56 . 1 1 9 9 GLY N N 9 110.200 110.200 107.534 2.666 18531
14391 1 56 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.230 0.470 18531
14392 1 56 . 1 1 9 9 GLY H H 9 7.920 7.920 7.719 0.201 18531
14393 1 56 . 1 1 10 10 LYS N N 10 120.700 120.700 120.360 0.340 18531
14394 1 56 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.069 -0.009 18531
14395 1 56 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.833 0.367 18531
14396 1 56 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.635 0.266 18531
14397 1 56 . 1 1 10 10 LYS H H 10 9.520 9.520 8.701 0.819 18531
14398 1 56 . 1 1 11 11 THR N N 11 108.900 108.900 108.608 0.292 18531
14399 1 56 . 1 1 11 11 THR HA H 11 4.360 4.360 4.351 0.009 18531
14400 1 56 . 1 1 11 11 THR CA C 11 62.000 62.000 62.864 -0.864 18531
14401 1 56 . 1 1 11 11 THR CB C 11 69.800 69.800 68.944 0.856 18531
14402 1 56 . 1 1 11 11 THR H H 11 8.790 8.790 7.581 1.209 18531
14403 1 56 . 1 1 12 12 LEU N N 12 125.700 125.700 124.880 0.820 18531
14404 1 56 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.526 -0.086 18531
14405 1 56 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.242 0.758 18531
14406 1 56 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.107 1.193 18531
14407 1 56 . 1 1 12 12 LEU H H 12 7.580 7.580 7.798 -0.218 18531
14408 1 56 . 1 1 13 13 LYS N N 13 123.500 123.500 124.916 -1.416 18531
14409 1 56 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.584 0.536 18531
14410 1 56 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.233 -1.333 18531
14411 1 56 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.082 -0.282 18531
14412 1 56 . 1 1 13 13 LYS H H 13 8.140 8.140 8.368 -0.228 18531
14413 1 56 . 1 1 14 14 GLY N N 14 109.100 109.100 109.919 -0.819 18531
14414 1 56 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.718 -0.518 18531
14415 1 56 . 1 1 14 14 GLY H H 14 8.340 8.340 8.202 0.138 18531
14416 1 56 . 1 1 15 15 GLU N N 15 118.200 118.200 120.501 -2.301 18531
14417 1 56 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.216 0.384 18531
14418 1 56 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.556 -1.056 18531
14419 1 56 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.944 0.856 18531
14420 1 56 . 1 1 15 15 GLU H H 15 8.390 8.390 8.429 -0.039 18531
14421 1 56 . 1 1 16 16 THR N N 16 115.600 115.600 123.064 -7.464 18531
14422 1 56 . 1 1 16 16 THR HA H 16 4.730 4.730 4.547 0.183 18531
14423 1 56 . 1 1 16 16 THR CA C 16 60.600 60.600 61.203 -0.603 18531
14424 1 56 . 1 1 16 16 THR CB C 16 69.500 69.500 68.944 0.556 18531
14425 1 56 . 1 1 16 16 THR H H 16 8.820 8.820 8.926 -0.106 18531
14426 1 56 . 1 1 17 17 THR N N 17 111.800 111.800 119.136 -7.336 18531
14427 1 56 . 1 1 17 17 THR HA H 17 5.790 5.790 5.331 0.459 18531
14428 1 56 . 1 1 17 17 THR CA C 17 59.800 59.800 60.281 -0.481 18531
14429 1 56 . 1 1 17 17 THR CB C 17 73.100 73.100 70.754 2.346 18531
14430 1 56 . 1 1 17 17 THR H H 17 8.140 8.140 8.521 -0.381 18531
14431 1 56 . 1 1 18 18 THR N N 18 115.100 115.100 117.118 -2.018 18531
14432 1 56 . 1 1 18 18 THR HA H 18 4.640 4.640 4.715 -0.075 18531
14433 1 56 . 1 1 18 18 THR CA C 18 61.900 61.900 61.112 0.788 18531
14434 1 56 . 1 1 18 18 THR CB C 18 70.000 70.000 69.925 0.075 18531
14435 1 56 . 1 1 18 18 THR H H 18 8.930 8.930 9.350 -0.420 18531
14436 1 56 . 1 1 19 19 LYS N N 19 124.300 124.300 119.548 4.752 18531
14437 1 56 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.958 0.372 18531
14438 1 56 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.507 -0.507 18531
14439 1 56 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.382 -0.582 18531
14440 1 56 . 1 1 19 19 LYS H H 19 7.950 7.950 8.285 -0.335 18531
14441 1 56 . 1 1 20 20 ALA N N 20 124.600 124.600 124.804 -0.204 18531
14442 1 56 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.477 0.303 18531
14443 1 56 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.507 -0.607 18531
14444 1 56 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.097 2.703 18531
14445 1 56 . 1 1 20 20 ALA H H 20 9.110 9.110 8.074 1.036 18531
14446 1 56 . 1 1 21 21 VAL N N 21 115.300 115.300 118.935 -3.635 18531
14447 1 56 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.892 0.218 18531
14448 1 56 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.731 -1.431 18531
14449 1 56 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.148 0.052 18531
14450 1 56 . 1 1 21 21 VAL H H 21 8.480 8.480 8.524 -0.044 18531
14451 1 56 . 1 1 22 22 ASP N N 22 115.200 115.200 113.479 1.721 18531
14452 1 56 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.898 -0.188 18531
14453 1 56 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.144 0.256 18531
14454 1 56 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.544 0.656 18531
14455 1 56 . 1 1 22 22 ASP H H 22 7.310 7.310 7.606 -0.296 18531
14456 1 56 . 1 1 23 23 ALA N N 23 121.000 121.000 122.573 -1.573 18531
14457 1 56 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.592 -0.252 18531
14458 1 56 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.305 -0.405 18531
14459 1 56 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.522 -1.022 18531
14460 1 56 . 1 1 23 23 ALA H H 23 8.370 8.370 8.827 -0.457 18531
14461 1 56 . 1 1 24 24 GLU N N 24 118.900 118.900 119.043 -0.143 18531
14462 1 56 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.879 -0.019 18531
14463 1 56 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.467 0.233 18531
14464 1 56 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.846 0.254 18531
14465 1 56 . 1 1 24 24 GLU H H 24 8.410 8.410 8.489 -0.079 18531
14466 1 56 . 1 1 25 25 THR N N 25 117.400 117.400 113.226 4.174 18531
14467 1 56 . 1 1 25 25 THR HA H 25 3.670 3.670 4.170 -0.499 18531
14468 1 56 . 1 1 25 25 THR CA C 25 66.800 66.800 63.665 3.135 18531
14469 1 56 . 1 1 25 25 THR CB C 25 68.000 68.000 68.709 -0.709 18531
14470 1 56 . 1 1 25 25 THR H H 25 8.380 8.380 7.726 0.654 18531
14471 1 56 . 1 1 26 26 ALA N N 26 125.100 125.100 124.350 0.750 18531
14472 1 56 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.472 -0.282 18531
14473 1 56 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.890 0.110 18531
14474 1 56 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.266 0.034 18531
14475 1 56 . 1 1 26 26 ALA H H 26 7.220 7.220 8.129 -0.909 18531
14476 1 56 . 1 1 27 27 GLU N N 27 117.400 117.400 118.279 -0.879 18531
14477 1 56 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.882 -1.292 18531
14478 1 56 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.866 -0.166 18531
14479 1 56 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.405 -0.205 18531
14480 1 56 . 1 1 27 27 GLU H H 27 8.370 8.370 8.203 0.167 18531
14481 1 56 . 1 1 28 28 LYS N N 28 116.300 116.300 119.284 -2.984 18531
14482 1 56 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.800 -0.130 18531
14483 1 56 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.471 0.129 18531
14484 1 56 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.043 0.157 18531
14485 1 56 . 1 1 28 28 LYS H H 28 7.170 7.170 7.569 -0.399 18531
14486 1 56 . 1 1 29 29 ALA N N 29 122.000 122.000 121.230 0.770 18531
14487 1 56 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.932 0.158 18531
14488 1 56 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.836 -0.136 18531
14489 1 56 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.157 -0.657 18531
14490 1 56 . 1 1 29 29 ALA H H 29 7.200 7.200 7.394 -0.194 18531
14491 1 56 . 1 1 30 30 PHE N N 30 119.600 119.600 117.095 2.505 18531
14492 1 56 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.424 0.356 18531
14493 1 56 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.376 -2.776 18531
14494 1 56 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.653 -1.253 18531
14495 1 56 . 1 1 30 30 PHE H H 30 8.610 8.610 7.267 1.343 18531
14496 1 56 . 1 1 31 31 LYS N N 31 122.800 122.800 120.205 2.595 18531
14497 1 56 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.093 -0.003 18531
14498 1 56 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.544 -0.844 18531
14499 1 56 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.599 0.001 18531
14500 1 56 . 1 1 31 31 LYS H H 31 9.030 9.030 8.701 0.329 18531
14501 1 56 . 1 1 32 32 GLN N N 32 119.600 119.600 117.077 2.523 18531
14502 1 56 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.094 -0.064 18531
14503 1 56 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.684 0.016 18531
14504 1 56 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.767 -0.667 18531
14505 1 56 . 1 1 32 32 GLN H H 32 7.510 7.510 8.077 -0.567 18531
14506 1 56 . 1 1 33 33 TYR N N 33 120.400 120.400 120.656 -0.256 18531
14507 1 56 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.329 -0.079 18531
14508 1 56 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.270 0.530 18531
14509 1 56 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.942 -0.242 18531
14510 1 56 . 1 1 33 33 TYR H H 33 8.080 8.080 7.939 0.141 18531
14511 1 56 . 1 1 34 34 ALA N N 34 122.300 122.300 121.304 0.996 18531
14512 1 56 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.964 -0.184 18531
14513 1 56 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.303 0.797 18531
14514 1 56 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.507 -0.807 18531
14515 1 56 . 1 1 34 34 ALA H H 34 9.210 9.210 8.771 0.439 18531
14516 1 56 . 1 1 35 35 ASN N N 35 117.700 117.700 116.395 1.305 18531
14517 1 56 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.543 -0.083 18531
14518 1 56 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.263 1.737 18531
14519 1 56 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.301 0.699 18531
14520 1 56 . 1 1 35 35 ASN H H 35 8.390 8.390 8.633 -0.243 18531
14521 1 56 . 1 1 36 36 ASP N N 36 121.100 121.100 118.536 2.564 18531
14522 1 56 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.573 -0.213 18531
14523 1 56 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.056 0.644 18531
14524 1 56 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.794 -0.794 18531
14525 1 56 . 1 1 36 36 ASP H H 36 8.830 8.830 7.758 1.073 18531
14526 1 56 . 1 1 37 37 ASN N N 37 115.200 115.200 116.660 -1.460 18531
14527 1 56 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.853 -0.243 18531
14528 1 56 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.522 1.179 18531
14529 1 56 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.588 1.412 18531
14530 1 56 . 1 1 37 37 ASN H H 37 7.390 7.390 7.520 -0.130 18531
14531 1 56 . 1 1 38 38 GLY N N 38 108.200 108.200 108.217 -0.017 18531
14532 1 56 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.099 0.301 18531
14533 1 56 . 1 1 38 38 GLY H H 38 7.800 7.800 7.682 0.118 18531
14534 1 56 . 1 1 39 39 VAL N N 39 120.800 120.800 120.072 0.728 18531
14535 1 56 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.195 -0.055 18531
14536 1 56 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.642 0.058 18531
14537 1 56 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.454 0.846 18531
14538 1 56 . 1 1 39 39 VAL H H 39 8.120 8.120 8.053 0.067 18531
14539 1 56 . 1 1 40 40 ASP N N 40 128.000 128.000 126.261 1.739 18531
14540 1 56 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.863 0.027 18531
14541 1 56 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.267 -0.467 18531
14542 1 56 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.322 -1.222 18531
14543 1 56 . 1 1 40 40 ASP H H 40 8.770 8.770 8.402 0.368 18531
14544 1 56 . 1 1 41 41 GLY N N 41 107.100 107.100 109.838 -2.738 18531
14545 1 56 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.201 0.199 18531
14546 1 56 . 1 1 41 41 GLY H H 41 7.910 7.910 8.180 -0.270 18531
14547 1 56 . 1 1 42 42 VAL N N 42 120.300 120.300 121.943 -1.643 18531
14548 1 56 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.308 0.072 18531
14549 1 56 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.828 0.272 18531
14550 1 56 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.258 0.142 18531
14551 1 56 . 1 1 42 42 VAL H H 42 8.250 8.250 8.497 -0.247 18531
14552 1 56 . 1 1 43 43 TRP N N 43 130.700 130.700 124.591 6.109 18531
14553 1 56 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.263 0.097 18531
14554 1 56 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.843 1.757 18531
14555 1 56 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.226 -0.026 18531
14556 1 56 . 1 1 43 43 TRP H H 43 9.360 9.360 8.500 0.860 18531
14557 1 56 . 1 1 44 44 THR N N 44 114.500 114.500 119.291 -4.791 18531
14558 1 56 . 1 1 44 44 THR HA H 44 4.830 4.830 4.752 0.078 18531
14559 1 56 . 1 1 44 44 THR CA C 44 60.300 60.300 61.224 -0.924 18531
14560 1 56 . 1 1 44 44 THR CB C 44 72.100 72.100 69.215 2.885 18531
14561 1 56 . 1 1 44 44 THR H H 44 9.400 9.400 8.432 0.968 18531
14562 1 56 . 1 1 45 45 TYR N N 45 120.100 120.100 127.002 -6.902 18531
14563 1 56 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.295 -0.325 18531
14564 1 56 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.834 2.166 18531
14565 1 56 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.684 0.915 18531
14566 1 56 . 1 1 45 45 TYR H H 45 8.580 8.580 8.368 0.212 18531
14567 1 56 . 1 1 46 46 ASP N N 46 128.300 128.300 122.944 5.356 18531
14568 1 56 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.455 0.125 18531
14569 1 56 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.788 0.112 18531
14570 1 56 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.929 -0.829 18531
14571 1 56 . 1 1 46 46 ASP H H 46 7.580 7.580 8.513 -0.933 18531
14572 1 56 . 1 1 47 47 ASP N N 47 124.800 124.800 124.762 0.038 18531
14573 1 56 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.795 -0.685 18531
14574 1 56 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.222 1.278 18531
14575 1 56 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.276 1.824 18531
14576 1 56 . 1 1 47 47 ASP H H 47 8.590 8.590 8.645 -0.055 18531
14577 1 56 . 1 1 48 48 ALA N N 48 119.700 119.700 122.079 -2.379 18531
14578 1 56 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.406 -0.316 18531
14579 1 56 . 1 1 48 48 ALA CA C 48 55.000 55.000 52.910 2.090 18531
14580 1 56 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.562 -1.262 18531
14581 1 56 . 1 1 48 48 ALA H H 48 8.340 8.340 8.055 0.285 18531
14582 1 56 . 1 1 49 49 THR N N 49 103.200 103.200 113.297 -10.097 18531
14583 1 56 . 1 1 49 49 THR HA H 49 4.390 4.390 4.451 -0.061 18531
14584 1 56 . 1 1 49 49 THR CA C 49 60.200 60.200 60.521 -0.321 18531
14585 1 56 . 1 1 49 49 THR CB C 49 70.000 70.000 68.386 1.614 18531
14586 1 56 . 1 1 49 49 THR H H 49 7.000 7.000 8.270 -1.270 18531
14587 1 56 . 1 1 50 50 LYS N N 50 123.100 123.100 117.845 5.255 18531
14588 1 56 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.185 0.005 18531
14589 1 56 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.712 -1.112 18531
14590 1 56 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.861 -1.261 18531
14591 1 56 . 1 1 50 50 LYS H H 50 7.860 7.860 8.106 -0.246 18531
14592 1 56 . 1 1 51 51 THR N N 51 111.200 111.200 114.978 -3.778 18531
14593 1 56 . 1 1 51 51 THR HA H 51 5.490 5.490 4.719 0.771 18531
14594 1 56 . 1 1 51 51 THR CA C 51 62.300 62.300 62.737 -0.438 18531
14595 1 56 . 1 1 51 51 THR CB C 51 72.100 72.100 70.986 1.114 18531
14596 1 56 . 1 1 51 51 THR H H 51 7.390 7.390 7.646 -0.256 18531
14597 1 56 . 1 1 52 52 PHE N N 52 131.000 131.000 127.818 3.182 18531
14598 1 56 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.257 0.373 18531
14599 1 56 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.551 0.749 18531
14600 1 56 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.858 0.742 18531
14601 1 56 . 1 1 52 52 PHE H H 52 10.390 10.390 8.877 1.513 18531
14602 1 56 . 1 1 53 53 THR N N 53 117.400 117.400 121.412 -4.012 18531
14603 1 56 . 1 1 53 53 THR HA H 53 5.270 5.270 5.097 0.173 18531
14604 1 56 . 1 1 53 53 THR CA C 53 61.200 61.200 61.504 -0.304 18531
14605 1 56 . 1 1 53 53 THR CB C 53 71.000 71.000 70.144 0.856 18531
14606 1 56 . 1 1 53 53 THR H H 53 9.180 9.180 9.259 -0.079 18531
14607 1 56 . 1 1 54 54 VAL N N 54 123.000 123.000 128.088 -5.088 18531
14608 1 56 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.398 0.062 18531
14609 1 56 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.963 -2.863 18531
14610 1 56 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.790 -0.490 18531
14611 1 56 . 1 1 54 54 VAL H H 54 8.280 8.280 9.030 -0.750 18531
14612 1 56 . 1 1 55 55 THR N N 55 123.900 123.900 123.712 0.188 18531
14613 1 56 . 1 1 55 55 THR HA H 55 4.700 4.700 4.500 0.200 18531
14614 1 56 . 1 1 55 55 THR CA C 55 61.200 61.200 61.739 -0.539 18531
14615 1 56 . 1 1 55 55 THR CB C 55 70.700 70.700 69.986 0.714 18531
