data_17843
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17843
_Entry.PDB_ID 2LHG
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 17843
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 THR N N 2 128.406 128.406 119.481 8.925 17843
2 1 1 . 1 1 2 2 THR HA H 2 4.338 4.338 3.918 0.420 17843
3 1 1 . 1 1 2 2 THR C C 2 176.278 176.278 175.649 0.629 17843
4 1 1 . 1 1 2 2 THR H H 2 7.964 7.964 8.154 -0.190 17843
5 1 1 . 1 1 3 3 TYR N N 3 124.128 124.128 114.791 9.337 17843
6 1 1 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.520 -0.318 17843
7 1 1 . 1 1 3 3 TYR C C 3 175.400 175.400 176.095 -0.695 17843
8 1 1 . 1 1 3 3 TYR CA C 3 58.072 58.072 58.625 -0.553 17843
9 1 1 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.059 1.787 17843
10 1 1 . 1 1 3 3 TYR H H 3 8.369 8.369 8.299 0.070 17843
11 1 1 . 1 1 4 4 LYS N N 4 123.685 123.685 117.971 5.714 17843
12 1 1 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.090 0.023 17843
13 1 1 . 1 1 4 4 LYS C C 4 175.956 175.956 177.537 -1.581 17843
14 1 1 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.868 -1.733 17843
15 1 1 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.386 0.372 17843
16 1 1 . 1 1 4 4 LYS H H 4 8.012 8.012 6.862 1.150 17843
17 1 1 . 1 1 5 5 LEU N N 5 122.275 122.275 117.736 4.539 17843
18 1 1 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.249 -0.073 17843
19 1 1 . 1 1 5 5 LEU C C 5 176.937 176.937 177.566 -0.629 17843
20 1 1 . 1 1 5 5 LEU CA C 5 55.520 55.520 55.794 -0.274 17843
21 1 1 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.169 -1.161 17843
22 1 1 . 1 1 5 5 LEU H H 5 7.929 7.929 7.441 0.488 17843
23 1 1 . 1 1 6 6 ILE N N 6 123.581 123.581 118.830 4.751 17843
24 1 1 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.229 -0.014 17843
25 1 1 . 1 1 6 6 ILE C C 6 176.732 176.732 175.881 0.851 17843
26 1 1 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.466 0.526 17843
27 1 1 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.980 -0.368 17843
28 1 1 . 1 1 6 6 ILE H H 6 8.116 8.116 7.682 0.434 17843
29 1 1 . 1 1 7 7 LEU N N 7 125.222 125.222 128.996 -3.774 17843
30 1 1 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.052 0.060 17843
31 1 1 . 1 1 7 7 LEU C C 7 177.405 177.405 178.409 -1.004 17843
32 1 1 . 1 1 7 7 LEU CA C 7 55.541 55.541 58.041 -2.500 17843
33 1 1 . 1 1 7 7 LEU CB C 7 42.593 42.593 41.794 0.799 17843
34 1 1 . 1 1 7 7 LEU H H 7 8.034 8.034 8.815 -0.781 17843
35 1 1 . 1 1 8 8 ASN N N 8 118.212 118.212 115.605 2.607 17843
36 1 1 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.552 -0.350 17843
37 1 1 . 1 1 8 8 ASN C C 8 174.463 174.463 176.731 -2.268 17843
38 1 1 . 1 1 8 8 ASN CA C 8 53.073 53.073 55.509 -2.436 17843
39 1 1 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.041 0.747 17843
40 1 1 . 1 1 8 8 ASN H H 8 8.127 8.127 8.517 -0.390 17843
41 1 1 . 1 1 9 9 LEU N N 9 122.727 122.727 117.577 5.150 17843
42 1 1 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.470 -0.243 17843
43 1 1 . 1 1 9 9 LEU C C 9 177.595 177.595 178.438 -0.843 17843
44 1 1 . 1 1 9 9 LEU CA C 9 58.609 58.609 55.535 3.074 17843
45 1 1 . 1 1 9 9 LEU H H 9 8.204 8.204 7.782 0.422 17843
46 1 1 . 1 1 10 10 LYS N N 10 118.199 118.199 121.730 -3.531 17843
47 1 1 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.117 -0.106 17843
48 1 1 . 1 1 10 10 LYS H H 10 7.952 7.952 8.260 -0.308 17843
49 1 1 . 1 1 11 11 GLN N N 11 117.600 117.600 117.467 0.133 17843
50 1 1 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.345 -0.361 17843
51 1 1 . 1 1 11 11 GLN C C 11 179.161 179.161 177.894 1.267 17843
52 1 1 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.300 -1.364 17843
53 1 1 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.556 1.333 17843
54 1 1 . 1 1 11 11 GLN H H 11 7.586 7.586 7.799 -0.213 17843
55 1 1 . 1 1 12 12 ALA N N 12 122.858 122.858 122.660 0.198 17843
56 1 1 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.133 -0.122 17843
57 1 1 . 1 1 12 12 ALA C C 12 179.161 179.161 178.762 0.399 17843
58 1 1 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.396 0.604 17843
59 1 1 . 1 1 12 12 ALA H H 12 8.285 8.285 7.738 0.547 17843
60 1 1 . 1 1 13 13 LYS N N 13 116.783 116.783 118.547 -1.764 17843
61 1 1 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.948 0.049 17843
62 1 1 . 1 1 13 13 LYS C C 13 177.669 177.669 178.720 -1.051 17843
63 1 1 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.144 0.358 17843
64 1 1 . 1 1 13 13 LYS H H 13 8.086 8.086 7.750 0.336 17843
65 1 1 . 1 1 14 14 GLU N N 14 116.603 116.603 120.489 -3.886 17843
66 1 1 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.066 -0.043 17843
67 1 1 . 1 1 14 14 GLU C C 14 180.113 180.113 179.181 0.932 17843
68 1 1 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.383 -0.628 17843
69 1 1 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.459 0.372 17843
70 1 1 . 1 1 14 14 GLU H H 14 7.533 7.533 7.662 -0.129 17843
71 1 1 . 1 1 15 15 GLU N N 15 119.346 119.346 119.769 -0.423 17843
72 1 1 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.128 -0.092 17843
73 1 1 . 1 1 15 15 GLU C C 15 178.283 178.283 178.845 -0.562 17843
74 1 1 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.916 -1.862 17843
75 1 1 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.531 0.417 17843
76 1 1 . 1 1 15 15 GLU H H 15 8.284 8.284 8.208 0.076 17843
77 1 1 . 1 1 16 16 ALA N N 16 122.070 122.070 122.875 -0.805 17843
78 1 1 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.170 -0.147 17843
79 1 1 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.291 -0.063 17843
80 1 1 . 1 1 16 16 ALA H H 16 8.338 8.338 7.887 0.451 17843
81 1 1 . 1 1 18 18 LYS C C 18 178.327 178.327 178.572 -0.245 17843
82 1 1 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.119 -2.539 17843
83 1 1 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.299 0.166 17843
84 1 1 . 1 1 19 19 GLU N N 19 118.876 118.876 119.072 -0.196 17843
85 1 1 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.091 0.073 17843
86 1 1 . 1 1 19 19 GLU C C 19 178.210 178.210 179.310 -1.100 17843
87 1 1 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.328 -1.512 17843
88 1 1 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.655 -0.058 17843
89 1 1 . 1 1 19 19 GLU H H 19 8.187 8.187 7.945 0.242 17843
90 1 1 . 1 1 20 20 LEU N N 20 120.207 120.207 120.904 -0.697 17843
91 1 1 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.103 -0.003 17843
92 1 1 . 1 1 20 20 LEU C C 20 178.825 178.825 178.953 -0.128 17843
93 1 1 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.127 -0.572 17843
94 1 1 . 1 1 20 20 LEU H H 20 7.957 7.957 7.720 0.237 17843
95 1 1 . 1 1 21 21 VAL N N 21 122.396 122.396 118.638 3.758 17843
96 1 1 . 1 1 21 21 VAL C C 21 177.830 177.830 177.673 0.157 17843
97 1 1 . 1 1 21 21 VAL H H 21 8.807 8.807 8.080 0.727 17843
98 1 1 . 1 1 22 22 ASP N N 22 122.142 122.142 121.193 0.949 17843
99 1 1 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.465 -0.275 17843
100 1 1 . 1 1 22 22 ASP H H 22 8.146 8.146 8.089 0.057 17843
101 1 1 . 1 1 23 23 ALA C C 23 177.615 177.615 178.534 -0.919 17843
102 1 1 . 1 1 24 24 GLY N N 24 108.124 108.124 107.007 1.117 17843
103 1 1 . 1 1 24 24 GLY C C 24 174.273 174.273 174.668 -0.395 17843
104 1 1 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.958 0.270 17843
105 1 1 . 1 1 24 24 GLY H H 24 8.015 8.015 7.708 0.307 17843
106 1 1 . 1 1 25 25 ILE N N 25 118.141 118.141 122.220 -4.079 17843
107 1 1 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.208 -0.236 17843
108 1 1 . 1 1 25 25 ILE C C 25 175.810 175.810 175.377 0.433 17843
109 1 1 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.206 -2.021 17843
110 1 1 . 1 1 25 25 ILE H H 25 7.776 7.776 8.386 -0.610 17843
111 1 1 . 1 1 26 26 ALA N N 26 127.540 127.540 129.934 -2.394 17843
112 1 1 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.932 0.155 17843
113 1 1 . 1 1 26 26 ALA C C 26 177.683 177.683 179.107 -1.424 17843
114 1 1 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.721 -0.947 17843
115 1 1 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.652 0.172 17843
116 1 1 . 1 1 26 26 ALA H H 26 8.316 8.316 8.044 0.272 17843
117 1 1 . 1 1 27 27 GLU N N 27 120.829 120.829 118.384 2.445 17843
118 1 1 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.049 0.089 17843
119 1 1 . 1 1 27 27 GLU C C 27 176.322 176.322 178.642 -2.320 17843
120 1 1 . 1 1 27 27 GLU CA C 27 57.116 57.116 60.066 -2.950 17843
121 1 1 . 1 1 27 27 GLU H H 27 8.188 8.188 8.729 -0.541 17843
122 1 1 . 1 1 28 28 LYS N N 28 116.307 116.307 116.912 -0.605 17843
123 1 1 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.082 -0.174 17843
124 1 1 . 1 1 28 28 LYS C C 28 177.464 177.464 178.713 -1.249 17843
125 1 1 . 1 1 28 28 LYS H H 28 8.018 8.018 7.686 0.332 17843
126 1 1 . 1 1 29 29 TYR N N 29 117.013 117.013 121.226 -4.213 17843
127 1 1 . 1 1 29 29 TYR C C 29 177.595 177.595 176.656 0.939 17843
128 1 1 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.400 -1.771 17843
129 1 1 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.115 0.029 17843
130 1 1 . 1 1 29 29 TYR H H 29 7.291 7.291 7.992 -0.701 17843
131 1 1 . 1 1 30 30 PHE N N 30 118.973 118.973 114.734 4.239 17843