14616 1 56 . 1 1 55 55 THR H H 55 8.320 8.320 8.122 0.198 18531
14617 1 57 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.018 0.032 18531
14618 1 57 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.797 0.803 18531
14619 1 57 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.528 -0.828 18531
14620 1 57 . 1 1 2 2 GLN H H 2 8.410 8.410 8.064 0.346 18531
14621 1 57 . 1 1 3 3 TYR N N 3 124.000 124.000 123.581 0.419 18531
14622 1 57 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.103 0.257 18531
14623 1 57 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.734 0.366 18531
14624 1 57 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.483 3.117 18531
14625 1 57 . 1 1 3 3 TYR H H 3 9.070 9.070 8.240 0.830 18531
14626 1 57 . 1 1 4 4 LYS N N 4 122.500 122.500 122.266 0.234 18531
14627 1 57 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.576 0.644 18531
14628 1 57 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.792 0.208 18531
14629 1 57 . 1 1 4 4 LYS CB C 4 36.000 36.000 34.228 1.772 18531
14630 1 57 . 1 1 4 4 LYS H H 4 9.100 9.100 8.453 0.647 18531
14631 1 57 . 1 1 5 5 LEU N N 5 126.400 126.400 129.005 -2.605 18531
14632 1 57 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.931 0.039 18531
14633 1 57 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.789 -0.989 18531
14634 1 57 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.926 -1.326 18531
14635 1 57 . 1 1 5 5 LEU H H 5 8.620 8.620 7.809 0.811 18531
14636 1 57 . 1 1 6 6 VAL N N 6 127.000 127.000 128.440 -1.440 18531
14637 1 57 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.782 -0.622 18531
14638 1 57 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.882 1.418 18531
14639 1 57 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.984 -1.284 18531
14640 1 57 . 1 1 6 6 VAL H H 6 9.190 9.190 8.430 0.760 18531
14641 1 57 . 1 1 7 7 ILE N N 7 125.400 125.400 126.433 -1.033 18531
14642 1 57 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.278 -0.188 18531
14643 1 57 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.709 -0.009 18531
14644 1 57 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.021 -0.021 18531
14645 1 57 . 1 1 7 7 ILE H H 7 8.800 8.800 8.211 0.589 18531
14646 1 57 . 1 1 8 8 ASN N N 8 128.900 128.900 126.722 2.178 18531
14647 1 57 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.978 0.302 18531
14648 1 57 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.608 -1.808 18531
14649 1 57 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.681 -0.581 18531
14650 1 57 . 1 1 8 8 ASN H H 8 8.990 8.990 8.277 0.713 18531
14651 1 57 . 1 1 9 9 GLY N N 9 110.200 110.200 107.346 2.854 18531
14652 1 57 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.251 0.449 18531
14653 1 57 . 1 1 9 9 GLY H H 9 7.920 7.920 8.023 -0.103 18531
14654 1 57 . 1 1 10 10 LYS N N 10 120.700 120.700 120.993 -0.293 18531
14655 1 57 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.234 -0.174 18531
14656 1 57 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.129 1.071 18531
14657 1 57 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.097 -0.197 18531
14658 1 57 . 1 1 10 10 LYS H H 10 9.520 9.520 8.783 0.737 18531
14659 1 57 . 1 1 11 11 THR N N 11 108.900 108.900 111.690 -2.790 18531
14660 1 57 . 1 1 11 11 THR HA H 11 4.360 4.360 4.364 -0.004 18531
14661 1 57 . 1 1 11 11 THR CA C 11 62.000 62.000 62.286 -0.286 18531
14662 1 57 . 1 1 11 11 THR CB C 11 69.800 69.800 69.561 0.239 18531
14663 1 57 . 1 1 11 11 THR H H 11 8.790 8.790 8.226 0.564 18531
14664 1 57 . 1 1 12 12 LEU N N 12 125.700 125.700 123.257 2.443 18531
14665 1 57 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.465 -0.025 18531
14666 1 57 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.470 -0.470 18531
14667 1 57 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.813 -1.513 18531
14668 1 57 . 1 1 12 12 LEU H H 12 7.580 7.580 7.550 0.030 18531
14669 1 57 . 1 1 13 13 LYS N N 13 123.500 123.500 122.823 0.677 18531
14670 1 57 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.305 -0.185 18531
14671 1 57 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.044 -1.144 18531
14672 1 57 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.731 -0.931 18531
14673 1 57 . 1 1 13 13 LYS H H 13 8.140 8.140 8.338 -0.198 18531
14674 1 57 . 1 1 14 14 GLY N N 14 109.100 109.100 110.727 -1.627 18531
14675 1 57 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.788 -0.588 18531
14676 1 57 . 1 1 14 14 GLY H H 14 8.340 8.340 8.286 0.054 18531
14677 1 57 . 1 1 15 15 GLU N N 15 118.200 118.200 120.646 -2.446 18531
14678 1 57 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.424 0.176 18531
14679 1 57 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.216 -0.716 18531
14680 1 57 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.789 0.011 18531
14681 1 57 . 1 1 15 15 GLU H H 15 8.390 8.390 8.443 -0.053 18531
14682 1 57 . 1 1 16 16 THR N N 16 115.600 115.600 120.677 -5.077 18531
14683 1 57 . 1 1 16 16 THR HA H 16 4.730 4.730 4.680 0.050 18531
14684 1 57 . 1 1 16 16 THR CA C 16 60.600 60.600 61.449 -0.849 18531
14685 1 57 . 1 1 16 16 THR CB C 16 69.500 69.500 69.160 0.340 18531
14686 1 57 . 1 1 16 16 THR H H 16 8.820 8.820 8.974 -0.154 18531
14687 1 57 . 1 1 17 17 THR N N 17 111.800 111.800 117.168 -5.368 18531
14688 1 57 . 1 1 17 17 THR HA H 17 5.790 5.790 5.340 0.450 18531
14689 1 57 . 1 1 17 17 THR CA C 17 59.800 59.800 60.876 -1.076 18531
14690 1 57 . 1 1 17 17 THR CB C 17 73.100 73.100 71.025 2.075 18531
14691 1 57 . 1 1 17 17 THR H H 17 8.140 8.140 8.305 -0.165 18531
14692 1 57 . 1 1 18 18 THR N N 18 115.100 115.100 116.304 -1.204 18531
14693 1 57 . 1 1 18 18 THR HA H 18 4.640 4.640 4.604 0.036 18531
14694 1 57 . 1 1 18 18 THR CA C 18 61.900 61.900 61.036 0.864 18531
14695 1 57 . 1 1 18 18 THR CB C 18 70.000 70.000 69.954 0.046 18531
14696 1 57 . 1 1 18 18 THR H H 18 8.930 8.930 8.371 0.559 18531
14697 1 57 . 1 1 19 19 LYS N N 19 124.300 124.300 119.941 4.359 18531
14698 1 57 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.418 -0.088 18531
14699 1 57 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.628 0.372 18531
14700 1 57 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.691 -1.891 18531
14701 1 57 . 1 1 19 19 LYS H H 19 7.950 7.950 8.213 -0.263 18531
14702 1 57 . 1 1 20 20 ALA N N 20 124.600 124.600 123.731 0.869 18531
14703 1 57 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.652 0.128 18531
14704 1 57 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.907 -1.007 18531
14705 1 57 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.461 2.339 18531
14706 1 57 . 1 1 20 20 ALA H H 20 9.110 9.110 7.944 1.166 18531
14707 1 57 . 1 1 21 21 VAL N N 21 115.300 115.300 116.691 -1.391 18531
14708 1 57 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.098 0.012 18531
14709 1 57 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.661 -1.361 18531
14710 1 57 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.965 0.235 18531
14711 1 57 . 1 1 21 21 VAL H H 21 8.480 8.480 8.438 0.042 18531
14712 1 57 . 1 1 22 22 ASP N N 22 115.200 115.200 114.678 0.522 18531
14713 1 57 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.954 -0.244 18531
14714 1 57 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.695 -0.295 18531
14715 1 57 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.143 0.057 18531
14716 1 57 . 1 1 22 22 ASP H H 22 7.310 7.310 7.701 -0.391 18531
14717 1 57 . 1 1 23 23 ALA N N 23 121.000 121.000 122.414 -1.414 18531
14718 1 57 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.557 -0.217 18531
14719 1 57 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.896 0.004 18531
14720 1 57 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.330 -0.830 18531
14721 1 57 . 1 1 23 23 ALA H H 23 8.370 8.370 8.759 -0.389 18531
14722 1 57 . 1 1 24 24 GLU N N 24 118.900 118.900 119.245 -0.345 18531
14723 1 57 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.903 -0.043 18531
14724 1 57 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.478 0.222 18531
14725 1 57 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.053 0.047 18531
14726 1 57 . 1 1 24 24 GLU H H 24 8.410 8.410 8.531 -0.121 18531
14727 1 57 . 1 1 25 25 THR N N 25 117.400 117.400 113.443 3.957 18531
14728 1 57 . 1 1 25 25 THR HA H 25 3.670 3.670 4.177 -0.507 18531
14729 1 57 . 1 1 25 25 THR CA C 25 66.800 66.800 64.123 2.677 18531
14730 1 57 . 1 1 25 25 THR CB C 25 68.000 68.000 68.911 -0.911 18531
14731 1 57 . 1 1 25 25 THR H H 25 8.380 8.380 7.680 0.700 18531
14732 1 57 . 1 1 26 26 ALA N N 26 125.100 125.100 124.699 0.401 18531
14733 1 57 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.760 -0.570 18531
14734 1 57 . 1 1 26 26 ALA CA C 26 55.000 55.000 55.157 -0.158 18531
14735 1 57 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.972 -0.672 18531
14736 1 57 . 1 1 26 26 ALA H H 26 7.220 7.220 8.165 -0.945 18531
14737 1 57 . 1 1 27 27 GLU N N 27 117.400 117.400 118.183 -0.783 18531
14738 1 57 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.949 -1.359 18531
14739 1 57 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.652 0.048 18531
14740 1 57 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.359 -0.159 18531
14741 1 57 . 1 1 27 27 GLU H H 27 8.370 8.370 8.223 0.147 18531
14742 1 57 . 1 1 28 28 LYS N N 28 116.300 116.300 118.263 -1.963 18531
14743 1 57 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.921 -0.251 18531
14744 1 57 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.755 0.845 18531
14745 1 57 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.240 -0.040 18531
14746 1 57 . 1 1 28 28 LYS H H 28 7.170 7.170 7.708 -0.538 18531
14747 1 57 . 1 1 29 29 ALA N N 29 122.000 122.000 122.216 -0.216 18531
14748 1 57 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.934 0.156 18531
14749 1 57 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.351 0.349 18531
14750 1 57 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.051 -0.551 18531
14751 1 57 . 1 1 29 29 ALA H H 29 7.200 7.200 7.332 -0.132 18531
14752 1 57 . 1 1 30 30 PHE N N 30 119.600 119.600 116.166 3.434 18531
14753 1 57 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.384 0.396 18531
14754 1 57 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.746 -4.146 18531
14755 1 57 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.668 -1.268 18531
14756 1 57 . 1 1 30 30 PHE H H 30 8.610 8.610 7.348 1.262 18531
14757 1 57 . 1 1 31 31 LYS N N 31 122.800 122.800 118.989 3.811 18531
14758 1 57 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.282 -0.192 18531
14759 1 57 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.327 0.373 18531
14760 1 57 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.014 -0.414 18531
14761 1 57 . 1 1 31 31 LYS H H 31 9.030 9.030 7.823 1.207 18531
14762 1 57 . 1 1 32 32 GLN N N 32 119.600 119.600 116.952 2.648 18531
14763 1 57 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.197 -0.167 18531
14764 1 57 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.811 0.889 18531
14765 1 57 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.903 -0.803 18531
14766 1 57 . 1 1 32 32 GLN H H 32 7.510 7.510 7.554 -0.044 18531
14767 1 57 . 1 1 33 33 TYR N N 33 120.400 120.400 120.384 0.016 18531
14768 1 57 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.388 -0.138 18531
14769 1 57 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.711 1.089 18531
14770 1 57 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.644 -0.944 18531
14771 1 57 . 1 1 33 33 TYR H H 33 8.080 8.080 7.994 0.086 18531
14772 1 57 . 1 1 34 34 ALA N N 34 122.300 122.300 120.645 1.655 18531
14773 1 57 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.871 -0.091 18531
14774 1 57 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.703 0.397 18531
14775 1 57 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.300 -0.600 18531
14776 1 57 . 1 1 34 34 ALA H H 34 9.210 9.210 8.123 1.087 18531
14777 1 57 . 1 1 35 35 ASN N N 35 117.700 117.700 115.597 2.103 18531
14778 1 57 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.511 -0.051 18531
14779 1 57 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.543 1.457 18531
14780 1 57 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.365 0.635 18531
14781 1 57 . 1 1 35 35 ASN H H 35 8.390 8.390 8.164 0.226 18531
14782 1 57 . 1 1 36 36 ASP N N 36 121.100 121.100 118.942 2.158 18531
14783 1 57 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.658 -0.298 18531
14784 1 57 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.962 1.738 18531
14785 1 57 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.325 -1.325 18531
14786 1 57 . 1 1 36 36 ASP H H 36 8.830 8.830 8.021 0.809 18531
14787 1 57 . 1 1 37 37 ASN N N 37 115.200 115.200 117.012 -1.812 18531
14788 1 57 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.792 -0.182 18531
14789 1 57 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.525 1.175 18531
14790 1 57 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.654 1.346 18531
14791 1 57 . 1 1 37 37 ASN H H 37 7.390 7.390 7.635 -0.245 18531
14792 1 57 . 1 1 38 38 GLY N N 38 108.200 108.200 108.734 -0.534 18531
14793 1 57 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.233 0.167 18531
14794 1 57 . 1 1 38 38 GLY H H 38 7.800 7.800 7.749 0.051 18531
14795 1 57 . 1 1 39 39 VAL N N 39 120.800 120.800 119.301 1.499 18531
14796 1 57 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.256 -0.116 18531
14797 1 57 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.544 1.156 18531
14798 1 57 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.573 -0.273 18531
14799 1 57 . 1 1 39 39 VAL H H 39 8.120 8.120 7.807 0.313 18531
14800 1 57 . 1 1 40 40 ASP N N 40 128.000 128.000 125.951 2.049 18531
14801 1 57 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.840 0.050 18531
14802 1 57 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.705 -0.905 18531
14803 1 57 . 1 1 40 40 ASP CB C 40 43.100 43.100 42.754 0.346 18531
14804 1 57 . 1 1 40 40 ASP H H 40 8.770 8.770 8.128 0.642 18531
14805 1 57 . 1 1 41 41 GLY N N 41 107.100 107.100 109.080 -1.980 18531
14806 1 57 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.804 0.596 18531
14807 1 57 . 1 1 41 41 GLY H H 41 7.910 7.910 7.866 0.044 18531
14808 1 57 . 1 1 42 42 VAL N N 42 120.300 120.300 119.181 1.119 18531
14809 1 57 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.174 0.206 18531
14810 1 57 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.839 0.261 18531
14811 1 57 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.629 -0.229 18531
14812 1 57 . 1 1 42 42 VAL H H 42 8.250 8.250 7.839 0.411 18531
14813 1 57 . 1 1 43 43 TRP N N 43 130.700 130.700 123.581 7.119 18531
14814 1 57 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.955 0.405 18531
14815 1 57 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.975 1.625 18531
14816 1 57 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.002 0.198 18531
14817 1 57 . 1 1 43 43 TRP H H 43 9.360 9.360 8.634 0.726 18531
14818 1 57 . 1 1 44 44 THR N N 44 114.500 114.500 118.587 -4.087 18531
14819 1 57 . 1 1 44 44 THR HA H 44 4.830 4.830 4.733 0.097 18531
14820 1 57 . 1 1 44 44 THR CA C 44 60.300 60.300 61.296 -0.996 18531
14821 1 57 . 1 1 44 44 THR CB C 44 72.100 72.100 69.051 3.049 18531
14822 1 57 . 1 1 44 44 THR H H 44 9.400 9.400 8.769 0.631 18531
14823 1 57 . 1 1 45 45 TYR N N 45 120.100 120.100 126.996 -6.896 18531
14824 1 57 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.186 -0.216 18531
14825 1 57 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.685 2.315 18531
14826 1 57 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.371 1.229 18531
14827 1 57 . 1 1 45 45 TYR H H 45 8.580 8.580 8.282 0.298 18531
14828 1 57 . 1 1 46 46 ASP N N 46 128.300 128.300 123.186 5.114 18531
14829 1 57 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.374 0.206 18531
14830 1 57 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.171 -0.271 18531
14831 1 57 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.962 -0.862 18531
14832 1 57 . 1 1 46 46 ASP H H 46 7.580 7.580 8.537 -0.957 18531
14833 1 57 . 1 1 47 47 ASP N N 47 124.800 124.800 125.351 -0.551 18531
14834 1 57 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.761 -0.651 18531
14835 1 57 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.053 1.447 18531
14836 1 57 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.022 1.078 18531
14837 1 57 . 1 1 47 47 ASP H H 47 8.590 8.590 8.402 0.188 18531
14838 1 57 . 1 1 48 48 ALA N N 48 119.700 119.700 122.085 -2.385 18531
14839 1 57 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.480 -0.390 18531
14840 1 57 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.858 1.142 18531