132 1 1 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.383 -0.296 17843
133 1 1 . 1 1 30 30 PHE C C 30 177.083 177.083 176.777 0.306 17843
134 1 1 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.435 -2.502 17843
135 1 1 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.831 5.221 17843
136 1 1 . 1 1 30 30 PHE H H 30 7.957 7.957 8.026 -0.069 17843
137 1 1 . 1 1 31 31 LYS N N 31 118.711 118.711 118.135 0.576 17843
138 1 1 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.242 -0.231 17843
139 1 1 . 1 1 31 31 LYS C C 31 177.449 177.449 177.714 -0.265 17843
140 1 1 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.214 0.629 17843
141 1 1 . 1 1 31 31 LYS H H 31 7.863 7.863 7.778 0.085 17843
142 1 1 . 1 1 32 32 LEU N N 32 117.926 117.926 121.482 -3.556 17843
143 1 1 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.759 0.059 17843
144 1 1 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.813 -0.701 17843
145 1 1 . 1 1 32 32 LEU H H 32 7.297 7.297 7.612 -0.315 17843
146 1 1 . 1 1 33 33 ILE N N 33 118.783 118.783 117.771 1.012 17843
147 1 1 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.835 0.150 17843
148 1 1 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.714 -0.900 17843
149 1 1 . 1 1 33 33 ILE H H 33 7.709 7.709 7.509 0.200 17843
150 1 1 . 1 1 35 35 ASN C C 35 175.400 175.400 174.490 0.910 17843
151 1 1 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.190 0.096 17843
152 1 1 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.600 0.305 17843
153 1 1 . 1 1 36 36 ALA N N 36 124.207 124.207 123.279 0.928 17843
154 1 1 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.604 0.353 17843
155 1 1 . 1 1 36 36 ALA CA C 36 53.501 53.501 51.994 1.507 17843
156 1 1 . 1 1 36 36 ALA H H 36 7.292 7.292 7.671 -0.379 17843
157 1 1 . 1 1 37 37 LYS C C 37 176.761 176.761 176.130 0.631 17843
158 1 1 . 1 1 37 37 LYS CA C 37 56.292 56.292 58.290 -1.998 17843
159 1 1 . 1 1 38 38 THR N N 38 106.253 106.253 107.523 -1.270 17843
160 1 1 . 1 1 38 38 THR HA H 38 4.407 4.407 4.570 -0.163 17843
161 1 1 . 1 1 38 38 THR C C 38 174.112 174.112 175.052 -0.940 17843
162 1 1 . 1 1 38 38 THR H H 38 7.273 7.273 7.303 -0.030 17843
163 1 1 . 1 1 39 39 VAL N N 39 122.396 122.396 121.241 1.155 17843
164 1 1 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.351 0.621 17843
165 1 1 . 1 1 39 39 VAL C C 39 176.527 176.527 176.457 0.070 17843
166 1 1 . 1 1 39 39 VAL CA C 39 67.551 67.551 65.008 2.543 17843
167 1 1 . 1 1 39 39 VAL H H 39 8.821 8.821 8.495 0.326 17843
168 1 1 . 1 1 40 40 GLU N N 40 117.771 117.771 118.807 -1.036 17843
169 1 1 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.092 -0.171 17843
170 1 1 . 1 1 40 40 GLU C C 40 179.574 179.574 178.729 0.845 17843
171 1 1 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.458 0.636 17843
172 1 1 . 1 1 40 40 GLU H H 40 8.596 8.596 8.550 0.046 17843
173 1 1 . 1 1 41 41 GLY N N 41 108.656 108.656 108.561 0.095 17843
174 1 1 . 1 1 41 41 GLY C C 41 176.264 176.264 175.510 0.754 17843
175 1 1 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.808 -1.229 17843
176 1 1 . 1 1 41 41 GLY H H 41 7.945 7.945 7.929 0.016 17843
177 1 1 . 1 1 42 42 VAL N N 42 121.716 121.716 121.334 0.382 17843
178 1 1 . 1 1 42 42 VAL C C 42 177.273 177.273 177.641 -0.368 17843
179 1 1 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.872 0.860 17843
180 1 1 . 1 1 42 42 VAL H H 42 7.809 7.809 7.610 0.199 17843
181 1 1 . 1 1 43 43 TRP N N 43 118.909 118.909 119.463 -0.554 17843
182 1 1 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.441 -0.494 17843
183 1 1 . 1 1 43 43 TRP C C 43 178.781 178.781 178.742 0.039 17843
184 1 1 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.402 0.202 17843
185 1 1 . 1 1 43 43 TRP H H 43 7.498 7.498 7.934 -0.436 17843
186 1 1 . 1 1 44 44 THR N N 44 116.154 116.154 116.705 -0.551 17843
187 1 1 . 1 1 44 44 THR HA H 44 3.985 3.985 4.117 -0.132 17843
188 1 1 . 1 1 44 44 THR C C 44 177.639 177.639 176.842 0.797 17843
189 1 1 . 1 1 44 44 THR CA C 44 66.629 66.629 67.064 -0.435 17843
190 1 1 . 1 1 44 44 THR H H 44 8.157 8.157 8.158 -0.001 17843
191 1 1 . 1 1 45 45 TYR N N 45 121.630 121.630 120.321 1.309 17843
192 1 1 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.357 -0.129 17843
193 1 1 . 1 1 45 45 TYR H H 45 8.066 8.066 7.938 0.128 17843
194 1 1 . 1 1 46 46 LYS N N 46 119.502 119.502 120.639 -1.137 17843
195 1 1 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.566 -0.947 17843
196 1 1 . 1 1 46 46 LYS H H 46 8.422 8.422 8.169 0.253 17843
197 1 1 . 1 1 47 47 ASP N N 47 117.441 117.441 118.231 -0.790 17843