14841 1 57 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.137 -1.837 18531
14842 1 57 . 1 1 48 48 ALA H H 48 8.340 8.340 7.946 0.394 18531
14843 1 57 . 1 1 49 49 THR N N 49 103.200 103.200 113.993 -10.793 18531
14844 1 57 . 1 1 49 49 THR HA H 49 4.390 4.390 4.501 -0.111 18531
14845 1 57 . 1 1 49 49 THR CA C 49 60.200 60.200 60.928 -0.728 18531
14846 1 57 . 1 1 49 49 THR CB C 49 70.000 70.000 69.240 0.760 18531
14847 1 57 . 1 1 49 49 THR H H 49 7.000 7.000 7.967 -0.967 18531
14848 1 57 . 1 1 50 50 LYS N N 50 123.100 123.100 118.088 5.012 18531
14849 1 57 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.389 -0.199 18531
14850 1 57 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.499 -0.899 18531
14851 1 57 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.555 -0.955 18531
14852 1 57 . 1 1 50 50 LYS H H 50 7.860 7.860 8.193 -0.333 18531
14853 1 57 . 1 1 51 51 THR N N 51 111.200 111.200 115.188 -3.988 18531
14854 1 57 . 1 1 51 51 THR HA H 51 5.490 5.490 4.863 0.627 18531
14855 1 57 . 1 1 51 51 THR CA C 51 62.300 62.300 62.202 0.098 18531
14856 1 57 . 1 1 51 51 THR CB C 51 72.100 72.100 72.504 -0.404 18531
14857 1 57 . 1 1 51 51 THR H H 51 7.390 7.390 7.742 -0.352 18531
14858 1 57 . 1 1 52 52 PHE N N 52 131.000 131.000 125.125 5.875 18531
14859 1 57 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.120 0.510 18531
14860 1 57 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.457 0.843 18531
14861 1 57 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.921 0.679 18531
14862 1 57 . 1 1 52 52 PHE H H 52 10.390 10.390 9.445 0.945 18531
14863 1 57 . 1 1 53 53 THR N N 53 117.400 117.400 120.583 -3.183 18531
14864 1 57 . 1 1 53 53 THR HA H 53 5.270 5.270 4.688 0.582 18531
14865 1 57 . 1 1 53 53 THR CA C 53 61.200 61.200 61.880 -0.680 18531
14866 1 57 . 1 1 53 53 THR CB C 53 71.000 71.000 70.566 0.434 18531
14867 1 57 . 1 1 53 53 THR H H 53 9.180 9.180 9.221 -0.041 18531
14868 1 57 . 1 1 54 54 VAL N N 54 123.000 123.000 126.589 -3.589 18531
14869 1 57 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.569 -0.109 18531
14870 1 57 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.270 -1.170 18531
14871 1 57 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.930 -1.630 18531
14872 1 57 . 1 1 54 54 VAL H H 54 8.280 8.280 7.856 0.424 18531
14873 1 57 . 1 1 55 55 THR N N 55 123.900 123.900 124.766 -0.866 18531
14874 1 57 . 1 1 55 55 THR HA H 55 4.700 4.700 4.541 0.159 18531
14875 1 57 . 1 1 55 55 THR CA C 55 61.200 61.200 61.677 -0.477 18531
14876 1 57 . 1 1 55 55 THR CB C 55 70.700 70.700 69.860 0.840 18531
14877 1 57 . 1 1 55 55 THR H H 55 8.320 8.320 8.499 -0.179 18531
14878 1 58 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.792 0.258 18531
14879 1 58 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.654 -0.054 18531
14880 1 58 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.784 -1.084 18531
14881 1 58 . 1 1 2 2 GLN H H 2 8.410 8.410 7.908 0.502 18531
14882 1 58 . 1 1 3 3 TYR N N 3 124.000 124.000 123.145 0.855 18531
14883 1 58 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.939 0.421 18531
14884 1 58 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.668 0.432 18531
14885 1 58 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.308 1.292 18531
14886 1 58 . 1 1 3 3 TYR H H 3 9.070 9.070 8.755 0.315 18531
14887 1 58 . 1 1 4 4 LYS N N 4 122.500 122.500 122.075 0.425 18531
14888 1 58 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.659 0.561 18531
14889 1 58 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.002 -0.002 18531
14890 1 58 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.465 0.534 18531
14891 1 58 . 1 1 4 4 LYS H H 4 9.100 9.100 8.503 0.597 18531
14892 1 58 . 1 1 5 5 LEU N N 5 126.400 126.400 128.520 -2.120 18531
14893 1 58 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.012 -0.042 18531
14894 1 58 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.306 -0.506 18531
14895 1 58 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.399 -0.799 18531
14896 1 58 . 1 1 5 5 LEU H H 5 8.620 8.620 8.508 0.112 18531
14897 1 58 . 1 1 6 6 VAL N N 6 127.000 127.000 128.729 -1.729 18531
14898 1 58 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.268 -0.108 18531
14899 1 58 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.006 0.294 18531
14900 1 58 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.196 -0.496 18531
14901 1 58 . 1 1 6 6 VAL H H 6 9.190 9.190 9.031 0.159 18531
14902 1 58 . 1 1 7 7 ILE N N 7 125.400 125.400 127.383 -1.983 18531
14903 1 58 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.436 -0.346 18531
14904 1 58 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.376 0.324 18531
14905 1 58 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.841 -0.841 18531
14906 1 58 . 1 1 7 7 ILE H H 7 8.800 8.800 7.780 1.020 18531
14907 1 58 . 1 1 8 8 ASN N N 8 128.900 128.900 124.826 4.074 18531
14908 1 58 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.024 0.256 18531
14909 1 58 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.493 -1.693 18531
14910 1 58 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.538 -1.438 18531
14911 1 58 . 1 1 8 8 ASN H H 8 8.990 8.990 8.877 0.113 18531
14912 1 58 . 1 1 9 9 GLY N N 9 110.200 110.200 108.146 2.054 18531
14913 1 58 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.241 0.459 18531
14914 1 58 . 1 1 9 9 GLY H H 9 7.920 7.920 7.690 0.230 18531
14915 1 58 . 1 1 10 10 LYS N N 10 120.700 120.700 120.576 0.124 18531
14916 1 58 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.222 -0.162 18531
14917 1 58 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.362 0.838 18531
14918 1 58 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.812 0.088 18531
14919 1 58 . 1 1 10 10 LYS H H 10 9.520 9.520 8.560 0.960 18531
14920 1 58 . 1 1 11 11 THR N N 11 108.900 108.900 109.951 -1.051 18531
14921 1 58 . 1 1 11 11 THR HA H 11 4.360 4.360 4.318 0.042 18531
14922 1 58 . 1 1 11 11 THR CA C 11 62.000 62.000 62.249 -0.249 18531
14923 1 58 . 1 1 11 11 THR CB C 11 69.800 69.800 69.702 0.098 18531
14924 1 58 . 1 1 11 11 THR H H 11 8.790 8.790 7.914 0.876 18531
14925 1 58 . 1 1 12 12 LEU N N 12 125.700 125.700 124.374 1.326 18531
14926 1 58 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.427 0.013 18531
14927 1 58 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.773 0.227 18531
14928 1 58 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.578 0.722 18531
14929 1 58 . 1 1 12 12 LEU H H 12 7.580 7.580 8.053 -0.473 18531
14930 1 58 . 1 1 13 13 LYS N N 13 123.500 123.500 123.609 -0.109 18531
14931 1 58 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.537 0.583 18531
14932 1 58 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.533 -1.633 18531
14933 1 58 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.620 -0.820 18531
14934 1 58 . 1 1 13 13 LYS H H 13 8.140 8.140 8.468 -0.328 18531
14935 1 58 . 1 1 14 14 GLY N N 14 109.100 109.100 109.729 -0.629 18531
14936 1 58 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.657 -0.457 18531
14937 1 58 . 1 1 14 14 GLY H H 14 8.340 8.340 8.514 -0.174 18531
14938 1 58 . 1 1 15 15 GLU N N 15 118.200 118.200 120.259 -2.059 18531
14939 1 58 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.185 0.415 18531
14940 1 58 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.492 -0.992 18531
14941 1 58 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.176 0.624 18531
14942 1 58 . 1 1 15 15 GLU H H 15 8.390 8.390 8.405 -0.015 18531
14943 1 58 . 1 1 16 16 THR N N 16 115.600 115.600 119.143 -3.543 18531
14944 1 58 . 1 1 16 16 THR HA H 16 4.730 4.730 4.686 0.044 18531
14945 1 58 . 1 1 16 16 THR CA C 16 60.600 60.600 61.106 -0.506 18531
14946 1 58 . 1 1 16 16 THR CB C 16 69.500 69.500 69.418 0.082 18531
14947 1 58 . 1 1 16 16 THR H H 16 8.820 8.820 8.818 0.002 18531
14948 1 58 . 1 1 17 17 THR N N 17 111.800 111.800 118.501 -6.701 18531
14949 1 58 . 1 1 17 17 THR HA H 17 5.790 5.790 5.050 0.740 18531
14950 1 58 . 1 1 17 17 THR CA C 17 59.800 59.800 60.674 -0.874 18531
14951 1 58 . 1 1 17 17 THR CB C 17 73.100 73.100 70.452 2.648 18531
14952 1 58 . 1 1 17 17 THR H H 17 8.140 8.140 8.616 -0.476 18531
14953 1 58 . 1 1 18 18 THR N N 18 115.100 115.100 117.854 -2.754 18531
14954 1 58 . 1 1 18 18 THR HA H 18 4.640 4.640 4.687 -0.047 18531
14955 1 58 . 1 1 18 18 THR CA C 18 61.900 61.900 61.218 0.682 18531
14956 1 58 . 1 1 18 18 THR CB C 18 70.000 70.000 70.701 -0.701 18531
14957 1 58 . 1 1 18 18 THR H H 18 8.930 8.930 8.941 -0.011 18531
14958 1 58 . 1 1 19 19 LYS N N 19 124.300 124.300 119.615 4.685 18531
14959 1 58 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.997 0.333 18531
14960 1 58 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.940 0.060 18531
14961 1 58 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.845 -1.045 18531
14962 1 58 . 1 1 19 19 LYS H H 19 7.950 7.950 8.272 -0.322 18531
14963 1 58 . 1 1 20 20 ALA N N 20 124.600 124.600 124.034 0.566 18531
14964 1 58 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.648 0.132 18531
14965 1 58 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.802 -0.902 18531
14966 1 58 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.742 2.058 18531
14967 1 58 . 1 1 20 20 ALA H H 20 9.110 9.110 7.917 1.193 18531
14968 1 58 . 1 1 21 21 VAL N N 21 115.300 115.300 117.849 -2.549 18531
14969 1 58 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.956 0.154 18531
14970 1 58 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.037 -1.737 18531
14971 1 58 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.607 0.593 18531
14972 1 58 . 1 1 21 21 VAL H H 21 8.480 8.480 8.458 0.022 18531
14973 1 58 . 1 1 22 22 ASP N N 22 115.200 115.200 113.089 2.111 18531
14974 1 58 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.936 -0.226 18531
14975 1 58 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.295 0.104 18531
14976 1 58 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.593 -0.393 18531
14977 1 58 . 1 1 22 22 ASP H H 22 7.310 7.310 7.584 -0.274 18531
14978 1 58 . 1 1 23 23 ALA N N 23 121.000 121.000 122.613 -1.613 18531
14979 1 58 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.168 0.172 18531
14980 1 58 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.272 -0.372 18531
14981 1 58 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.427 -0.927 18531
14982 1 58 . 1 1 23 23 ALA H H 23 8.370 8.370 8.687 -0.317 18531
14983 1 58 . 1 1 24 24 GLU N N 24 118.900 118.900 118.258 0.642 18531
14984 1 58 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.886 -0.026 18531
14985 1 58 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.256 0.444 18531
14986 1 58 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.922 0.178 18531
14987 1 58 . 1 1 24 24 GLU H H 24 8.410 8.410 8.619 -0.209 18531
14988 1 58 . 1 1 25 25 THR N N 25 117.400 117.400 114.601 2.799 18531
14989 1 58 . 1 1 25 25 THR HA H 25 3.670 3.670 4.062 -0.392 18531
14990 1 58 . 1 1 25 25 THR CA C 25 66.800 66.800 65.365 1.435 18531
14991 1 58 . 1 1 25 25 THR CB C 25 68.000 68.000 68.457 -0.457 18531
14992 1 58 . 1 1 25 25 THR H H 25 8.380 8.380 7.878 0.502 18531
14993 1 58 . 1 1 26 26 ALA N N 26 125.100 125.100 123.870 1.230 18531
14994 1 58 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.606 -0.416 18531
14995 1 58 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.864 1.136 18531
14996 1 58 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.637 -0.337 18531
14997 1 58 . 1 1 26 26 ALA H H 26 7.220 7.220 7.200 0.020 18531
14998 1 58 . 1 1 27 27 GLU N N 27 117.400 117.400 119.441 -2.041 18531
14999 1 58 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.756 -1.166 18531
15000 1 58 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.130 -0.430 18531
15001 1 58 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.299 -0.099 18531
15002 1 58 . 1 1 27 27 GLU H H 27 8.370 8.370 8.387 -0.017 18531
15003 1 58 . 1 1 28 28 LYS N N 28 116.300 116.300 119.170 -2.870 18531
15004 1 58 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.814 -0.144 18531
15005 1 58 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.468 0.132 18531
15006 1 58 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.138 0.062 18531
15007 1 58 . 1 1 28 28 LYS H H 28 7.170 7.170 7.518 -0.348 18531
15008 1 58 . 1 1 29 29 ALA N N 29 122.000 122.000 122.293 -0.293 18531
15009 1 58 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.995 0.095 18531
15010 1 58 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.865 -0.165 18531
15011 1 58 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.876 -0.376 18531
15012 1 58 . 1 1 29 29 ALA H H 29 7.200 7.200 7.165 0.035 18531
15013 1 58 . 1 1 30 30 PHE N N 30 119.600 119.600 117.290 2.310 18531
15014 1 58 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.282 0.498 18531
15015 1 58 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.335 -3.735 18531
15016 1 58 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.434 -1.034 18531
15017 1 58 . 1 1 30 30 PHE H H 30 8.610 8.610 8.044 0.566 18531
15018 1 58 . 1 1 31 31 LYS N N 31 122.800 122.800 118.747 4.053 18531
15019 1 58 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.114 -0.024 18531
15020 1 58 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.544 0.156 18531
15021 1 58 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.938 -0.338 18531
15022 1 58 . 1 1 31 31 LYS H H 31 9.030 9.030 8.452 0.578 18531
15023 1 58 . 1 1 32 32 GLN N N 32 119.600 119.600 119.105 0.495 18531
15024 1 58 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.008 0.022 18531
15025 1 58 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.089 -0.389 18531
15026 1 58 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.648 -0.548 18531
15027 1 58 . 1 1 32 32 GLN H H 32 7.510 7.510 8.529 -1.019 18531
15028 1 58 . 1 1 33 33 TYR N N 33 120.400 120.400 119.040 1.360 18531
15029 1 58 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.744 -0.494 18531
15030 1 58 . 1 1 33 33 TYR CA C 33 61.800 61.800 59.471 2.329 18531
15031 1 58 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.508 0.192 18531
15032 1 58 . 1 1 33 33 TYR H H 33 8.080 8.080 7.931 0.149 18531
15033 1 58 . 1 1 34 34 ALA N N 34 122.300 122.300 122.909 -0.609 18531
15034 1 58 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.070 -0.290 18531
15035 1 58 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.074 1.026 18531
15036 1 58 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.588 -0.888 18531
15037 1 58 . 1 1 34 34 ALA H H 34 9.210 9.210 8.200 1.010 18531
15038 1 58 . 1 1 35 35 ASN N N 35 117.700 117.700 117.772 -0.072 18531
15039 1 58 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.470 -0.010 18531
15040 1 58 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.918 1.082 18531
15041 1 58 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.048 0.952 18531
15042 1 58 . 1 1 35 35 ASN H H 35 8.390 8.390 7.958 0.432 18531
15043 1 58 . 1 1 36 36 ASP N N 36 121.100 121.100 120.236 0.864 18531
15044 1 58 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.425 -0.065 18531
15045 1 58 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.742 -0.042 18531
15046 1 58 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.161 -0.161 18531
15047 1 58 . 1 1 36 36 ASP H H 36 8.830 8.830 7.962 0.868 18531
15048 1 58 . 1 1 37 37 ASN N N 37 115.200 115.200 114.781 0.419 18531
15049 1 58 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.753 -0.143 18531
15050 1 58 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.504 1.196 18531
15051 1 58 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.134 0.866 18531
15052 1 58 . 1 1 37 37 ASN H H 37 7.390 7.390 7.380 0.010 18531
15053 1 58 . 1 1 38 38 GLY N N 38 108.200 108.200 108.929 -0.729 18531
15054 1 58 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.118 0.282 18531
15055 1 58 . 1 1 38 38 GLY H H 38 7.800 7.800 8.087 -0.287 18531
15056 1 58 . 1 1 39 39 VAL N N 39 120.800 120.800 121.273 -0.473 18531
15057 1 58 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.273 -0.133 18531
15058 1 58 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.608 1.093 18531
15059 1 58 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.062 0.238 18531
15060 1 58 . 1 1 39 39 VAL H H 39 8.120 8.120 8.079 0.041 18531
15061 1 58 . 1 1 40 40 ASP N N 40 128.000 128.000 126.522 1.478 18531
15062 1 58 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.882 0.008 18531
15063 1 58 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.162 -0.362 18531
15064 1 58 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.580 -0.479 18531
15065 1 58 . 1 1 40 40 ASP H H 40 8.770 8.770 8.266 0.504 18531
15066 1 58 . 1 1 41 41 GLY N N 41 107.100 107.100 109.161 -2.061 18531
15067 1 58 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.257 0.143 18531
15068 1 58 . 1 1 41 41 GLY H H 41 7.910 7.910 8.343 -0.433 18531
15069 1 58 . 1 1 42 42 VAL N N 42 120.300 120.300 120.193 0.107 18531
15070 1 58 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.563 -0.183 18531
15071 1 58 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.292 0.808 18531
15072 1 58 . 1 1 42 42 VAL CB C 42 33.400 33.400 34.046 -0.646 18531
15073 1 58 . 1 1 42 42 VAL H H 42 8.250 8.250 8.614 -0.364 18531
15074 1 58 . 1 1 43 43 TRP N N 43 130.700 130.700 121.947 8.753 18531
15075 1 58 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.363 -0.003 18531
15076 1 58 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.462 1.138 18531
15077 1 58 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.115 -0.915 18531
15078 1 58 . 1 1 43 43 TRP H H 43 9.360 9.360 8.713 0.647 18531
15079 1 58 . 1 1 44 44 THR N N 44 114.500 114.500 119.748 -5.248 18531
15080 1 58 . 1 1 44 44 THR HA H 44 4.830 4.830 4.578 0.252 18531
15081 1 58 . 1 1 44 44 THR CA C 44 60.300 60.300 61.645 -1.345 18531
15082 1 58 . 1 1 44 44 THR CB C 44 72.100 72.100 69.124 2.976 18531
15083 1 58 . 1 1 44 44 THR H H 44 9.400 9.400 8.610 0.790 18531
15084 1 58 . 1 1 45 45 TYR N N 45 120.100 120.100 128.843 -8.743 18531
15085 1 58 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.017 -0.047 18531
15086 1 58 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.111 1.889 18531
15087 1 58 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.440 1.160 18531
15088 1 58 . 1 1 45 45 TYR H H 45 8.580 8.580 8.290 0.290 18531
15089 1 58 . 1 1 46 46 ASP N N 46 128.300 128.300 126.558 1.742 18531
15090 1 58 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.426 0.154 18531
15091 1 58 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.538 0.361 18531
15092 1 58 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.845 -0.745 18531
15093 1 58 . 1 1 46 46 ASP H H 46 7.580 7.580 7.851 -0.271 18531
15094 1 58 . 1 1 47 47 ASP N N 47 124.800 124.800 124.701 0.099 18531
15095 1 58 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.614 -0.504 18531
15096 1 58 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.026 1.474 18531
15097 1 58 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.514 1.586 18531
15098 1 58 . 1 1 47 47 ASP H H 47 8.590 8.590 8.429 0.161 18531
15099 1 58 . 1 1 48 48 ALA N N 48 119.700 119.700 121.637 -1.937 18531
15100 1 58 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.416 -0.326 18531
15101 1 58 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.875 1.125 18531
15102 1 58 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.170 -1.870 18531
15103 1 58 . 1 1 48 48 ALA H H 48 8.340 8.340 7.527 0.813 18531
15104 1 58 . 1 1 49 49 THR N N 49 103.200 103.200 110.696 -7.496 18531
15105 1 58 . 1 1 49 49 THR HA H 49 4.390 4.390 4.312 0.078 18531
15106 1 58 . 1 1 49 49 THR CA C 49 60.200 60.200 60.911 -0.711 18531
15107 1 58 . 1 1 49 49 THR CB C 49 70.000 70.000 68.612 1.388 18531
15108 1 58 . 1 1 49 49 THR H H 49 7.000 7.000 8.397 -1.397 18531
15109 1 58 . 1 1 50 50 LYS N N 50 123.100 123.100 117.609 5.491 18531
15110 1 58 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.383 -0.193 18531
15111 1 58 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.436 -0.836 18531
15112 1 58 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.334 -0.734 18531
15113 1 58 . 1 1 50 50 LYS H H 50 7.860 7.860 7.936 -0.076 18531
15114 1 58 . 1 1 51 51 THR N N 51 111.200 111.200 115.715 -4.515 18531
15115 1 58 . 1 1 51 51 THR HA H 51 5.490 5.490 4.682 0.808 18531
15116 1 58 . 1 1 51 51 THR CA C 51 62.300 62.300 62.856 -0.556 18531
15117 1 58 . 1 1 51 51 THR CB C 51 72.100 72.100 71.158 0.942 18531
15118 1 58 . 1 1 51 51 THR H H 51 7.390 7.390 7.649 -0.259 18531
15119 1 58 . 1 1 52 52 PHE N N 52 131.000 131.000 128.264 2.736 18531
15120 1 58 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.222 0.408 18531
15121 1 58 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.618 0.682 18531
15122 1 58 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.343 2.257 18531
15123 1 58 . 1 1 52 52 PHE H H 52 10.390 10.390 9.018 1.372 18531
15124 1 58 . 1 1 53 53 THR N N 53 117.400 117.400 121.118 -3.718 18531
15125 1 58 . 1 1 53 53 THR HA H 53 5.270 5.270 5.192 0.078 18531
15126 1 58 . 1 1 53 53 THR CA C 53 61.200 61.200 61.284 -0.084 18531
15127 1 58 . 1 1 53 53 THR CB C 53 71.000 71.000 70.376 0.624 18531
15128 1 58 . 1 1 53 53 THR H H 53 9.180 9.180 8.651 0.529 18531
15129 1 58 . 1 1 54 54 VAL N N 54 123.000 123.000 127.089 -4.089 18531
15130 1 58 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.358 0.102 18531
15131 1 58 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.421 -2.321 18531
15132 1 58 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.798 -0.499 18531
15133 1 58 . 1 1 54 54 VAL H H 54 8.280 8.280 8.876 -0.596 18531
15134 1 58 . 1 1 55 55 THR N N 55 123.900 123.900 123.795 0.105 18531
15135 1 58 . 1 1 55 55 THR HA H 55 4.700 4.700 4.424 0.276 18531
15136 1 58 . 1 1 55 55 THR CA C 55 61.200 61.200 62.123 -0.923 18531
15137 1 58 . 1 1 55 55 THR CB C 55 70.700 70.700 69.426 1.274 18531
15138 1 58 . 1 1 55 55 THR H H 55 8.320 8.320 8.566 -0.246 18531
15139 1 59 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.615 0.435 18531
15140 1 59 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.594 0.005 18531
15141 1 59 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.652 -0.952 18531
15142 1 59 . 1 1 2 2 GLN H H 2 8.410 8.410 7.925 0.485 18531
15143 1 59 . 1 1 3 3 TYR N N 3 124.000 124.000 122.257 1.743 18531
15144 1 59 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.356 0.004 18531
15145 1 59 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.172 0.928 18531
15146 1 59 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.539 1.061 18531
15147 1 59 . 1 1 3 3 TYR H H 3 9.070 9.070 8.975 0.095 18531
15148 1 59 . 1 1 4 4 LYS N N 4 122.500 122.500 118.713 3.787 18531
15149 1 59 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.830 0.390 18531
15150 1 59 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.653 0.347 18531
15151 1 59 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.196 -1.196 18531
15152 1 59 . 1 1 4 4 LYS H H 4 9.100 9.100 8.846 0.254 18531
15153 1 59 . 1 1 5 5 LEU N N 5 126.400 126.400 122.966 3.434 18531
15154 1 59 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.628 0.342 18531
15155 1 59 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.483 -0.683 18531
15156 1 59 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.221 -1.621 18531
15157 1 59 . 1 1 5 5 LEU H H 5 8.620 8.620 8.191 0.429 18531
15158 1 59 . 1 1 6 6 VAL N N 6 127.000 127.000 127.869 -0.869 18531
15159 1 59 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.135 0.025 18531
15160 1 59 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.530 -0.230 18531
15161 1 59 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.437 0.263 18531
15162 1 59 . 1 1 6 6 VAL H H 6 9.190 9.190 8.315 0.875 18531
15163 1 59 . 1 1 7 7 ILE N N 7 125.400 125.400 128.916 -3.516 18531
15164 1 59 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.305 -0.215 18531
15165 1 59 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.012 -0.312 18531
15166 1 59 . 1 1 7 7 ILE CB C 7 39.000 39.000 36.979 2.021 18531
15167 1 59 . 1 1 7 7 ILE H H 7 8.800 8.800 8.778 0.022 18531
15168 1 59 . 1 1 8 8 ASN N N 8 128.900 128.900 125.651 3.249 18531
15169 1 59 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.948 0.332 18531
15170 1 59 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.567 -1.767 18531
15171 1 59 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.694 -0.594 18531
15172 1 59 . 1 1 8 8 ASN H H 8 8.990 8.990 7.970 1.020 18531
15173 1 59 . 1 1 9 9 GLY N N 9 110.200 110.200 108.418 1.782 18531
15174 1 59 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.662 0.038 18531
15175 1 59 . 1 1 9 9 GLY H H 9 7.920 7.920 7.547 0.373 18531
15176 1 59 . 1 1 10 10 LYS N N 10 120.700 120.700 120.316 0.384 18531
15177 1 59 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.288 -0.228 18531
15178 1 59 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.107 1.093 18531
15179 1 59 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.248 -0.348 18531
15180 1 59 . 1 1 10 10 LYS H H 10 9.520 9.520 8.557 0.963 18531
15181 1 59 . 1 1 11 11 THR N N 11 108.900 108.900 113.127 -4.227 18531
15182 1 59 . 1 1 11 11 THR HA H 11 4.360 4.360 4.470 -0.110 18531
15183 1 59 . 1 1 11 11 THR CA C 11 62.000 62.000 61.615 0.385 18531
15184 1 59 . 1 1 11 11 THR CB C 11 69.800 69.800 69.323 0.477 18531
15185 1 59 . 1 1 11 11 THR H H 11 8.790 8.790 8.226 0.564 18531
15186 1 59 . 1 1 12 12 LEU N N 12 125.700 125.700 124.075 1.625 18531
15187 1 59 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.576 -0.136 18531
15188 1 59 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.032 -0.032 18531
15189 1 59 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.174 -0.874 18531
15190 1 59 . 1 1 12 12 LEU H H 12 7.580 7.580 7.643 -0.063 18531
15191 1 59 . 1 1 13 13 LYS N N 13 123.500 123.500 123.471 0.029 18531
15192 1 59 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.645 -0.525 18531
15193 1 59 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.411 -0.511 18531
15194 1 59 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.546 -0.746 18531
15195 1 59 . 1 1 13 13 LYS H H 13 8.140 8.140 8.326 -0.186 18531
15196 1 59 . 1 1 14 14 GLY N N 14 109.100 109.100 109.401 -0.301 18531
15197 1 59 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.458 -0.258 18531
15198 1 59 . 1 1 14 14 GLY H H 14 8.340 8.340 8.195 0.145 18531
15199 1 59 . 1 1 15 15 GLU N N 15 118.200 118.200 120.541 -2.341 18531
15200 1 59 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.116 0.484 18531
15201 1 59 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.224 -0.724 18531
15202 1 59 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.880 0.920 18531
15203 1 59 . 1 1 15 15 GLU H H 15 8.390 8.390 8.495 -0.105 18531
15204 1 59 . 1 1 16 16 THR N N 16 115.600 115.600 118.965 -3.365 18531
15205 1 59 . 1 1 16 16 THR HA H 16 4.730 4.730 4.589 0.141 18531
15206 1 59 . 1 1 16 16 THR CA C 16 60.600 60.600 60.909 -0.309 18531
15207 1 59 . 1 1 16 16 THR CB C 16 69.500 69.500 69.414 0.086 18531
15208 1 59 . 1 1 16 16 THR H H 16 8.820 8.820 8.429 0.391 18531
15209 1 59 . 1 1 17 17 THR N N 17 111.800 111.800 117.489 -5.689 18531
15210 1 59 . 1 1 17 17 THR HA H 17 5.790 5.790 5.035 0.755 18531
15211 1 59 . 1 1 17 17 THR CA C 17 59.800 59.800 60.400 -0.600 18531
15212 1 59 . 1 1 17 17 THR CB C 17 73.100 73.100 70.507 2.593 18531
15213 1 59 . 1 1 17 17 THR H H 17 8.140 8.140 8.308 -0.168 18531
15214 1 59 . 1 1 18 18 THR N N 18 115.100 115.100 120.377 -5.277 18531
15215 1 59 . 1 1 18 18 THR HA H 18 4.640 4.640 4.688 -0.048 18531
15216 1 59 . 1 1 18 18 THR CA C 18 61.900 61.900 61.683 0.217 18531
15217 1 59 . 1 1 18 18 THR CB C 18 70.000 70.000 71.603 -1.603 18531
15218 1 59 . 1 1 18 18 THR H H 18 8.930 8.930 8.471 0.459 18531
15219 1 59 . 1 1 19 19 LYS N N 19 124.300 124.300 121.993 2.307 18531
15220 1 59 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.699 0.631 18531
15221 1 59 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.570 -0.570 18531
15222 1 59 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.054 -0.254 18531
15223 1 59 . 1 1 19 19 LYS H H 19 7.950 7.950 8.444 -0.494 18531
15224 1 59 . 1 1 20 20 ALA N N 20 124.600 124.600 124.001 0.599 18531
15225 1 59 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.591 0.189 18531
15226 1 59 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.966 -1.066 18531
15227 1 59 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.455 2.345 18531
15228 1 59 . 1 1 20 20 ALA H H 20 9.110 9.110 8.171 0.939 18531
15229 1 59 . 1 1 21 21 VAL N N 21 115.300 115.300 118.836 -3.536 18531
15230 1 59 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.918 0.192 18531
15231 1 59 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.877 -1.577 18531
15232 1 59 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.837 0.363 18531
15233 1 59 . 1 1 21 21 VAL H H 21 8.480 8.480 8.448 0.032 18531
15234 1 59 . 1 1 22 22 ASP N N 22 115.200 115.200 113.432 1.768 18531
15235 1 59 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.953 -0.243 18531
15236 1 59 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.529 -0.129 18531
15237 1 59 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.966 0.234 18531
15238 1 59 . 1 1 22 22 ASP H H 22 7.310 7.310 7.656 -0.346 18531
15239 1 59 . 1 1 23 23 ALA N N 23 121.000 121.000 122.099 -1.099 18531
15240 1 59 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.644 -0.304 18531
15241 1 59 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.920 -0.020 18531
15242 1 59 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.372 -0.872 18531
15243 1 59 . 1 1 23 23 ALA H H 23 8.370 8.370 8.886 -0.516 18531
15244 1 59 . 1 1 24 24 GLU N N 24 118.900 118.900 117.815 1.085 18531
15245 1 59 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.848 0.012 18531
15246 1 59 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.436 0.264 18531
15247 1 59 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.906 0.194 18531
15248 1 59 . 1 1 24 24 GLU H H 24 8.410 8.410 8.362 0.048 18531
15249 1 59 . 1 1 25 25 THR N N 25 117.400 117.400 113.285 4.115 18531
15250 1 59 . 1 1 25 25 THR HA H 25 3.670 3.670 4.171 -0.501 18531
15251 1 59 . 1 1 25 25 THR CA C 25 66.800 66.800 64.278 2.522 18531
15252 1 59 . 1 1 25 25 THR CB C 25 68.000 68.000 68.867 -0.867 18531
15253 1 59 . 1 1 25 25 THR H H 25 8.380 8.380 8.105 0.275 18531
15254 1 59 . 1 1 26 26 ALA N N 26 125.100 125.100 124.664 0.436 18531
15255 1 59 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.563 -0.373 18531
15256 1 59 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.700 0.300 18531
15257 1 59 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.814 -0.514 18531
15258 1 59 . 1 1 26 26 ALA H H 26 7.220 7.220 7.834 -0.614 18531
15259 1 59 . 1 1 27 27 GLU N N 27 117.400 117.400 119.156 -1.756 18531
15260 1 59 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.394 -0.804 18531
15261 1 59 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.870 -0.170 18531
15262 1 59 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.390 -0.190 18531
15263 1 59 . 1 1 27 27 GLU H H 27 8.370 8.370 8.460 -0.090 18531
15264 1 59 . 1 1 28 28 LYS N N 28 116.300 116.300 118.668 -2.368 18531
15265 1 59 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.770 -0.100 18531
15266 1 59 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.166 0.434 18531
15267 1 59 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.771 0.429 18531
15268 1 59 . 1 1 28 28 LYS H H 28 7.170 7.170 7.577 -0.407 18531
15269 1 59 . 1 1 29 29 ALA N N 29 122.000 122.000 122.419 -0.419 18531
15270 1 59 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.982 0.108 18531
15271 1 59 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.772 -0.072 18531
15272 1 59 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.848 -0.348 18531
15273 1 59 . 1 1 29 29 ALA H H 29 7.200 7.200 7.113 0.087 18531
15274 1 59 . 1 1 30 30 PHE N N 30 119.600 119.600 116.482 3.118 18531
15275 1 59 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.219 0.561 18531
15276 1 59 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.665 -4.065 18531
15277 1 59 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.196 -0.796 18531
15278 1 59 . 1 1 30 30 PHE H H 30 8.610 8.610 7.875 0.735 18531
15279 1 59 . 1 1 31 31 LYS N N 31 122.800 122.800 117.595 5.205 18531
15280 1 59 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.936 0.154 18531
15281 1 59 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.945 0.755 18531
15282 1 59 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.864 -0.264 18531
15283 1 59 . 1 1 31 31 LYS H H 31 9.030 9.030 8.244 0.786 18531
15284 1 59 . 1 1 32 32 GLN N N 32 119.600 119.600 119.632 -0.032 18531
15285 1 59 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.970 0.060 18531
15286 1 59 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.139 -0.439 18531
15287 1 59 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.492 -0.392 18531
15288 1 59 . 1 1 32 32 GLN H H 32 7.510 7.510 8.291 -0.781 18531
15289 1 59 . 1 1 33 33 TYR N N 33 120.400 120.400 118.877 1.523 18531
15290 1 59 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.304 -0.054 18531
15291 1 59 . 1 1 33 33 TYR CA C 33 61.800 61.800 59.609 2.191 18531
15292 1 59 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.551 0.149 18531