198 1 1 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.468 -0.457 17843
199 1 1 . 1 1 47 47 ASP C C 47 174.917 174.917 178.871 -3.954 17843
200 1 1 . 1 1 47 47 ASP H H 47 7.446 7.446 7.854 -0.408 17843
201 1 1 . 1 1 48 48 GLU N N 48 121.387 121.387 119.952 1.435 17843
202 1 1 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.947 0.012 17843
203 1 1 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.444 1.453 17843
204 1 1 . 1 1 48 48 GLU H H 48 7.718 7.718 7.537 0.181 17843
205 1 1 . 1 1 50 50 LYS C C 50 176.922 176.922 179.174 -2.252 17843
206 1 1 . 1 1 51 51 THR N N 51 110.556 110.556 116.524 -5.968 17843
207 1 1 . 1 1 51 51 THR HA H 51 4.164 4.164 3.999 0.165 17843
208 1 1 . 1 1 51 51 THR C C 51 175.429 175.429 175.484 -0.055 17843
209 1 1 . 1 1 51 51 THR H H 51 7.510 7.510 7.588 -0.078 17843
210 1 1 . 1 1 52 52 PHE N N 52 121.424 121.424 117.539 3.885 17843
211 1 1 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.519 -0.777 17843
212 1 1 . 1 1 52 52 PHE C C 52 177.914 177.914 177.382 0.532 17843
213 1 1 . 1 1 52 52 PHE H H 52 7.574 7.574 7.925 -0.351 17843
214 1 1 . 1 1 53 53 THR N N 53 114.075 114.075 115.228 -1.153 17843
215 1 1 . 1 1 53 53 THR C C 53 177.639 177.639 174.881 2.758 17843
216 1 1 . 1 1 53 53 THR H H 53 7.897 7.897 8.012 -0.115 17843
217 1 1 . 1 1 54 54 VAL N N 54 122.414 122.414 122.970 -0.556 17843
218 1 1 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.950 0.291 17843
219 1 1 . 1 1 54 54 VAL C C 54 179.601 179.601 175.628 3.973 17843
220 1 1 . 1 1 54 54 VAL CA C 54 62.668 62.668 63.157 -0.489 17843
221 1 1 . 1 1 54 54 VAL CB C 54 32.816 32.816 31.920 0.896 17843
222 1 1 . 1 1 54 54 VAL H H 54 8.069 8.069 7.753 0.316 17843
223 1 1 . 1 1 55 55 THR N N 55 118.343 118.343 117.265 1.078 17843
224 1 1 . 1 1 55 55 THR HA H 55 4.126 4.126 4.538 -0.412 17843
225 1 1 . 1 1 55 55 THR C C 55 173.658 173.658 174.754 -1.096 17843
226 1 1 . 1 1 55 55 THR CA C 55 61.819 61.819 61.603 0.216 17843
227 1 1 . 1 1 55 55 THR CB C 55 70.154 70.154 70.012 0.142 17843
228 1 1 . 1 1 55 55 THR H H 55 8.189 8.189 8.472 -0.283 17843
229 1 2 . 1 1 2 2 THR N N 2 128.406 128.406 121.026 7.380 17843
230 1 2 . 1 1 2 2 THR HA H 2 4.338 4.338 4.065 0.273 17843
231 1 2 . 1 1 2 2 THR C C 2 176.278 176.278 176.184 0.094 17843
232 1 2 . 1 1 2 2 THR H H 2 7.964 7.964 8.492 -0.528 17843
233 1 2 . 1 1 3 3 TYR N N 3 124.128 124.128 119.674 4.454 17843
234 1 2 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.298 -0.096 17843
235 1 2 . 1 1 3 3 TYR C C 3 175.400 175.400 176.940 -1.540 17843
236 1 2 . 1 1 3 3 TYR CA C 3 58.072 58.072 58.633 -0.561 17843
237 1 2 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.254 1.592 17843
238 1 2 . 1 1 3 3 TYR H H 3 8.369 8.369 8.263 0.106 17843
239 1 2 . 1 1 4 4 LYS N N 4 123.685 123.685 114.644 9.041 17843
240 1 2 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.078 1.035 17843
241 1 2 . 1 1 4 4 LYS C C 4 175.956 175.956 176.494 -0.538 17843
242 1 2 . 1 1 4 4 LYS CA C 4 56.135 56.135 56.025 0.110 17843
243 1 2 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.079 0.679 17843
244 1 2 . 1 1 4 4 LYS H H 4 8.012 8.012 7.446 0.566 17843
245 1 2 . 1 1 5 5 LEU N N 5 122.275 122.275 118.210 4.065 17843
246 1 2 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.071 0.105 17843
247 1 2 . 1 1 5 5 LEU C C 5 176.937 176.937 176.854 0.083 17843
248 1 2 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.441 1.079 17843
249 1 2 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.047 -1.039 17843
250 1 2 . 1 1 5 5 LEU H H 5 7.929 7.929 7.353 0.576 17843
251 1 2 . 1 1 6 6 ILE N N 6 123.581 123.581 120.441 3.140 17843
252 1 2 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.127 0.088 17843
253 1 2 . 1 1 6 6 ILE C C 6 176.732 176.732 176.510 0.222 17843
254 1 2 . 1 1 6 6 ILE CA C 6 60.992 60.992 61.825 -0.833 17843
255 1 2 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.868 0.744 17843
256 1 2 . 1 1 6 6 ILE H H 6 8.116 8.116 7.221 0.895 17843
257 1 2 . 1 1 7 7 LEU N N 7 125.222 125.222 128.096 -2.874 17843
258 1 2 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.446 -0.334 17843
259 1 2 . 1 1 7 7 LEU C C 7 177.405 177.405 176.603 0.802 17843
260 1 2 . 1 1 7 7 LEU CA C 7 55.541 55.541 55.882 -0.341 17843
261 1 2 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.362 0.230 17843
262 1 2 . 1 1 7 7 LEU H H 7 8.034 8.034 8.617 -0.583 17843
263 1 2 . 1 1 8 8 ASN N N 8 118.212 118.212 117.815 0.397 17843
264 1 2 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.673 -0.471 17843
265 1 2 . 1 1 8 8 ASN C C 8 174.463 174.463 176.142 -1.679 17843