15293 1 59 . 1 1 33 33 TYR H H 33 8.080 8.080 7.871 0.209 18531
15294 1 59 . 1 1 34 34 ALA N N 34 122.300 122.300 123.436 -1.136 18531
15295 1 59 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.091 -0.311 18531
15296 1 59 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.497 1.603 18531
15297 1 59 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.849 -1.149 18531
15298 1 59 . 1 1 34 34 ALA H H 34 9.210 9.210 8.165 1.045 18531
15299 1 59 . 1 1 35 35 ASN N N 35 117.700 117.700 117.906 -0.206 18531
15300 1 59 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.459 0.001 18531
15301 1 59 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.765 1.235 18531
15302 1 59 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.133 0.867 18531
15303 1 59 . 1 1 35 35 ASN H H 35 8.390 8.390 8.042 0.348 18531
15304 1 59 . 1 1 36 36 ASP N N 36 121.100 121.100 119.593 1.507 18531
15305 1 59 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.533 -0.173 18531
15306 1 59 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.463 0.237 18531
15307 1 59 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.148 -1.148 18531
15308 1 59 . 1 1 36 36 ASP H H 36 8.830 8.830 7.888 0.942 18531
15309 1 59 . 1 1 37 37 ASN N N 37 115.200 115.200 117.273 -2.073 18531
15310 1 59 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.868 -0.258 18531
15311 1 59 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.519 1.181 18531
15312 1 59 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.332 0.668 18531
15313 1 59 . 1 1 37 37 ASN H H 37 7.390 7.390 7.760 -0.370 18531
15314 1 59 . 1 1 38 38 GLY N N 38 108.200 108.200 107.926 0.274 18531
15315 1 59 . 1 1 38 38 GLY CA C 38 46.400 46.400 44.865 1.535 18531
15316 1 59 . 1 1 38 38 GLY H H 38 7.800 7.800 7.384 0.416 18531
15317 1 59 . 1 1 39 39 VAL N N 39 120.800 120.800 117.325 3.475 18531
15318 1 59 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.829 0.311 18531
15319 1 59 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.436 -0.736 18531
15320 1 59 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.167 1.133 18531
15321 1 59 . 1 1 39 39 VAL H H 39 8.120 8.120 8.396 -0.276 18531
15322 1 59 . 1 1 40 40 ASP N N 40 128.000 128.000 124.218 3.782 18531
15323 1 59 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.900 -0.010 18531
15324 1 59 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.791 -0.991 18531
15325 1 59 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.387 -0.287 18531
15326 1 59 . 1 1 40 40 ASP H H 40 8.770 8.770 8.284 0.486 18531
15327 1 59 . 1 1 41 41 GLY N N 41 107.100 107.100 111.239 -4.139 18531
15328 1 59 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.516 -0.116 18531
15329 1 59 . 1 1 41 41 GLY H H 41 7.910 7.910 8.361 -0.451 18531
15330 1 59 . 1 1 42 42 VAL N N 42 120.300 120.300 118.330 1.970 18531
15331 1 59 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.466 -0.086 18531
15332 1 59 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.938 1.162 18531
15333 1 59 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.165 0.235 18531
15334 1 59 . 1 1 42 42 VAL H H 42 8.250 8.250 8.026 0.224 18531
15335 1 59 . 1 1 43 43 TRP N N 43 130.700 130.700 126.360 4.340 18531
15336 1 59 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.174 0.186 18531
15337 1 59 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.990 1.610 18531
15338 1 59 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.929 -0.729 18531
15339 1 59 . 1 1 43 43 TRP H H 43 9.360 9.360 8.464 0.896 18531
15340 1 59 . 1 1 44 44 THR N N 44 114.500 114.500 116.157 -1.657 18531
15341 1 59 . 1 1 44 44 THR HA H 44 4.830 4.830 4.592 0.238 18531
15342 1 59 . 1 1 44 44 THR CA C 44 60.300 60.300 61.021 -0.721 18531
15343 1 59 . 1 1 44 44 THR CB C 44 72.100 72.100 70.856 1.244 18531
15344 1 59 . 1 1 44 44 THR H H 44 9.400 9.400 8.300 1.100 18531
15345 1 59 . 1 1 45 45 TYR N N 45 120.100 120.100 121.312 -1.212 18531
15346 1 59 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.720 0.250 18531
15347 1 59 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.986 0.014 18531
15348 1 59 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.757 -0.157 18531
15349 1 59 . 1 1 45 45 TYR H H 45 8.580 8.580 8.211 0.369 18531
15350 1 59 . 1 1 46 46 ASP N N 46 128.300 128.300 125.168 3.132 18531
15351 1 59 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.441 0.139 18531
15352 1 59 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.770 0.130 18531
15353 1 59 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.479 -0.379 18531
15354 1 59 . 1 1 46 46 ASP H H 46 7.580 7.580 8.329 -0.749 18531
15355 1 59 . 1 1 47 47 ASP N N 47 124.800 124.800 124.244 0.556 18531
15356 1 59 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.401 -0.291 18531
15357 1 59 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.879 1.621 18531
15358 1 59 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.225 1.875 18531
15359 1 59 . 1 1 47 47 ASP H H 47 8.590 8.590 8.359 0.231 18531
15360 1 59 . 1 1 48 48 ALA N N 48 119.700 119.700 121.919 -2.219 18531
15361 1 59 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.391 -0.301 18531
15362 1 59 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.980 1.020 18531
15363 1 59 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.753 -1.453 18531
15364 1 59 . 1 1 48 48 ALA H H 48 8.340 8.340 7.854 0.486 18531
15365 1 59 . 1 1 49 49 THR N N 49 103.200 103.200 111.110 -7.910 18531
15366 1 59 . 1 1 49 49 THR HA H 49 4.390 4.390 4.382 0.008 18531
15367 1 59 . 1 1 49 49 THR CA C 49 60.200 60.200 60.493 -0.293 18531
15368 1 59 . 1 1 49 49 THR CB C 49 70.000 70.000 68.908 1.092 18531
15369 1 59 . 1 1 49 49 THR H H 49 7.000 7.000 8.271 -1.271 18531
15370 1 59 . 1 1 50 50 LYS N N 50 123.100 123.100 117.655 5.445 18531
15371 1 59 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.249 -0.059 18531
15372 1 59 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.373 -0.773 18531
15373 1 59 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.233 -0.633 18531
15374 1 59 . 1 1 50 50 LYS H H 50 7.860 7.860 8.188 -0.328 18531
15375 1 59 . 1 1 51 51 THR N N 51 111.200 111.200 113.550 -2.350 18531
15376 1 59 . 1 1 51 51 THR HA H 51 5.490 5.490 4.915 0.575 18531
15377 1 59 . 1 1 51 51 THR CA C 51 62.300 62.300 62.431 -0.131 18531
15378 1 59 . 1 1 51 51 THR CB C 51 72.100 72.100 72.010 0.090 18531
15379 1 59 . 1 1 51 51 THR H H 51 7.390 7.390 7.517 -0.127 18531
15380 1 59 . 1 1 52 52 PHE N N 52 131.000 131.000 122.885 8.115 18531
15381 1 59 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.070 0.560 18531
15382 1 59 . 1 1 52 52 PHE CA C 52 57.300 57.300 59.063 -1.763 18531
15383 1 59 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.000 0.600 18531
15384 1 59 . 1 1 52 52 PHE H H 52 10.390 10.390 8.785 1.605 18531
15385 1 59 . 1 1 53 53 THR N N 53 117.400 117.400 113.135 4.265 18531
15386 1 59 . 1 1 53 53 THR HA H 53 5.270 5.270 3.982 1.288 18531
15387 1 59 . 1 1 53 53 THR CA C 53 61.200 61.200 63.820 -2.620 18531
15388 1 59 . 1 1 53 53 THR CB C 53 71.000 71.000 68.570 2.430 18531
15389 1 59 . 1 1 53 53 THR H H 53 9.180 9.180 7.887 1.293 18531
15390 1 59 . 1 1 54 54 VAL N N 54 123.000 123.000 125.095 -2.095 18531
15391 1 59 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.096 0.364 18531
15392 1 59 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.629 -1.529 18531
15393 1 59 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.394 -2.094 18531
15394 1 59 . 1 1 54 54 VAL H H 54 8.280 8.280 8.784 -0.504 18531
15395 1 59 . 1 1 55 55 THR N N 55 123.900 123.900 123.683 0.217 18531
15396 1 59 . 1 1 55 55 THR HA H 55 4.700 4.700 4.561 0.139 18531
15397 1 59 . 1 1 55 55 THR CA C 55 61.200 61.200 61.176 0.024 18531
15398 1 59 . 1 1 55 55 THR CB C 55 70.700 70.700 70.745 -0.045 18531
15399 1 59 . 1 1 55 55 THR H H 55 8.320 8.320 8.433 -0.113 18531
15400 1 60 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.859 0.191 18531
15401 1 60 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.415 1.185 18531
15402 1 60 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.040 0.660 18531
15403 1 60 . 1 1 2 2 GLN H H 2 8.410 8.410 8.245 0.165 18531
15404 1 60 . 1 1 3 3 TYR N N 3 124.000 124.000 122.775 1.225 18531
15405 1 60 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.951 0.409 18531
15406 1 60 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.794 1.306 18531
15407 1 60 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.391 3.209 18531
15408 1 60 . 1 1 3 3 TYR H H 3 9.070 9.070 7.725 1.345 18531
15409 1 60 . 1 1 4 4 LYS N N 4 122.500 122.500 119.282 3.218 18531
15410 1 60 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.254 -0.034 18531
15411 1 60 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.317 0.683 18531
15412 1 60 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.548 -0.548 18531
15413 1 60 . 1 1 4 4 LYS H H 4 9.100 9.100 8.283 0.817 18531
15414 1 60 . 1 1 5 5 LEU N N 5 126.400 126.400 125.312 1.088 18531
15415 1 60 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.085 -0.115 18531
15416 1 60 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.559 -0.759 18531
15417 1 60 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.131 -1.531 18531
15418 1 60 . 1 1 5 5 LEU H H 5 8.620 8.620 8.283 0.337 18531
15419 1 60 . 1 1 6 6 VAL N N 6 127.000 127.000 127.950 -0.950 18531
15420 1 60 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.233 -0.073 18531
15421 1 60 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.709 0.591 18531
15422 1 60 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.109 0.591 18531
15423 1 60 . 1 1 6 6 VAL H H 6 9.190 9.190 9.156 0.034 18531
15424 1 60 . 1 1 7 7 ILE N N 7 125.400 125.400 128.313 -2.913 18531
15425 1 60 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.407 -0.317 18531
15426 1 60 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.637 0.063 18531
15427 1 60 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.724 -0.724 18531
15428 1 60 . 1 1 7 7 ILE H H 7 8.800 8.800 8.162 0.638 18531
15429 1 60 . 1 1 8 8 ASN N N 8 128.900 128.900 126.175 2.725 18531
15430 1 60 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.058 0.222 18531
15431 1 60 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.413 -1.613 18531
15432 1 60 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.700 -1.600 18531
15433 1 60 . 1 1 8 8 ASN H H 8 8.990 8.990 8.992 -0.002 18531
15434 1 60 . 1 1 9 9 GLY N N 9 110.200 110.200 109.257 0.943 18531
15435 1 60 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.420 0.280 18531
15436 1 60 . 1 1 9 9 GLY H H 9 7.920 7.920 7.875 0.045 18531
15437 1 60 . 1 1 10 10 LYS N N 10 120.700 120.700 119.709 0.991 18531
15438 1 60 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.267 -0.207 18531
15439 1 60 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.052 1.148 18531
15440 1 60 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.123 -0.223 18531
15441 1 60 . 1 1 10 10 LYS H H 10 9.520 9.520 8.208 1.312 18531
15442 1 60 . 1 1 11 11 THR N N 11 108.900 108.900 110.932 -2.032 18531
15443 1 60 . 1 1 11 11 THR HA H 11 4.360 4.360 4.475 -0.115 18531
15444 1 60 . 1 1 11 11 THR CA C 11 62.000 62.000 61.944 0.056 18531
15445 1 60 . 1 1 11 11 THR CB C 11 69.800 69.800 69.422 0.378 18531
15446 1 60 . 1 1 11 11 THR H H 11 8.790 8.790 8.212 0.578 18531
15447 1 60 . 1 1 12 12 LEU N N 12 125.700 125.700 123.279 2.421 18531
15448 1 60 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.539 -0.099 18531
15449 1 60 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.191 -0.191 18531
15450 1 60 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.960 -0.660 18531
15451 1 60 . 1 1 12 12 LEU H H 12 7.580 7.580 7.689 -0.109 18531
15452 1 60 . 1 1 13 13 LYS N N 13 123.500 123.500 124.170 -0.670 18531
15453 1 60 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.799 0.321 18531
15454 1 60 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.996 -1.096 18531
15455 1 60 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.207 -0.407 18531
15456 1 60 . 1 1 13 13 LYS H H 13 8.140 8.140 8.379 -0.239 18531
15457 1 60 . 1 1 14 14 GLY N N 14 109.100 109.100 109.984 -0.884 18531
15458 1 60 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.997 -0.797 18531
15459 1 60 . 1 1 14 14 GLY H H 14 8.340 8.340 8.270 0.070 18531
15460 1 60 . 1 1 15 15 GLU N N 15 118.200 118.200 118.727 -0.527 18531
15461 1 60 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.569 0.031 18531
15462 1 60 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.767 -0.267 18531
15463 1 60 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.437 0.363 18531
15464 1 60 . 1 1 15 15 GLU H H 15 8.390 8.390 8.291 0.099 18531
15465 1 60 . 1 1 16 16 THR N N 16 115.600 115.600 114.280 1.320 18531
15466 1 60 . 1 1 16 16 THR HA H 16 4.730 4.730 4.632 0.098 18531
15467 1 60 . 1 1 16 16 THR CA C 16 60.600 60.600 60.726 -0.126 18531
15468 1 60 . 1 1 16 16 THR CB C 16 69.500 69.500 69.345 0.155 18531
15469 1 60 . 1 1 16 16 THR H H 16 8.820 8.820 8.263 0.557 18531
15470 1 60 . 1 1 17 17 THR N N 17 111.800 111.800 113.423 -1.623 18531
15471 1 60 . 1 1 17 17 THR HA H 17 5.790 5.790 5.460 0.330 18531
15472 1 60 . 1 1 17 17 THR CA C 17 59.800 59.800 59.994 -0.194 18531
15473 1 60 . 1 1 17 17 THR CB C 17 73.100 73.100 71.880 1.220 18531
15474 1 60 . 1 1 17 17 THR H H 17 8.140 8.140 8.111 0.029 18531
15475 1 60 . 1 1 18 18 THR N N 18 115.100 115.100 114.333 0.767 18531
15476 1 60 . 1 1 18 18 THR HA H 18 4.640 4.640 4.568 0.072 18531
15477 1 60 . 1 1 18 18 THR CA C 18 61.900 61.900 61.493 0.407 18531
15478 1 60 . 1 1 18 18 THR CB C 18 70.000 70.000 70.142 -0.142 18531
15479 1 60 . 1 1 18 18 THR H H 18 8.930 8.930 8.430 0.500 18531
15480 1 60 . 1 1 19 19 LYS N N 19 124.300 124.300 120.200 4.100 18531
15481 1 60 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.872 0.458 18531
15482 1 60 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.310 -0.310 18531
15483 1 60 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.307 -0.507 18531
15484 1 60 . 1 1 19 19 LYS H H 19 7.950 7.950 8.164 -0.214 18531
15485 1 60 . 1 1 20 20 ALA N N 20 124.600 124.600 126.828 -2.228 18531
15486 1 60 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.700 0.080 18531
15487 1 60 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.569 -0.669 18531
15488 1 60 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.040 2.760 18531
15489 1 60 . 1 1 20 20 ALA H H 20 9.110 9.110 8.217 0.893 18531
15490 1 60 . 1 1 21 21 VAL N N 21 115.300 115.300 115.923 -0.623 18531
15491 1 60 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.211 -0.101 18531
15492 1 60 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.994 0.306 18531
15493 1 60 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.165 0.035 18531
15494 1 60 . 1 1 21 21 VAL H H 21 8.480 8.480 8.108 0.372 18531
15495 1 60 . 1 1 22 22 ASP N N 22 115.200 115.200 117.879 -2.679 18531
15496 1 60 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.700 0.010 18531
15497 1 60 . 1 1 22 22 ASP CA C 22 52.400 52.400 54.039 -1.639 18531
15498 1 60 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.224 -0.023 18531
15499 1 60 . 1 1 22 22 ASP H H 22 7.310 7.310 7.581 -0.271 18531
15500 1 60 . 1 1 23 23 ALA N N 23 121.000 121.000 126.203 -5.203 18531
15501 1 60 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.829 -0.489 18531
15502 1 60 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.258 -0.358 18531
15503 1 60 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.692 -1.192 18531
15504 1 60 . 1 1 23 23 ALA H H 23 8.370 8.370 8.825 -0.455 18531
15505 1 60 . 1 1 24 24 GLU N N 24 118.900 118.900 118.198 0.702 18531
15506 1 60 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.858 0.001 18531
15507 1 60 . 1 1 24 24 GLU CA C 24 59.700 59.700 60.100 -0.400 18531
15508 1 60 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.842 0.258 18531
15509 1 60 . 1 1 24 24 GLU H H 24 8.410 8.410 8.857 -0.447 18531
15510 1 60 . 1 1 25 25 THR N N 25 117.400 117.400 114.275 3.125 18531
15511 1 60 . 1 1 25 25 THR HA H 25 3.670 3.670 3.978 -0.308 18531
15512 1 60 . 1 1 25 25 THR CA C 25 66.800 66.800 64.826 1.974 18531
15513 1 60 . 1 1 25 25 THR CB C 25 68.000 68.000 68.407 -0.407 18531
15514 1 60 . 1 1 25 25 THR H H 25 8.380 8.380 8.133 0.247 18531
15515 1 60 . 1 1 26 26 ALA N N 26 125.100 125.100 123.672 1.428 18531
15516 1 60 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.694 -0.504 18531
15517 1 60 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.812 0.188 18531
15518 1 60 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.099 -0.799 18531
15519 1 60 . 1 1 26 26 ALA H H 26 7.220 7.220 7.695 -0.475 18531