266 1 2 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.637 0.436 17843
267 1 2 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.894 -0.106 17843
268 1 2 . 1 1 8 8 ASN H H 8 8.127 8.127 7.606 0.521 17843
269 1 2 . 1 1 9 9 LEU N N 9 122.727 122.727 129.434 -6.707 17843
270 1 2 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.968 0.259 17843
271 1 2 . 1 1 9 9 LEU C C 9 177.595 177.595 177.802 -0.207 17843
272 1 2 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.707 0.902 17843
273 1 2 . 1 1 9 9 LEU H H 9 8.204 8.204 8.929 -0.725 17843
274 1 2 . 1 1 10 10 LYS N N 10 118.199 118.199 119.612 -1.413 17843
275 1 2 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.887 0.124 17843
276 1 2 . 1 1 10 10 LYS H H 10 7.952 7.952 8.388 -0.436 17843
277 1 2 . 1 1 11 11 GLN N N 11 117.600 117.600 117.419 0.181 17843
278 1 2 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.279 -0.295 17843
279 1 2 . 1 1 11 11 GLN C C 11 179.161 179.161 178.476 0.685 17843
280 1 2 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.974 -2.038 17843
281 1 2 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.590 1.299 17843
282 1 2 . 1 1 11 11 GLN H H 11 7.586 7.586 8.636 -1.050 17843
283 1 2 . 1 1 12 12 ALA N N 12 122.858 122.858 123.325 -0.467 17843
284 1 2 . 1 1 12 12 ALA HA H 12 4.011 4.011 3.987 0.024 17843
285 1 2 . 1 1 12 12 ALA C C 12 179.161 179.161 179.397 -0.236 17843
286 1 2 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.495 0.506 17843
287 1 2 . 1 1 12 12 ALA H H 12 8.285 8.285 8.580 -0.295 17843
288 1 2 . 1 1 13 13 LYS N N 13 116.783 116.783 118.829 -2.046 17843
289 1 2 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.992 0.005 17843
290 1 2 . 1 1 13 13 LYS C C 13 177.669 177.669 179.071 -1.402 17843
291 1 2 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.938 -0.437 17843
292 1 2 . 1 1 13 13 LYS H H 13 8.086 8.086 8.358 -0.272 17843
293 1 2 . 1 1 14 14 GLU N N 14 116.603 116.603 119.612 -3.009 17843
294 1 2 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.983 0.040 17843
295 1 2 . 1 1 14 14 GLU C C 14 180.113 180.113 179.405 0.708 17843
296 1 2 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.688 -0.933 17843
297 1 2 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.435 0.396 17843
298 1 2 . 1 1 14 14 GLU H H 14 7.533 7.533 8.018 -0.485 17843
299 1 2 . 1 1 15 15 GLU N N 15 119.346 119.346 118.977 0.369 17843
300 1 2 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.008 0.028 17843
301 1 2 . 1 1 15 15 GLU C C 15 178.283 178.283 178.556 -0.273 17843
302 1 2 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.606 -1.552 17843
303 1 2 . 1 1 15 15 GLU CB C 15 29.948 29.948 28.941 1.007 17843
304 1 2 . 1 1 15 15 GLU H H 15 8.284 8.284 8.003 0.281 17843
305 1 2 . 1 1 16 16 ALA N N 16 122.070 122.070 122.153 -0.083 17843
306 1 2 . 1 1 16 16 ALA HA H 16 4.023 4.023 3.984 0.039 17843
307 1 2 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.837 0.390 17843
308 1 2 . 1 1 16 16 ALA H H 16 8.338 8.338 7.694 0.644 17843
309 1 2 . 1 1 18 18 LYS C C 18 178.327 178.327 178.575 -0.248 17843
310 1 2 . 1 1 18 18 LYS CA C 18 57.580 57.580 59.978 -2.398 17843
311 1 2 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.113 0.352 17843
312 1 2 . 1 1 19 19 GLU N N 19 118.876 118.876 119.083 -0.207 17843
313 1 2 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.167 -0.003 17843
314 1 2 . 1 1 19 19 GLU C C 19 178.210 178.210 179.112 -0.902 17843
315 1 2 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.460 -1.644 17843
316 1 2 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.350 0.247 17843
317 1 2 . 1 1 19 19 GLU H H 19 8.187 8.187 7.986 0.201 17843
318 1 2 . 1 1 20 20 LEU N N 20 120.207 120.207 119.600 0.607 17843
319 1 2 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.122 -0.022 17843
320 1 2 . 1 1 20 20 LEU C C 20 178.825 178.825 179.177 -0.352 17843
321 1 2 . 1 1 20 20 LEU CA C 20 57.555 57.555 57.559 -0.004 17843
322 1 2 . 1 1 20 20 LEU H H 20 7.957 7.957 7.516 0.441 17843
323 1 2 . 1 1 21 21 VAL N N 21 122.396 122.396 120.492 1.904 17843
324 1 2 . 1 1 21 21 VAL C C 21 177.830 177.830 178.150 -0.320 17843
325 1 2 . 1 1 21 21 VAL H H 21 8.807 8.807 8.417 0.390 17843
326 1 2 . 1 1 22 22 ASP N N 22 122.142 122.142 120.138 2.004 17843
327 1 2 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.460 -0.270 17843
328 1 2 . 1 1 22 22 ASP H H 22 8.146 8.146 8.260 -0.114 17843
329 1 2 . 1 1 23 23 ALA C C 23 177.615 177.615 178.430 -0.815 17843
330 1 2 . 1 1 24 24 GLY N N 24 108.124 108.124 105.126 2.998 17843