15520 1 60 . 1 1 27 27 GLU N N 27 117.400 117.400 119.099 -1.699 18531
15521 1 60 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.853 -1.263 18531
15522 1 60 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.617 0.083 18531
15523 1 60 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.444 -0.244 18531
15524 1 60 . 1 1 27 27 GLU H H 27 8.370 8.370 8.325 0.045 18531
15525 1 60 . 1 1 28 28 LYS N N 28 116.300 116.300 118.657 -2.357 18531
15526 1 60 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.816 -0.145 18531
15527 1 60 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.758 -0.158 18531
15528 1 60 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.921 0.279 18531
15529 1 60 . 1 1 28 28 LYS H H 28 7.170 7.170 7.502 -0.332 18531
15530 1 60 . 1 1 29 29 ALA N N 29 122.000 122.000 120.260 1.740 18531
15531 1 60 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.053 0.038 18531
15532 1 60 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.575 0.125 18531
15533 1 60 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.814 -0.314 18531
15534 1 60 . 1 1 29 29 ALA H H 29 7.200 7.200 7.298 -0.098 18531
15535 1 60 . 1 1 30 30 PHE N N 30 119.600 119.600 116.971 2.629 18531
15536 1 60 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.418 0.362 18531
15537 1 60 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.666 -3.066 18531
15538 1 60 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.399 -0.999 18531
15539 1 60 . 1 1 30 30 PHE H H 30 8.610 8.610 7.162 1.448 18531
15540 1 60 . 1 1 31 31 LYS N N 31 122.800 122.800 120.369 2.431 18531
15541 1 60 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.107 -0.017 18531
15542 1 60 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.205 -0.505 18531
15543 1 60 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.679 -0.079 18531
15544 1 60 . 1 1 31 31 LYS H H 31 9.030 9.030 8.627 0.403 18531
15545 1 60 . 1 1 32 32 GLN N N 32 119.600 119.600 118.032 1.568 18531
15546 1 60 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.066 -0.036 18531
15547 1 60 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.182 -0.482 18531
15548 1 60 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.739 -0.639 18531
15549 1 60 . 1 1 32 32 GLN H H 32 7.510 7.510 8.251 -0.741 18531
15550 1 60 . 1 1 33 33 TYR N N 33 120.400 120.400 120.035 0.365 18531
15551 1 60 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.238 0.012 18531
15552 1 60 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.930 0.870 18531
15553 1 60 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.611 0.089 18531
15554 1 60 . 1 1 33 33 TYR H H 33 8.080 8.080 7.474 0.606 18531
15555 1 60 . 1 1 34 34 ALA N N 34 122.300 122.300 121.032 1.268 18531
15556 1 60 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.003 -0.223 18531
15557 1 60 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.504 0.596 18531
15558 1 60 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.601 -0.901 18531
15559 1 60 . 1 1 34 34 ALA H H 34 9.210 9.210 8.864 0.346 18531
15560 1 60 . 1 1 35 35 ASN N N 35 117.700 117.700 116.093 1.607 18531
15561 1 60 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.722 -0.262 18531
15562 1 60 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.449 1.551 18531
15563 1 60 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.433 0.567 18531
15564 1 60 . 1 1 35 35 ASN H H 35 8.390 8.390 8.818 -0.428 18531
15565 1 60 . 1 1 36 36 ASP N N 36 121.100 121.100 119.880 1.220 18531
15566 1 60 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.651 -0.291 18531
15567 1 60 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.626 1.074 18531
15568 1 60 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.198 -1.198 18531
15569 1 60 . 1 1 36 36 ASP H H 36 8.830 8.830 7.810 1.020 18531
15570 1 60 . 1 1 37 37 ASN N N 37 115.200 115.200 117.115 -1.915 18531
15571 1 60 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.873 -0.263 18531
15572 1 60 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.572 1.128 18531
15573 1 60 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.588 1.412 18531
15574 1 60 . 1 1 37 37 ASN H H 37 7.390 7.390 7.551 -0.161 18531
15575 1 60 . 1 1 38 38 GLY N N 38 108.200 108.200 107.423 0.777 18531
15576 1 60 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.194 0.206 18531
15577 1 60 . 1 1 38 38 GLY H H 38 7.800 7.800 7.855 -0.055 18531
15578 1 60 . 1 1 39 39 VAL N N 39 120.800 120.800 119.771 1.029 18531
15579 1 60 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.189 -0.049 18531
15580 1 60 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.844 -0.144 18531
15581 1 60 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.129 -0.829 18531
15582 1 60 . 1 1 39 39 VAL H H 39 8.120 8.120 7.922 0.198 18531
15583 1 60 . 1 1 40 40 ASP N N 40 128.000 128.000 126.152 1.848 18531
15584 1 60 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.819 0.071 18531
15585 1 60 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.072 -1.272 18531
15586 1 60 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.947 -0.847 18531
15587 1 60 . 1 1 40 40 ASP H H 40 8.770 8.770 8.466 0.304 18531
15588 1 60 . 1 1 41 41 GLY N N 41 107.100 107.100 111.445 -4.345 18531
15589 1 60 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.258 0.142 18531
15590 1 60 . 1 1 41 41 GLY H H 41 7.910 7.910 8.031 -0.121 18531
15591 1 60 . 1 1 42 42 VAL N N 42 120.300 120.300 120.870 -0.570 18531
15592 1 60 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.275 0.105 18531
15593 1 60 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.147 -0.047 18531
15594 1 60 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.334 0.066 18531
15595 1 60 . 1 1 42 42 VAL H H 42 8.250 8.250 8.457 -0.207 18531
15596 1 60 . 1 1 43 43 TRP N N 43 130.700 130.700 124.635 6.065 18531
15597 1 60 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.376 -0.016 18531
15598 1 60 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.508 2.092 18531
15599 1 60 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.799 -0.599 18531
15600 1 60 . 1 1 43 43 TRP H H 43 9.360 9.360 8.485 0.875 18531
15601 1 60 . 1 1 44 44 THR N N 44 114.500 114.500 119.766 -5.266 18531
15602 1 60 . 1 1 44 44 THR HA H 44 4.830 4.830 4.592 0.238 18531
15603 1 60 . 1 1 44 44 THR CA C 44 60.300 60.300 60.803 -0.503 18531
15604 1 60 . 1 1 44 44 THR CB C 44 72.100 72.100 68.493 3.607 18531
15605 1 60 . 1 1 44 44 THR H H 44 9.400 9.400 8.392 1.008 18531
15606 1 60 . 1 1 45 45 TYR N N 45 120.100 120.100 127.112 -7.012 18531
15607 1 60 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.068 -0.098 18531
15608 1 60 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.987 2.013 18531
15609 1 60 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.759 0.841 18531
15610 1 60 . 1 1 45 45 TYR H H 45 8.580 8.580 8.143 0.437 18531
15611 1 60 . 1 1 46 46 ASP N N 46 128.300 128.300 124.444 3.856 18531
15612 1 60 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.281 0.299 18531
15613 1 60 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.884 0.016 18531
15614 1 60 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.837 -0.737 18531
15615 1 60 . 1 1 46 46 ASP H H 46 7.580 7.580 7.847 -0.267 18531
15616 1 60 . 1 1 47 47 ASP N N 47 124.800 124.800 125.714 -0.914 18531
15617 1 60 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.656 -0.546 18531
15618 1 60 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.755 1.744 18531
15619 1 60 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.862 1.238 18531
15620 1 60 . 1 1 47 47 ASP H H 47 8.590 8.590 8.308 0.282 18531
15621 1 60 . 1 1 48 48 ALA N N 48 119.700 119.700 121.688 -1.988 18531
15622 1 60 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.377 -0.287 18531
15623 1 60 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.481 1.519 18531
15624 1 60 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.923 -1.623 18531
15625 1 60 . 1 1 48 48 ALA H H 48 8.340 8.340 7.951 0.389 18531
15626 1 60 . 1 1 49 49 THR N N 49 103.200 103.200 113.906 -10.706 18531
15627 1 60 . 1 1 49 49 THR HA H 49 4.390 4.390 4.435 -0.045 18531
15628 1 60 . 1 1 49 49 THR CA C 49 60.200 60.200 60.684 -0.484 18531
15629 1 60 . 1 1 49 49 THR CB C 49 70.000 70.000 68.766 1.234 18531
15630 1 60 . 1 1 49 49 THR H H 49 7.000 7.000 7.803 -0.803 18531
15631 1 60 . 1 1 50 50 LYS N N 50 123.100 123.100 117.340 5.760 18531
15632 1 60 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.146 0.044 18531
15633 1 60 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.966 -0.366 18531
15634 1 60 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.596 -0.996 18531
15635 1 60 . 1 1 50 50 LYS H H 50 7.860 7.860 7.761 0.099 18531
15636 1 60 . 1 1 51 51 THR N N 51 111.200 111.200 115.947 -4.747 18531
15637 1 60 . 1 1 51 51 THR HA H 51 5.490 5.490 4.661 0.829 18531
15638 1 60 . 1 1 51 51 THR CA C 51 62.300 62.300 62.767 -0.467 18531
15639 1 60 . 1 1 51 51 THR CB C 51 72.100 72.100 69.818 2.282 18531
15640 1 60 . 1 1 51 51 THR H H 51 7.390 7.390 7.624 -0.234 18531
15641 1 60 . 1 1 52 52 PHE N N 52 131.000 131.000 129.469 1.531 18531
15642 1 60 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.080 0.550 18531
15643 1 60 . 1 1 52 52 PHE CA C 52 57.300 57.300 57.039 0.261 18531
15644 1 60 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.080 2.520 18531
15645 1 60 . 1 1 52 52 PHE H H 52 10.390 10.390 8.602 1.788 18531
15646 1 60 . 1 1 53 53 THR N N 53 117.400 117.400 120.738 -3.338 18531
15647 1 60 . 1 1 53 53 THR HA H 53 5.270 5.270 5.142 0.128 18531
15648 1 60 . 1 1 53 53 THR CA C 53 61.200 61.200 61.167 0.033 18531
15649 1 60 . 1 1 53 53 THR CB C 53 71.000 71.000 71.001 -0.001 18531
15650 1 60 . 1 1 53 53 THR H H 53 9.180 9.180 9.004 0.176 18531
15651 1 60 . 1 1 54 54 VAL N N 54 123.000 123.000 126.050 -3.050 18531
15652 1 60 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.504 -0.044 18531
15653 1 60 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.638 -2.538 18531
15654 1 60 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.420 -1.120 18531
15655 1 60 . 1 1 54 54 VAL H H 54 8.280 8.280 9.134 -0.854 18531
15656 1 60 . 1 1 55 55 THR N N 55 123.900 123.900 124.682 -0.782 18531
15657 1 60 . 1 1 55 55 THR HA H 55 4.700 4.700 4.489 0.211 18531
15658 1 60 . 1 1 55 55 THR CA C 55 61.200 61.200 62.239 -1.040 18531
15659 1 60 . 1 1 55 55 THR CB C 55 70.700 70.700 69.393 1.307 18531
15660 1 60 . 1 1 55 55 THR H H 55 8.320 8.320 8.145 0.175 18531
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 53 2.704 0.006 2.730 18531
2 1 1 "Average Difference" HA 58 0.313 0.020 0.315 18531
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18531
4 1 1 "Average Difference" CA 54 0.932 -0.127 0.932 18531
5 1 1 "Average Difference" CB 50 1.279 0.132 1.285 18531
6 1 1 "Average Difference" HN 54 0.566 -0.193 0.537 18531
7 1 2 "Average Difference" N 53 2.772 0.311 2.781 18531
8 1 2 "Average Difference" HA 58 0.304 0.006 0.307 18531
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18531
10 1 2 "Average Difference" CA 54 0.972 -0.061 0.980 18531
11 1 2 "Average Difference" CB 50 1.224 -0.009 1.236 18531
12 1 2 "Average Difference" HN 54 0.520 -0.165 0.498 18531
13 1 3 "Average Difference" N 53 2.471 -0.005 2.494 18531
14 1 3 "Average Difference" HA 58 0.299 0.004 0.302 18531
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18531
16 1 3 "Average Difference" CA 54 0.970 -0.207 0.956 18531
17 1 3 "Average Difference" CB 50 1.221 0.125 1.227 18531
18 1 3 "Average Difference" HN 54 0.543 -0.191 0.513 18531
19 1 4 "Average Difference" N 53 2.668 -0.006 2.693 18531
20 1 4 "Average Difference" HA 58 0.355 0.002 0.358 18531
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18531
22 1 4 "Average Difference" CA 54 1.019 -0.107 1.023 18531
23 1 4 "Average Difference" CB 50 1.185 0.081 1.194 18531
24 1 4 "Average Difference" HN 54 0.582 -0.171 0.562 18531
25 1 5 "Average Difference" N 53 2.639 -0.248 2.652 18531
26 1 5 "Average Difference" HA 58 0.386 -0.007 0.389 18531
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18531
28 1 5 "Average Difference" CA 54 1.003 -0.153 1.001 18531
29 1 5 "Average Difference" CB 50 1.342 0.027 1.356 18531
30 1 5 "Average Difference" HN 54 0.645 -0.140 0.635 18531
31 1 6 "Average Difference" N 53 2.689 -0.143 2.710 18531
32 1 6 "Average Difference" HA 58 0.359 -0.038 0.360 18531
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18531
34 1 6 "Average Difference" CA 54 0.933 -0.072 0.939 18531
35 1 6 "Average Difference" CB 50 1.312 -0.004 1.326 18531
36 1 6 "Average Difference" HN 54 0.584 -0.157 0.567 18531
37 1 7 "Average Difference" N 53 2.458 0.124 2.478 18531
38 1 7 "Average Difference" HA 58 0.339 0.027 0.341 18531
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18531
40 1 7 "Average Difference" CA 54 0.997 -0.138 0.997 18531
41 1 7 "Average Difference" CB 50 1.273 0.094 1.282 18531
42 1 7 "Average Difference" HN 54 0.548 -0.174 0.525 18531
43 1 8 "Average Difference" N 53 2.598 0.119 2.621 18531
44 1 8 "Average Difference" HA 58 0.322 0.012 0.324 18531
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18531
46 1 8 "Average Difference" CA 54 1.008 -0.093 1.013 18531
47 1 8 "Average Difference" CB 50 1.450 0.063 1.464 18531
48 1 8 "Average Difference" HN 54 0.609 -0.176 0.588 18531
49 1 9 "Average Difference" N 53 3.294 0.526 3.282 18531
50 1 9 "Average Difference" HA 58 0.341 0.002 0.344 18531
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18531
52 1 9 "Average Difference" CA 54 0.963 -0.072 0.969 18531
53 1 9 "Average Difference" CB 50 1.403 0.010 1.418 18531
54 1 9 "Average Difference" HN 54 0.560 -0.200 0.528 18531
55 1 10 "Average Difference" N 53 2.434 -0.324 2.435 18531
56 1 10 "Average Difference" HA 58 0.320 0.012 0.323 18531
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18531
58 1 10 "Average Difference" CA 54 0.889 -0.081 0.893 18531
59 1 10 "Average Difference" CB 50 1.182 0.060 1.192 18531
60 1 10 "Average Difference" HN 54 0.578 -0.172 0.557 18531
61 1 11 "Average Difference" N 53 2.790 0.182 2.811 18531
62 1 11 "Average Difference" HA 58 0.389 0.017 0.392 18531
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18531
64 1 11 "Average Difference" CA 54 1.202 -0.123 1.207 18531
65 1 11 "Average Difference" CB 50 1.370 0.153 1.375 18531
66 1 11 "Average Difference" HN 54 0.635 -0.103 0.632 18531
67 1 12 "Average Difference" N 53 2.516 0.045 2.539 18531
68 1 12 "Average Difference" HA 58 0.316 0.054 0.314 18531
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18531
70 1 12 "Average Difference" CA 54 0.895 -0.068 0.900 18531
71 1 12 "Average Difference" CB 50 1.157 0.101 1.164 18531
72 1 12 "Average Difference" HN 54 0.605 -0.202 0.576 18531
73 1 13 "Average Difference" N 53 2.722 0.340 2.726 18531
74 1 13 "Average Difference" HA 58 0.345 0.041 0.346 18531
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18531
76 1 13 "Average Difference" CA 54 1.018 -0.131 1.019 18531
77 1 13 "Average Difference" CB 50 1.359 0.070 1.370 18531
78 1 13 "Average Difference" HN 54 0.646 -0.179 0.626 18531
79 1 14 "Average Difference" N 53 2.784 0.348 2.789 18531
80 1 14 "Average Difference" HA 58 0.327 0.036 0.328 18531
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18531
82 1 14 "Average Difference" CA 54 1.004 -0.031 1.013 18531
83 1 14 "Average Difference" CB 50 1.250 -0.019 1.262 18531
84 1 14 "Average Difference" HN 54 0.541 -0.150 0.525 18531
85 1 15 "Average Difference" N 53 2.330 -0.153 2.347 18531
86 1 15 "Average Difference" HA 58 0.360 -0.016 0.363 18531
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18531
88 1 15 "Average Difference" CA 54 0.976 -0.101 0.980 18531
89 1 15 "Average Difference" CB 50 1.284 0.029 1.297 18531
90 1 15 "Average Difference" HN 54 0.635 -0.187 0.612 18531
91 1 16 "Average Difference" N 53 2.564 -0.281 2.573 18531
92 1 16 "Average Difference" HA 58 0.331 0.021 0.334 18531
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18531
94 1 16 "Average Difference" CA 54 0.917 -0.038 0.924 18531
95 1 16 "Average Difference" CB 50 1.325 0.178 1.326 18531
96 1 16 "Average Difference" HN 54 0.569 -0.197 0.539 18531
97 1 17 "Average Difference" N 53 2.537 -0.148 2.557 18531
98 1 17 "Average Difference" HA 58 0.366 -0.033 0.368 18531
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18531
100 1 17 "Average Difference" CA 54 1.157 0.037 1.167 18531
101 1 17 "Average Difference" CB 50 1.303 -0.155 1.307 18531
102 1 17 "Average Difference" HN 54 0.600 -0.121 0.593 18531
103 1 18 "Average Difference" N 53 2.719 -0.109 2.743 18531
104 1 18 "Average Difference" HA 58 0.295 0.047 0.294 18531
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18531