331 1 2 . 1 1 24 24 GLY C C 24 174.273 174.273 174.304 -0.031 17843
332 1 2 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.671 0.557 17843
333 1 2 . 1 1 24 24 GLY H H 24 8.015 8.015 7.970 0.045 17843
334 1 2 . 1 1 25 25 ILE N N 25 118.141 118.141 122.383 -4.242 17843
335 1 2 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.337 -0.365 17843
336 1 2 . 1 1 25 25 ILE C C 25 175.810 175.810 174.848 0.962 17843
337 1 2 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.564 -2.379 17843
338 1 2 . 1 1 25 25 ILE H H 25 7.776 7.776 8.288 -0.512 17843
339 1 2 . 1 1 26 26 ALA N N 26 127.540 127.540 130.507 -2.967 17843
340 1 2 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.709 -0.622 17843
341 1 2 . 1 1 26 26 ALA C C 26 177.683 177.683 178.866 -1.183 17843
342 1 2 . 1 1 26 26 ALA CA C 26 54.774 54.774 54.329 0.445 17843
343 1 2 . 1 1 26 26 ALA CB C 26 18.824 18.824 19.148 -0.324 17843
344 1 2 . 1 1 26 26 ALA H H 26 8.316 8.316 8.885 -0.569 17843
345 1 2 . 1 1 27 27 GLU N N 27 120.829 120.829 118.843 1.986 17843
346 1 2 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.170 -0.032 17843
347 1 2 . 1 1 27 27 GLU C C 27 176.322 176.322 178.430 -2.108 17843
348 1 2 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.297 -2.181 17843
349 1 2 . 1 1 27 27 GLU H H 27 8.188 8.188 8.663 -0.475 17843
350 1 2 . 1 1 28 28 LYS N N 28 116.307 116.307 117.213 -0.906 17843
351 1 2 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.168 -0.260 17843
352 1 2 . 1 1 28 28 LYS C C 28 177.464 177.464 178.875 -1.411 17843
353 1 2 . 1 1 28 28 LYS H H 28 8.018 8.018 8.494 -0.476 17843
354 1 2 . 1 1 29 29 TYR N N 29 117.013 117.013 119.019 -2.006 17843
355 1 2 . 1 1 29 29 TYR C C 29 177.595 177.595 177.467 0.128 17843
356 1 2 . 1 1 29 29 TYR CA C 29 59.629 59.629 60.962 -1.333 17843
357 1 2 . 1 1 29 29 TYR CB C 29 38.144 38.144 37.470 0.674 17843
358 1 2 . 1 1 29 29 TYR H H 29 7.291 7.291 8.019 -0.728 17843
359 1 2 . 1 1 30 30 PHE N N 30 118.973 118.973 117.849 1.124 17843
360 1 2 . 1 1 30 30 PHE HA H 30 4.087 4.087 3.968 0.119 17843
361 1 2 . 1 1 30 30 PHE C C 30 177.083 177.083 175.588 1.495 17843
362 1 2 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.390 -2.457 17843
363 1 2 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.203 5.849 17843
364 1 2 . 1 1 30 30 PHE H H 30 7.957 7.957 7.061 0.896 17843
365 1 2 . 1 1 31 31 LYS N N 31 118.711 118.711 117.595 1.116 17843
366 1 2 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.148 -0.137 17843
367 1 2 . 1 1 31 31 LYS C C 31 177.449 177.449 178.411 -0.962 17843
368 1 2 . 1 1 31 31 LYS CA C 31 58.843 58.843 57.978 0.865 17843
369 1 2 . 1 1 31 31 LYS H H 31 7.863 7.863 7.344 0.519 17843
370 1 2 . 1 1 32 32 LEU N N 32 117.926 117.926 120.535 -2.609 17843
371 1 2 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.837 -0.019 17843
372 1 2 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.540 -0.428 17843
373 1 2 . 1 1 32 32 LEU H H 32 7.297 7.297 7.951 -0.654 17843
374 1 2 . 1 1 33 33 ILE N N 33 118.783 118.783 116.332 2.451 17843
375 1 2 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.955 0.030 17843
376 1 2 . 1 1 33 33 ILE CA C 33 61.814 61.814 64.169 -2.355 17843
377 1 2 . 1 1 33 33 ILE H H 33 7.709 7.709 7.302 0.407 17843
378 1 2 . 1 1 35 35 ASN C C 35 175.400 175.400 174.285 1.115 17843
379 1 2 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.072 0.214 17843
380 1 2 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.078 0.827 17843
381 1 2 . 1 1 36 36 ALA N N 36 124.207 124.207 122.315 1.892 17843
382 1 2 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.478 0.479 17843
383 1 2 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.033 1.468 17843
384 1 2 . 1 1 36 36 ALA H H 36 7.292 7.292 7.906 -0.614 17843
385 1 2 . 1 1 37 37 LYS C C 37 176.761 176.761 176.002 0.759 17843
386 1 2 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.432 -1.141 17843
387 1 2 . 1 1 38 38 THR N N 38 106.253 106.253 108.636 -2.383 17843
388 1 2 . 1 1 38 38 THR HA H 38 4.407 4.407 4.370 0.037 17843
389 1 2 . 1 1 38 38 THR C C 38 174.112 174.112 174.539 -0.427 17843
390 1 2 . 1 1 38 38 THR H H 38 7.273 7.273 7.307 -0.034 17843
391 1 2 . 1 1 39 39 VAL N N 39 122.396 122.396 122.281 0.115 17843
392 1 2 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.566 0.406 17843
393 1 2 . 1 1 39 39 VAL C C 39 176.527 176.527 176.344 0.183 17843
394 1 2 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.466 3.085 17843
395 1 2 . 1 1 39 39 VAL H H 39 8.821 8.821 8.556 0.265 17843
396 1 2 . 1 1 40 40 GLU N N 40 117.771 117.771 118.759 -0.988 17843
397 1 2 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.614 0.307 17843
398 1 2 . 1 1 40 40 GLU C C 40 179.574 179.574 178.580 0.994 17843
399 1 2 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.325 0.769 17843
400 1 2 . 1 1 40 40 GLU H H 40 8.596 8.596 8.499 0.097 17843
401 1 2 . 1 1 41 41 GLY N N 41 108.656 108.656 108.344 0.312 17843
402 1 2 . 1 1 41 41 GLY C C 41 176.264 176.264 175.272 0.992 17843
403 1 2 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.699 -1.120 17843
404 1 2 . 1 1 41 41 GLY H H 41 7.945 7.945 7.763 0.182 17843
405 1 2 . 1 1 42 42 VAL N N 42 121.716 121.716 121.238 0.478 17843
406 1 2 . 1 1 42 42 VAL C C 42 177.273 177.273 177.797 -0.524 17843
407 1 2 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.732 1.000 17843
408 1 2 . 1 1 42 42 VAL H H 42 7.809 7.809 7.113 0.696 17843
409 1 2 . 1 1 43 43 TRP N N 43 118.909 118.909 119.568 -0.659 17843
410 1 2 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.418 -0.471 17843
411 1 2 . 1 1 43 43 TRP C C 43 178.781 178.781 179.056 -0.275 17843
412 1 2 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.542 0.062 17843
413 1 2 . 1 1 43 43 TRP H H 43 7.498 7.498 8.073 -0.575 17843
414 1 2 . 1 1 44 44 THR N N 44 116.154 116.154 115.580 0.574 17843
415 1 2 . 1 1 44 44 THR HA H 44 3.985 3.985 4.146 -0.161 17843
416 1 2 . 1 1 44 44 THR C C 44 177.639 177.639 177.111 0.528 17843
417 1 2 . 1 1 44 44 THR CA C 44 66.629 66.629 66.409 0.220 17843
418 1 2 . 1 1 44 44 THR H H 44 8.157 8.157 7.846 0.311 17843
419 1 2 . 1 1 45 45 TYR N N 45 121.630 121.630 121.212 0.418 17843
420 1 2 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.277 -0.049 17843
421 1 2 . 1 1 45 45 TYR H H 45 8.066 8.066 8.052 0.014 17843
422 1 2 . 1 1 46 46 LYS N N 46 119.502 119.502 120.331 -0.829 17843
423 1 2 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.706 -0.087 17843
424 1 2 . 1 1 46 46 LYS H H 46 8.422 8.422 7.721 0.701 17843
425 1 2 . 1 1 47 47 ASP N N 47 117.441 117.441 118.317 -0.876 17843
426 1 2 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.370 -0.359 17843
427 1 2 . 1 1 47 47 ASP C C 47 174.917 174.917 178.340 -3.423 17843
428 1 2 . 1 1 47 47 ASP H H 47 7.446 7.446 8.029 -0.583 17843
429 1 2 . 1 1 48 48 GLU N N 48 121.387 121.387 118.667 2.720 17843
430 1 2 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.922 0.037 17843
431 1 2 . 1 1 48 48 GLU CA C 48 59.897 59.897 59.027 0.870 17843
432 1 2 . 1 1 48 48 GLU H H 48 7.718 7.718 7.459 0.259 17843
433 1 2 . 1 1 50 50 LYS C C 50 176.922 176.922 178.651 -1.729 17843
434 1 2 . 1 1 51 51 THR N N 51 110.556 110.556 115.941 -5.385 17843
435 1 2 . 1 1 51 51 THR HA H 51 4.164 4.164 4.066 0.098 17843
436 1 2 . 1 1 51 51 THR C C 51 175.429 175.429 176.864 -1.435 17843
437 1 2 . 1 1 51 51 THR H H 51 7.510 7.510 7.491 0.019 17843
438 1 2 . 1 1 52 52 PHE N N 52 121.424 121.424 120.406 1.018 17843
439 1 2 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.578 -0.836 17843
440 1 2 . 1 1 52 52 PHE C C 52 177.914 177.914 178.563 -0.649 17843
441 1 2 . 1 1 52 52 PHE H H 52 7.574 7.574 7.474 0.100 17843
442 1 2 . 1 1 53 53 THR N N 53 114.075 114.075 114.970 -0.895 17843
443 1 2 . 1 1 53 53 THR C C 53 177.639 177.639 176.320 1.319 17843
444 1 2 . 1 1 53 53 THR H H 53 7.897 7.897 8.134 -0.237 17843
445 1 2 . 1 1 54 54 VAL N N 54 122.414 122.414 119.861 2.553 17843
446 1 2 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.799 0.442 17843
447 1 2 . 1 1 54 54 VAL C C 54 179.601 179.601 177.483 2.118 17843
448 1 2 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.284 -2.616 17843
449 1 2 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.099 0.717 17843
450 1 2 . 1 1 54 54 VAL H H 54 8.069 8.069 7.744 0.325 17843
451 1 2 . 1 1 55 55 THR N N 55 118.343 118.343 109.820 8.523 17843
452 1 2 . 1 1 55 55 THR HA H 55 4.126 4.126 4.306 -0.180 17843
453 1 2 . 1 1 55 55 THR C C 55 173.658 173.658 175.431 -1.773 17843
454 1 2 . 1 1 55 55 THR CA C 55 61.819 61.819 63.461 -1.642 17843
455 1 2 . 1 1 55 55 THR CB C 55 70.154 70.154 69.368 0.786 17843
456 1 2 . 1 1 55 55 THR H H 55 8.189 8.189 8.022 0.167 17843
457 1 3 . 1 1 2 2 THR N N 2 128.406 128.406 119.230 9.176 17843
458 1 3 . 1 1 2 2 THR HA H 2 4.338 4.338 4.417 -0.079 17843
459 1 3 . 1 1 2 2 THR C C 2 176.278 176.278 175.547 0.731 17843
460 1 3 . 1 1 2 2 THR H H 2 7.964 7.964 8.005 -0.041 17843
461 1 3 . 1 1 3 3 TYR N N 3 124.128 124.128 126.612 -2.484 17843
462 1 3 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.169 0.033 17843
463 1 3 . 1 1 3 3 TYR C C 3 175.400 175.400 175.272 0.128 17843
464 1 3 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.922 -1.850 17843