106 1 18 "Average Difference" CA 54 0.972 -0.161 0.968 18531
107 1 18 "Average Difference" CB 50 1.283 0.049 1.295 18531
108 1 18 "Average Difference" HN 54 0.583 -0.238 0.537 18531
109 1 19 "Average Difference" N 53 2.741 0.248 2.756 18531
110 1 19 "Average Difference" HA 58 0.321 0.028 0.322 18531
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18531
112 1 19 "Average Difference" CA 54 0.913 -0.155 0.908 18531
113 1 19 "Average Difference" CB 50 1.408 -0.032 1.422 18531
114 1 19 "Average Difference" HN 54 0.541 -0.152 0.524 18531
115 1 20 "Average Difference" N 53 2.892 -0.073 2.919 18531
116 1 20 "Average Difference" HA 58 0.326 -0.017 0.328 18531
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18531
118 1 20 "Average Difference" CA 54 0.986 -0.053 0.994 18531
119 1 20 "Average Difference" CB 50 1.323 -0.022 1.337 18531
120 1 20 "Average Difference" HN 54 0.532 -0.178 0.506 18531
121 1 21 "Average Difference" N 53 2.317 0.102 2.337 18531
122 1 21 "Average Difference" HA 58 0.379 -0.053 0.378 18531
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 18531
124 1 21 "Average Difference" CA 54 1.037 0.067 1.044 18531
125 1 21 "Average Difference" CB 50 1.101 -0.107 1.107 18531
126 1 21 "Average Difference" HN 54 0.551 -0.214 0.513 18531
127 1 22 "Average Difference" N 53 2.053 -0.002 2.072 18531
128 1 22 "Average Difference" HA 58 0.348 -0.041 0.349 18531
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 18531
130 1 22 "Average Difference" CA 54 0.854 0.043 0.861 18531
131 1 22 "Average Difference" CB 50 1.220 0.085 1.229 18531
132 1 22 "Average Difference" HN 54 0.497 -0.154 0.477 18531
133 1 23 "Average Difference" N 53 2.471 0.060 2.494 18531
134 1 23 "Average Difference" HA 58 0.375 -0.055 0.374 18531
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 18531
136 1 23 "Average Difference" CA 54 0.940 -0.004 0.949 18531
137 1 23 "Average Difference" CB 50 1.030 0.069 1.038 18531
138 1 23 "Average Difference" HN 54 0.558 -0.206 0.523 18531
139 1 24 "Average Difference" N 53 2.179 0.325 2.175 18531
140 1 24 "Average Difference" HA 58 0.371 -0.060 0.369 18531
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 18531
142 1 24 "Average Difference" CA 54 1.016 0.051 1.024 18531
143 1 24 "Average Difference" CB 50 1.032 -0.064 1.041 18531
144 1 24 "Average Difference" HN 54 0.548 -0.206 0.512 18531
145 1 25 "Average Difference" N 53 2.248 0.349 2.242 18531
146 1 25 "Average Difference" HA 58 0.382 -0.044 0.382 18531
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 18531
148 1 25 "Average Difference" CA 54 0.952 0.005 0.961 18531
149 1 25 "Average Difference" CB 50 1.135 -0.027 1.146 18531
150 1 25 "Average Difference" HN 54 0.527 -0.243 0.472 18531
151 1 26 "Average Difference" N 53 2.453 0.577 2.407 18531
152 1 26 "Average Difference" HA 58 0.399 -0.047 0.399 18531
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 18531
154 1 26 "Average Difference" CA 54 0.956 0.025 0.965 18531
155 1 26 "Average Difference" CB 50 1.289 -0.033 1.301 18531
156 1 26 "Average Difference" HN 54 0.586 -0.187 0.560 18531
157 1 27 "Average Difference" N 53 2.111 -0.021 2.131 18531
158 1 27 "Average Difference" HA 58 0.352 -0.038 0.354 18531
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 18531
160 1 27 "Average Difference" CA 54 0.903 0.041 0.911 18531
161 1 27 "Average Difference" CB 50 1.107 0.022 1.118 18531
162 1 27 "Average Difference" HN 54 0.550 -0.163 0.530 18531
163 1 28 "Average Difference" N 53 2.366 0.114 2.386 18531
164 1 28 "Average Difference" HA 58 0.344 -0.067 0.341 18531
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 18531
166 1 28 "Average Difference" CA 54 0.941 0.118 0.942 18531
167 1 28 "Average Difference" CB 50 1.081 0.023 1.092 18531
168 1 28 "Average Difference" HN 54 0.555 -0.205 0.521 18531
169 1 29 "Average Difference" N 53 2.563 0.034 2.587 18531
170 1 29 "Average Difference" HA 58 0.293 0.010 0.295 18531
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 18531
172 1 29 "Average Difference" CA 54 1.064 0.006 1.074 18531
173 1 29 "Average Difference" CB 50 1.065 -0.157 1.064 18531
174 1 29 "Average Difference" HN 54 0.547 -0.196 0.516 18531
175 1 30 "Average Difference" N 53 2.432 0.044 2.455 18531
176 1 30 "Average Difference" HA 58 0.363 -0.031 0.365 18531
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 18531
178 1 30 "Average Difference" CA 54 1.056 0.001 1.066 18531
179 1 30 "Average Difference" CB 50 1.031 0.029 1.042 18531
180 1 30 "Average Difference" HN 54 0.646 -0.204 0.619 18531
181 1 31 "Average Difference" N 53 2.147 -0.064 2.167 18531
182 1 31 "Average Difference" HA 58 0.375 -0.051 0.374 18531
183 1 31 "Average Difference" C 0 0.000 0.000 0.000 18531
184 1 31 "Average Difference" CA 54 0.802 0.050 0.808 18531
185 1 31 "Average Difference" CB 50 1.104 -0.022 1.115 18531
186 1 31 "Average Difference" HN 54 0.606 -0.206 0.575 18531
187 1 32 "Average Difference" N 53 2.085 0.101 2.102 18531
188 1 32 "Average Difference" HA 58 0.365 -0.066 0.362 18531
189 1 32 "Average Difference" C 0 0.000 0.000 0.000 18531
190 1 32 "Average Difference" CA 54 0.977 -0.015 0.987 18531
191 1 32 "Average Difference" CB 50 1.035 0.062 1.044 18531
192 1 32 "Average Difference" HN 54 0.550 -0.221 0.509 18531
193 1 33 "Average Difference" N 53 2.824 0.273 2.838 18531
194 1 33 "Average Difference" HA 58 0.364 -0.045 0.364 18531
195 1 33 "Average Difference" C 0 0.000 0.000 0.000 18531
196 1 33 "Average Difference" CA 54 0.898 -0.009 0.906 18531
197 1 33 "Average Difference" CB 50 1.048 -0.001 1.059 18531
198 1 33 "Average Difference" HN 54 0.565 -0.195 0.535 18531
199 1 34 "Average Difference" N 53 2.580 0.170 2.599 18531
200 1 34 "Average Difference" HA 58 0.355 -0.032 0.356 18531
201 1 34 "Average Difference" C 0 0.000 0.000 0.000 18531
202 1 34 "Average Difference" CA 54 1.066 0.035 1.075 18531
203 1 34 "Average Difference" CB 50 1.081 0.021 1.091 18531
204 1 34 "Average Difference" HN 54 0.554 -0.157 0.536 18531
205 1 35 "Average Difference" N 53 2.342 0.218 2.354 18531
206 1 35 "Average Difference" HA 58 0.360 -0.078 0.355 18531
207 1 35 "Average Difference" C 0 0.000 0.000 0.000 18531
208 1 35 "Average Difference" CA 54 0.983 0.036 0.992 18531
209 1 35 "Average Difference" CB 50 0.996 -0.016 1.006 18531
210 1 35 "Average Difference" HN 54 0.545 -0.204 0.510 18531
211 1 36 "Average Difference" N 53 2.183 -0.012 2.204 18531
212 1 36 "Average Difference" HA 58 0.391 -0.066 0.389 18531
213 1 36 "Average Difference" C 0 0.000 0.000 0.000 18531
214 1 36 "Average Difference" CA 54 0.985 0.076 0.991 18531
215 1 36 "Average Difference" CB 50 1.125 -0.018 1.136 18531
216 1 36 "Average Difference" HN 54 0.599 -0.279 0.536 18531
217 1 37 "Average Difference" N 53 2.296 0.261 2.303 18531
218 1 37 "Average Difference" HA 58 0.389 -0.043 0.390 18531
219 1 37 "Average Difference" C 0 0.000 0.000 0.000 18531
220 1 37 "Average Difference" CA 54 0.908 0.051 0.915 18531
221 1 37 "Average Difference" CB 50 1.236 -0.005 1.248 18531
222 1 37 "Average Difference" HN 54 0.542 -0.199 0.509 18531
223 1 38 "Average Difference" N 53 2.121 -0.113 2.138 18531
224 1 38 "Average Difference" HA 58 0.353 -0.072 0.349 18531
225 1 38 "Average Difference" C 0 0.000 0.000 0.000 18531
226 1 38 "Average Difference" CA 54 0.913 0.033 0.921 18531
227 1 38 "Average Difference" CB 50 1.073 0.052 1.083 18531
228 1 38 "Average Difference" HN 54 0.555 -0.212 0.518 18531
229 1 39 "Average Difference" N 53 2.461 0.620 2.405 18531
230 1 39 "Average Difference" HA 58 0.320 -0.023 0.322 18531
231 1 39 "Average Difference" C 0 0.000 0.000 0.000 18531
232 1 39 "Average Difference" CA 54 1.048 0.075 1.055 18531
233 1 39 "Average Difference" CB 50 1.175 -0.213 1.167 18531
234 1 39 "Average Difference" HN 54 0.472 -0.129 0.458 18531
235 1 40 "Average Difference" N 53 2.414 0.210 2.428 18531
236 1 40 "Average Difference" HA 58 0.333 -0.049 0.332 18531
237 1 40 "Average Difference" C 0 0.000 0.000 0.000 18531
238 1 40 "Average Difference" CA 54 0.959 0.078 0.965 18531
239 1 40 "Average Difference" CB 50 1.085 0.081 1.093 18531
240 1 40 "Average Difference" HN 54 0.569 -0.204 0.536 18531
241 1 41 "Average Difference" N 53 3.270 0.372 3.279 18531
242 1 41 "Average Difference" HA 58 0.343 -0.003 0.346 18531
243 1 41 "Average Difference" C 0 0.000 0.000 0.000 18531
244 1 41 "Average Difference" CA 54 1.057 0.007 1.067 18531
245 1 41 "Average Difference" CB 50 1.159 -0.081 1.168 18531
246 1 41 "Average Difference" HN 54 0.523 -0.082 0.521 18531
247 1 42 "Average Difference" N 53 3.504 0.390 3.515 18531
248 1 42 "Average Difference" HA 58 0.342 0.009 0.345 18531
249 1 42 "Average Difference" C 0 0.000 0.000 0.000 18531
250 1 42 "Average Difference" CA 54 1.032 -0.066 1.039 18531
251 1 42 "Average Difference" CB 50 1.144 0.069 1.154 18531
252 1 42 "Average Difference" HN 54 0.592 -0.175 0.571 18531
253 1 43 "Average Difference" N 53 3.174 0.219 3.197 18531
254 1 43 "Average Difference" HA 58 0.369 -0.016 0.372 18531
255 1 43 "Average Difference" C 0 0.000 0.000 0.000 18531
256 1 43 "Average Difference" CA 54 1.112 0.006 1.122 18531
257 1 43 "Average Difference" CB 50 1.181 -0.032 1.192 18531
258 1 43 "Average Difference" HN 54 0.580 -0.134 0.570 18531
259 1 44 "Average Difference" N 53 3.186 0.126 3.214 18531
260 1 44 "Average Difference" HA 58 0.358 -0.018 0.361 18531
261 1 44 "Average Difference" C 0 0.000 0.000 0.000 18531
262 1 44 "Average Difference" CA 54 1.170 -0.025 1.180 18531
263 1 44 "Average Difference" CB 50 1.052 0.088 1.059 18531
264 1 44 "Average Difference" HN 54 0.601 -0.158 0.585 18531
265 1 45 "Average Difference" N 53 3.277 0.215 3.302 18531
266 1 45 "Average Difference" HA 58 0.385 -0.034 0.387 18531
267 1 45 "Average Difference" C 0 0.000 0.000 0.000 18531
268 1 45 "Average Difference" CA 54 1.112 0.019 1.122 18531
269 1 45 "Average Difference" CB 50 1.012 0.033 1.022 18531
270 1 45 "Average Difference" HN 54 0.581 -0.146 0.567 18531
271 1 46 "Average Difference" N 53 3.141 0.036 3.170 18531
272 1 46 "Average Difference" HA 58 0.360 -0.032 0.362 18531
273 1 46 "Average Difference" C 0 0.000 0.000 0.000 18531
274 1 46 "Average Difference" CA 54 1.155 0.083 1.163 18531
275 1 46 "Average Difference" CB 50 1.113 0.083 1.121 18531
276 1 46 "Average Difference" HN 54 0.598 -0.179 0.576 18531
277 1 47 "Average Difference" N 53 3.317 0.274 3.337 18531
278 1 47 "Average Difference" HA 58 0.327 -0.026 0.329 18531
279 1 47 "Average Difference" C 0 0.000 0.000 0.000 18531
280 1 47 "Average Difference" CA 54 1.085 -0.125 1.088 18531
281 1 47 "Average Difference" CB 50 1.050 -0.161 1.048 18531
282 1 47 "Average Difference" HN 54 0.585 -0.217 0.549 18531
283 1 48 "Average Difference" N 53 3.228 0.348 3.240 18531
284 1 48 "Average Difference" HA 58 0.361 0.009 0.364 18531
285 1 48 "Average Difference" C 0 0.000 0.000 0.000 18531
286 1 48 "Average Difference" CA 54 1.200 -0.074 1.209 18531
287 1 48 "Average Difference" CB 50 1.153 -0.077 1.162 18531
288 1 48 "Average Difference" HN 54 0.602 -0.160 0.586 18531
289 1 49 "Average Difference" N 53 2.607 -0.229 2.622 18531
290 1 49 "Average Difference" HA 58 0.398 -0.083 0.392 18531
291 1 49 "Average Difference" C 0 0.000 0.000 0.000 18531
292 1 49 "Average Difference" CA 54 1.013 0.128 1.014 18531
293 1 49 "Average Difference" CB 50 1.207 0.175 1.206 18531
294 1 49 "Average Difference" HN 54 0.554 -0.132 0.543 18531
295 1 50 "Average Difference" N 53 3.507 0.476 3.508 18531
296 1 50 "Average Difference" HA 58 0.397 -0.024 0.399 18531
297 1 50 "Average Difference" C 0 0.000 0.000 0.000 18531
298 1 50 "Average Difference" CA 54 1.143 0.027 1.153 18531
299 1 50 "Average Difference" CB 50 1.206 -0.263 1.189 18531
300 1 50 "Average Difference" HN 54 0.563 -0.139 0.551 18531
301 1 51 "Average Difference" N 53 3.135 0.034 3.165 18531
302 1 51 "Average Difference" HA 58 0.370 -0.032 0.371 18531
303 1 51 "Average Difference" C 0 0.000 0.000 0.000 18531
304 1 51 "Average Difference" CA 54 1.102 -0.149 1.102 18531
305 1 51 "Average Difference" CB 50 1.048 -0.048 1.057 18531
306 1 51 "Average Difference" HN 54 0.565 -0.172 0.543 18531
307 1 52 "Average Difference" N 53 3.192 0.554 3.173 18531
308 1 52 "Average Difference" HA 58 0.337 0.006 0.340 18531
309 1 52 "Average Difference" C 0 0.000 0.000 0.000 18531
310 1 52 "Average Difference" CA 54 1.103 -0.086 1.110 18531
311 1 52 "Average Difference" CB 50 1.161 -0.122 1.166 18531
312 1 52 "Average Difference" HN 54 0.516 -0.151 0.497 18531
313 1 53 "Average Difference" N 53 2.668 0.047 2.693 18531
314 1 53 "Average Difference" HA 58 0.362 -0.036 0.363 18531
315 1 53 "Average Difference" C 0 0.000 0.000 0.000 18531
316 1 53 "Average Difference" CA 54 0.996 0.072 1.003 18531
317 1 53 "Average Difference" CB 50 0.908 -0.038 0.916 18531
318 1 53 "Average Difference" HN 54 0.579 -0.172 0.558 18531
319 1 54 "Average Difference" N 53 2.917 0.050 2.944 18531
320 1 54 "Average Difference" HA 58 0.367 -0.047 0.367 18531
321 1 54 "Average Difference" C 0 0.000 0.000 0.000 18531
322 1 54 "Average Difference" CA 54 0.984 0.025 0.993 18531
323 1 54 "Average Difference" CB 50 1.049 -0.099 1.055 18531
324 1 54 "Average Difference" HN 54 0.585 -0.180 0.561 18531
325 1 55 "Average Difference" N 53 3.238 0.173 3.264 18531
326 1 55 "Average Difference" HA 58 0.365 -0.004 0.368 18531
327 1 55 "Average Difference" C 0 0.000 0.000 0.000 18531
328 1 55 "Average Difference" CA 54 1.147 -0.088 1.154 18531
329 1 55 "Average Difference" CB 50 1.140 0.008 1.152 18531
330 1 55 "Average Difference" HN 54 0.556 -0.120 0.548 18531
331 1 56 "Average Difference" N 53 3.448 0.487 3.446 18531
332 1 56 "Average Difference" HA 58 0.340 -0.038 0.341 18531
333 1 56 "Average Difference" C 0 0.000 0.000 0.000 18531
334 1 56 "Average Difference" CA 54 1.083 -0.011 1.093 18531
335 1 56 "Average Difference" CB 50 1.076 -0.216 1.065 18531
336 1 56 "Average Difference" HN 54 0.581 -0.082 0.580 18531
337 1 57 "Average Difference" N 53 3.278 0.153 3.306 18531
338 1 57 "Average Difference" HA 58 0.355 0.024 0.357 18531
339 1 57 "Average Difference" C 0 0.000 0.000 0.000 18531
340 1 57 "Average Difference" CA 54 1.137 -0.101 1.144 18531
341 1 57 "Average Difference" CB 50 1.149 0.048 1.160 18531
342 1 57 "Average Difference" HN 54 0.580 -0.220 0.541 18531
343 1 58 "Average Difference" N 53 3.157 0.393 3.163 18531
344 1 58 "Average Difference" HA 58 0.340 -0.037 0.341 18531
345 1 58 "Average Difference" C 0 0.000 0.000 0.000 18531
346 1 58 "Average Difference" CA 54 1.066 0.010 1.076 18531
347 1 58 "Average Difference" CB 50 1.059 -0.095 1.066 18531
348 1 58 "Average Difference" HN 54 0.562 -0.139 0.550 18531
349 1 59 "Average Difference" N 53 3.139 -0.254 3.159 18531
350 1 59 "Average Difference" HA 58 0.365 -0.093 0.356 18531
351 1 59 "Average Difference" C 0 0.000 0.000 0.000 18531
352 1 59 "Average Difference" CA 54 1.145 0.044 1.155 18531
353 1 59 "Average Difference" CB 50 1.064 -0.017 1.074 18531
354 1 59 "Average Difference" HN 54 0.614 -0.198 0.586 18531
355 1 60 "Average Difference" N 53 3.085 0.213 3.107 18531
356 1 60 "Average Difference" HA 58 0.331 0.021 0.333 18531
357 1 60 "Average Difference" C 0 0.000 0.000 0.000 18531
358 1 60 "Average Difference" CA 54 1.036 -0.040 1.045 18531
359 1 60 "Average Difference" CB 50 1.207 -0.104 1.215 18531
360 1 60 "Average Difference" HN 54 0.598 -0.206 0.567 18531
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 18531
_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 GLN HA H 2 5.050 5.050 4.728 0.322 18531
2 1 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.120 0.480 18531
3 1 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.717 -0.017 18531
4 1 . 1 1 2 2 GLN H H 2 8.410 8.410 8.101 0.309 18531
5 1 . 1 1 3 3 TYR N N 3 124.000 124.000 122.848 1.152 18531
6 1 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.048 0.312 18531
7 1 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.650 0.450 18531
8 1 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.585 2.015 18531
9 1 . 1 1 3 3 TYR H H 3 9.070 9.070 8.677 0.393 18531
10 1 . 1 1 4 4 LYS N N 4 122.500 122.500 121.388 1.112 18531
11 1 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.013 0.207 18531
12 1 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.671 0.329 18531
13 1 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.966 0.034 18531
14 1 . 1 1 4 4 LYS H H 4 9.100 9.100 8.773 0.327 18531
15 1 . 1 1 5 5 LEU N N 5 126.400 126.400 126.791 -0.392 18531
16 1 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.998 -0.028 18531
17 1 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.596 -0.796 18531
18 1 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.958 -2.358 18531
19 1 . 1 1 5 5 LEU H H 5 8.620 8.620 8.527 0.093 18531
20 1 . 1 1 6 6 VAL N N 6 127.000 127.000 126.727 0.273 18531
21 1 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.429 -0.269 18531
22 1 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.373 0.927 18531
23 1 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.400 -0.700 18531
24 1 . 1 1 6 6 VAL H H 6 9.190 9.190 8.748 0.442 18531
25 1 . 1 1 7 7 ILE N N 7 125.400 125.400 127.626 -2.226 18531
26 1 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.312 -0.222 18531
27 1 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.760 -0.060 18531
28 1 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.686 0.314 18531
29 1 . 1 1 7 7 ILE H H 7 8.800 8.800 8.444 0.356 18531
30 1 . 1 1 8 8 ASN N N 8 128.900 128.900 126.153 2.747 18531
31 1 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.976 0.304 18531
32 1 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.437 -1.637 18531
33 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.032 -0.932 18531
34 1 . 1 1 8 8 ASN H H 8 8.990 8.990 8.367 0.623 18531
35 1 . 1 1 9 9 GLY N N 9 110.200 110.200 107.969 2.231 18531
36 1 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.289 0.411 18531
37 1 . 1 1 9 9 GLY H H 9 7.920 7.920 7.952 -0.032 18531
38 1 . 1 1 10 10 LYS N N 10 120.700 120.700 120.550 0.150 18531
39 1 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.172 -0.112 18531
40 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.699 0.501 18531
41 1 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.773 0.127 18531
42 1 . 1 1 10 10 LYS H H 10 9.520 9.520 8.616 0.904 18531
43 1 . 1 1 11 11 THR N N 11 108.900 108.900 110.185 -1.285 18531
44 1 . 1 1 11 11 THR HA H 11 4.360 4.360 4.363 -0.003 18531
45 1 . 1 1 11 11 THR CA C 11 62.000 62.000 62.089 -0.089 18531
46 1 . 1 1 11 11 THR CB C 11 69.800 69.800 69.502 0.298 18531
47 1 . 1 1 11 11 THR H H 11 8.790 8.790 7.872 0.918 18531
48 1 . 1 1 12 12 LEU N N 12 125.700 125.700 123.983 1.717 18531
49 1 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.511 -0.071 18531
50 1 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.856 0.144 18531
51 1 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.515 -0.215 18531
52 1 . 1 1 12 12 LEU H H 12 7.580 7.580 7.811 -0.231 18531
53 1 . 1 1 13 13 LYS N N 13 123.500 123.500 124.672 -1.172 18531
54 1 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.051 0.069 18531
55 1 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.381 -1.481 18531
56 1 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.832 -0.032 18531
57 1 . 1 1 13 13 LYS H H 13 8.140 8.140 8.452 -0.312 18531
58 1 . 1 1 14 14 GLY N N 14 109.100 109.100 110.441 -1.341 18531
59 1 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.376 -0.176 18531
60 1 . 1 1 14 14 GLY H H 14 8.340 8.340 8.280 0.060 18531
61 1 . 1 1 15 15 GLU N N 15 118.200 118.200 119.205 -1.005 18531
62 1 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.168 0.432 18531
63 1 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.357 -0.857 18531
64 1 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.374 0.426 18531
65 1 . 1 1 15 15 GLU H H 15 8.390 8.390 8.447 -0.057 18531
66 1 . 1 1 16 16 THR N N 16 115.600 115.600 116.549 -0.949 18531
67 1 . 1 1 16 16 THR HA H 16 4.730 4.730 4.656 0.074 18531
68 1 . 1 1 16 16 THR CA C 16 60.600 60.600 61.198 -0.598 18531
69 1 . 1 1 16 16 THR CB C 16 69.500 69.500 69.775 -0.275 18531
70 1 . 1 1 16 16 THR H H 16 8.820 8.820 8.490 0.330 18531
71 1 . 1 1 17 17 THR N N 17 111.800 111.800 115.740 -3.940 18531
72 1 . 1 1 17 17 THR HA H 17 5.790 5.790 5.355 0.435 18531
73 1 . 1 1 17 17 THR CA C 17 59.800 59.800 60.486 -0.686 18531
74 1 . 1 1 17 17 THR CB C 17 73.100 73.100 71.635 1.465 18531
75 1 . 1 1 17 17 THR H H 17 8.140 8.140 8.299 -0.159 18531
76 1 . 1 1 18 18 THR N N 18 115.100 115.100 115.342 -0.242 18531
77 1 . 1 1 18 18 THR HA H 18 4.640 4.640 4.579 0.061 18531
78 1 . 1 1 18 18 THR CA C 18 61.900 61.900 61.310 0.590 18531
79 1 . 1 1 18 18 THR CB C 18 70.000 70.000 70.150 -0.150 18531
80 1 . 1 1 18 18 THR H H 18 8.930 8.930 8.651 0.279 18531
81 1 . 1 1 19 19 LYS N N 19 124.300 124.300 122.076 2.224 18531
82 1 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.910 0.420 18531
83 1 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.331 -0.331 18531
84 1 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.223 -0.423 18531
85 1 . 1 1 19 19 LYS H H 19 7.950 7.950 8.318 -0.368 18531
86 1 . 1 1 20 20 ALA N N 20 124.600 124.600 125.909 -1.309 18531
87 1 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.631 0.149 18531
88 1 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.460 -0.560 18531
89 1 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.465 2.335 18531
90 1 . 1 1 20 20 ALA H H 20 9.110 9.110 8.254 0.856 18531
91 1 . 1 1 21 21 VAL N N 21 115.300 115.300 117.458 -2.158 18531
92 1 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.993 0.117 18531
93 1 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.177 -0.877 18531
94 1 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.686 0.514 18531
95 1 . 1 1 21 21 VAL H H 21 8.480 8.480 8.484 -0.004 18531
96 1 . 1 1 22 22 ASP N N 22 115.200 115.200 114.963 0.237 18531
97 1 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.834 -0.124 18531
98 1 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.927 -0.527 18531
99 1 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.221 -0.021 18531
100 1 . 1 1 22 22 ASP H H 22 7.310 7.310 7.622 -0.312 18531
101 1 . 1 1 23 23 ALA N N 23 121.000 121.000 123.163 -2.163 18531
102 1 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.627 -0.287 18531
103 1 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.034 -0.134 18531
104 1 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.539 -1.039 18531
105 1 . 1 1 23 23 ALA H H 23 8.370 8.370 8.731 -0.361 18531
106 1 . 1 1 24 24 GLU N N 24 118.900 118.900 118.551 0.349 18531
107 1 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.917 -0.057 18531
108 1 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.304 0.396 18531
109 1 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.891 0.209 18531
110 1 . 1 1 24 24 GLU H H 24 8.410 8.410 8.504 -0.094 18531
111 1 . 1 1 25 25 THR N N 25 117.400 117.400 115.046 2.354 18531
112 1 . 1 1 25 25 THR HA H 25 3.670 3.670 4.051 -0.381 18531
113 1 . 1 1 25 25 THR CA C 25 66.800 66.800 65.341 1.460 18531
114 1 . 1 1 25 25 THR CB C 25 68.000 68.000 68.675 -0.675 18531
115 1 . 1 1 25 25 THR H H 25 8.380 8.380 8.043 0.337 18531
116 1 . 1 1 26 26 ALA N N 26 125.100 125.100 123.810 1.290 18531
117 1 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.769 -0.579 18531
118 1 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.549 0.451 18531
119 1 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.797 -0.497 18531
120 1 . 1 1 26 26 ALA H H 26 7.220 7.220 7.707 -0.487 18531
121 1 . 1 1 27 27 GLU N N 27 117.400 117.400 118.642 -1.242 18531
122 1 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.781 -1.191 18531
123 1 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.647 0.053 18531
124 1 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.360 -0.160 18531
125 1 . 1 1 27 27 GLU H H 27 8.370 8.370 8.184 0.186 18531
126 1 . 1 1 28 28 LYS N N 28 116.300 116.300 118.631 -2.331 18531
127 1 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.917 -0.247 18531
128 1 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.064 0.536 18531
129 1 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.097 0.103 18531
130 1 . 1 1 28 28 LYS H H 28 7.170 7.170 7.524 -0.354 18531
131 1 . 1 1 29 29 ALA N N 29 122.000 122.000 121.629 0.371 18531
132 1 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.067 0.023 18531
133 1 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.580 0.120 18531
134 1 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.167 -0.667 18531
135 1 . 1 1 29 29 ALA H H 29 7.200 7.200 7.319 -0.119 18531
136 1 . 1 1 30 30 PHE N N 30 119.600 119.600 117.624 1.976 18531
137 1 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.272 0.508 18531
138 1 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.223 -3.623 18531
139 1 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.499 -1.099 18531
140 1 . 1 1 30 30 PHE H H 30 8.610 8.610 7.990 0.620 18531
141 1 . 1 1 31 31 LYS N N 31 122.800 122.800 118.439 4.361 18531
142 1 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.874 0.216 18531
143 1 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.097 0.603 18531
144 1 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.775 -0.175 18531
145 1 . 1 1 31 31 LYS H H 31 9.030 9.030 8.086 0.944 18531
146 1 . 1 1 32 32 GLN N N 32 119.600 119.600 118.742 0.858 18531
147 1 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.083 -0.053 18531
148 1 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.916 -0.216 18531
149 1 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.663 -0.563 18531
150 1 . 1 1 32 32 GLN H H 32 7.510 7.510 7.902 -0.392 18531
151 1 . 1 1 33 33 TYR N N 33 120.400 120.400 120.426 -0.026 18531
152 1 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.282 -0.032 18531
153 1 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.945 0.855 18531
154 1 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.538 0.162 18531
155 1 . 1 1 33 33 TYR H H 33 8.080 8.080 7.867 0.213 18531
156 1 . 1 1 34 34 ALA N N 34 122.300 122.300 121.243 1.057 18531
157 1 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.965 -0.185 18531
158 1 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.324 0.776 18531
159 1 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.483 -0.783 18531
160 1 . 1 1 34 34 ALA H H 34 9.210 9.210 8.070 1.140 18531
161 1 . 1 1 35 35 ASN N N 35 117.700 117.700 117.065 0.635 18531
162 1 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.488 -0.028 18531
163 1 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.823 1.177 18531
164 1 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.121 0.879 18531
165 1 . 1 1 35 35 ASN H H 35 8.390 8.390 8.182 0.208 18531
166 1 . 1 1 36 36 ASP N N 36 121.100 121.100 120.059 1.041 18531
167 1 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.491 -0.131 18531
168 1 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.341 0.359 18531
169 1 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.679 -0.679 18531
170 1 . 1 1 36 36 ASP H H 36 8.830 8.830 8.276 0.554 18531
171 1 . 1 1 37 37 ASN N N 37 115.200 115.200 115.384 -0.184 18531
172 1 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.760 -0.150 18531
173 1 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.831 0.869 18531
174 1 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.119 0.881 18531
175 1 . 1 1 37 37 ASN H H 37 7.390 7.390 7.619 -0.229 18531
176 1 . 1 1 38 38 GLY N N 38 108.200 108.200 108.397 -0.197 18531
177 1 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.829 0.571 18531
178 1 . 1 1 38 38 GLY H H 38 7.800 7.800 7.969 -0.169 18531
179 1 . 1 1 39 39 VAL N N 39 120.800 120.800 120.354 0.446 18531
180 1 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.217 -0.077 18531
181 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.874 -0.174 18531
182 1 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.528 0.772 18531
183 1 . 1 1 39 39 VAL H H 39 8.120 8.120 8.016 0.104 18531
184 1 . 1 1 40 40 ASP N N 40 128.000 128.000 126.509 1.491 18531
185 1 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.926 -0.036 18531
186 1 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.176 -0.376 18531
187 1 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.138 -1.038 18531
188 1 . 1 1 40 40 ASP H H 40 8.770 8.770 8.326 0.444 18531
189 1 . 1 1 41 41 GLY N N 41 107.100 107.100 109.517 -2.417 18531
190 1 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.191 0.209 18531
191 1 . 1 1 41 41 GLY H H 41 7.910 7.910 8.193 -0.283 18531
192 1 . 1 1 42 42 VAL N N 42 120.300 120.300 121.163 -0.863 18531
193 1 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.415 -0.035 18531
194 1 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.415 0.685 18531
195 1 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.021 0.379 18531
196 1 . 1 1 42 42 VAL H H 42 8.250 8.250 8.049 0.201 18531
197 1 . 1 1 43 43 TRP N N 43 130.700 130.700 127.219 3.481 18531
198 1 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.305 0.055 18531
199 1 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.127 1.473 18531
200 1 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.113 -0.913 18531
201 1 . 1 1 43 43 TRP H H 43 9.360 9.360 8.582 0.778 18531
202 1 . 1 1 44 44 THR N N 44 114.500 114.500 116.725 -2.225 18531
203 1 . 1 1 44 44 THR HA H 44 4.830 4.830 4.727 0.103 18531
204 1 . 1 1 44 44 THR CA C 44 60.300 60.300 61.094 -0.794 18531
205 1 . 1 1 44 44 THR CB C 44 72.100 72.100 70.651 1.449 18531
206 1 . 1 1 44 44 THR H H 44 9.400 9.400 8.557 0.843 18531
207 1 . 1 1 45 45 TYR N N 45 120.100 120.100 124.232 -4.132 18531
208 1 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.772 0.198 18531
209 1 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.255 0.745 18531
210 1 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.633 0.967 18531
211 1 . 1 1 45 45 TYR H H 45 8.580 8.580 8.363 0.217 18531
212 1 . 1 1 46 46 ASP N N 46 128.300 128.300 125.425 2.875 18531
213 1 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.463 0.117 18531
214 1 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.914 -0.014 18531
215 1 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.136 -0.036 18531
216 1 . 1 1 46 46 ASP H H 46 7.580 7.580 8.156 -0.576 18531
217 1 . 1 1 47 47 ASP N N 47 124.800 124.800 124.900 -0.100 18531
218 1 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.452 -0.342 18531
219 1 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.092 0.407 18531
220 1 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.708 1.392 18531
221 1 . 1 1 47 47 ASP H H 47 8.590 8.590 8.333 0.257 18531
222 1 . 1 1 48 48 ALA N N 48 119.700 119.700 121.924 -2.224 18531
223 1 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.200 -0.110 18531
224 1 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.125 0.875 18531
225 1 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.280 -0.980 18531
226 1 . 1 1 48 48 ALA H H 48 8.340 8.340 7.987 0.353 18531
227 1 . 1 1 49 49 THR N N 49 103.200 103.200 110.617 -7.417 18531
228 1 . 1 1 49 49 THR HA H 49 4.390 4.390 4.460 -0.070 18531
229 1 . 1 1 49 49 THR CA C 49 60.200 60.200 60.708 -0.508 18531
230 1 . 1 1 49 49 THR CB C 49 70.000 70.000 69.468 0.532 18531
231 1 . 1 1 49 49 THR H H 49 7.000 7.000 7.841 -0.841 18531
232 1 . 1 1 50 50 LYS N N 50 123.100 123.100 119.151 3.949 18531
233 1 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.357 -0.167 18531
234 1 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.960 -0.360 18531
235 1 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.908 -2.308 18531
236 1 . 1 1 50 50 LYS H H 50 7.860 7.860 8.047 -0.187 18531
237 1 . 1 1 51 51 THR N N 51 111.200 111.200 115.578 -4.378 18531
238 1 . 1 1 51 51 THR HA H 51 5.490 5.490 4.942 0.548 18531
239 1 . 1 1 51 51 THR CA C 51 62.300 62.300 62.003 0.297 18531
240 1 . 1 1 51 51 THR CB C 51 72.100 72.100 70.759 1.341 18531
241 1 . 1 1 51 51 THR H H 51 7.390 7.390 7.642 -0.252 18531
242 1 . 1 1 52 52 PHE N N 52 131.000 131.000 126.950 4.050 18531
243 1 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.268 0.362 18531
244 1 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.181 1.119 18531
245 1 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.687 0.913 18531
246 1 . 1 1 52 52 PHE H H 52 10.390 10.390 9.020 1.370 18531
247 1 . 1 1 53 53 THR N N 53 117.400 117.400 118.142 -0.742 18531
248 1 . 1 1 53 53 THR HA H 53 5.270 5.270 4.844 0.426 18531
249 1 . 1 1 53 53 THR CA C 53 61.200 61.200 61.662 -0.462 18531
250 1 . 1 1 53 53 THR CB C 53 71.000 71.000 70.927 0.073 18531
251 1 . 1 1 53 53 THR H H 53 9.180 9.180 8.625 0.555 18531
252 1 . 1 1 54 54 VAL N N 54 123.000 123.000 126.291 -3.291 18531
253 1 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.249 0.211 18531
254 1 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.663 -1.563 18531
255 1 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.460 -1.160 18531
256 1 . 1 1 54 54 VAL H H 54 8.280 8.280 8.332 -0.052 18531
257 1 . 1 1 55 55 THR N N 55 123.900 123.900 123.519 0.381 18531
258 1 . 1 1 55 55 THR HA H 55 4.700 4.700 4.635 0.065 18531
259 1 . 1 1 55 55 THR CA C 55 61.200 61.200 60.803 0.397 18531
260 1 . 1 1 55 55 THR CB C 55 70.700 70.700 70.274 0.426 18531
261 1 . 1 1 55 55 THR H H 55 8.320 8.320 8.131 0.189 18531
stop_
save_