465 1 3 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.563 1.282 17843
466 1 3 . 1 1 3 3 TYR H H 3 8.369 8.369 8.298 0.071 17843
467 1 3 . 1 1 4 4 LYS N N 4 123.685 123.685 117.761 5.924 17843
468 1 3 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.801 0.312 17843
469 1 3 . 1 1 4 4 LYS C C 4 175.956 175.956 176.843 -0.887 17843
470 1 3 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.407 -1.272 17843
471 1 3 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.849 0.909 17843
472 1 3 . 1 1 4 4 LYS H H 4 8.012 8.012 7.294 0.718 17843
473 1 3 . 1 1 5 5 LEU N N 5 122.275 122.275 117.601 4.674 17843
474 1 3 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.275 -0.099 17843
475 1 3 . 1 1 5 5 LEU C C 5 176.937 176.937 177.090 -0.153 17843
476 1 3 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.986 0.534 17843
477 1 3 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.358 -1.350 17843
478 1 3 . 1 1 5 5 LEU H H 5 7.929 7.929 7.564 0.365 17843
479 1 3 . 1 1 6 6 ILE N N 6 123.581 123.581 119.521 4.060 17843
480 1 3 . 1 1 6 6 ILE HA H 6 4.215 4.215 3.995 0.220 17843
481 1 3 . 1 1 6 6 ILE C C 6 176.732 176.732 175.676 1.056 17843
482 1 3 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.581 0.411 17843
483 1 3 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.375 1.237 17843
484 1 3 . 1 1 6 6 ILE H H 6 8.116 8.116 7.876 0.240 17843
485 1 3 . 1 1 7 7 LEU N N 7 125.222 125.222 128.946 -3.724 17843
486 1 3 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.308 -0.196 17843
487 1 3 . 1 1 7 7 LEU C C 7 177.405 177.405 176.615 0.790 17843
488 1 3 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.141 -0.599 17843
489 1 3 . 1 1 7 7 LEU CB C 7 42.593 42.593 43.178 -0.585 17843
490 1 3 . 1 1 7 7 LEU H H 7 8.034 8.034 8.319 -0.285 17843
491 1 3 . 1 1 8 8 ASN N N 8 118.212 118.212 116.510 1.702 17843
492 1 3 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.917 -0.715 17843
493 1 3 . 1 1 8 8 ASN C C 8 174.463 174.463 176.280 -1.817 17843
494 1 3 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.115 0.958 17843
495 1 3 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.654 -0.866 17843
496 1 3 . 1 1 8 8 ASN H H 8 8.127 8.127 8.466 -0.339 17843
497 1 3 . 1 1 9 9 LEU N N 9 122.727 122.727 125.484 -2.757 17843
498 1 3 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.029 0.198 17843
499 1 3 . 1 1 9 9 LEU C C 9 177.595 177.595 178.239 -0.644 17843
500 1 3 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.472 0.137 17843
501 1 3 . 1 1 9 9 LEU H H 9 8.204 8.204 8.571 -0.367 17843
502 1 3 . 1 1 10 10 LYS N N 10 118.199 118.199 118.763 -0.564 17843
503 1 3 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.951 0.060 17843
504 1 3 . 1 1 10 10 LYS H H 10 7.952 7.952 8.400 -0.448 17843
505 1 3 . 1 1 11 11 GLN N N 11 117.600 117.600 116.482 1.118 17843
506 1 3 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.042 -0.058 17843
507 1 3 . 1 1 11 11 GLN C C 11 179.161 179.161 178.455 0.706 17843
508 1 3 . 1 1 11 11 GLN CA C 11 56.936 56.936 59.124 -2.188 17843
509 1 3 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.411 1.478 17843
510 1 3 . 1 1 11 11 GLN H H 11 7.586 7.586 8.526 -0.940 17843
511 1 3 . 1 1 12 12 ALA N N 12 122.858 122.858 121.886 0.972 17843
512 1 3 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.162 -0.151 17843
513 1 3 . 1 1 12 12 ALA C C 12 179.161 179.161 179.245 -0.084 17843
514 1 3 . 1 1 12 12 ALA CA C 12 56.000 56.000 54.872 1.128 17843
515 1 3 . 1 1 12 12 ALA H H 12 8.285 8.285 7.395 0.890 17843
516 1 3 . 1 1 13 13 LYS N N 13 116.783 116.783 118.584 -1.801 17843
517 1 3 . 1 1 13 13 LYS HA H 13 3.997 3.997 4.035 -0.038 17843
518 1 3 . 1 1 13 13 LYS C C 13 177.669 177.669 178.409 -0.740 17843
519 1 3 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.224 0.278 17843
520 1 3 . 1 1 13 13 LYS H H 13 8.086 8.086 8.409 -0.322 17843
521 1 3 . 1 1 14 14 GLU N N 14 116.603 116.603 120.799 -4.196 17843
522 1 3 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.991 0.032 17843
523 1 3 . 1 1 14 14 GLU C C 14 180.113 180.113 178.959 1.154 17843
524 1 3 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.791 -1.036 17843
525 1 3 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.496 0.335 17843
526 1 3 . 1 1 14 14 GLU H H 14 7.533 7.533 8.268 -0.735 17843
527 1 3 . 1 1 15 15 GLU N N 15 119.346 119.346 118.719 0.627 17843
528 1 3 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.218 -0.182 17843
529 1 3 . 1 1 15 15 GLU C C 15 178.283 178.283 178.771 -0.488 17843
530 1 3 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.029 -0.975 17843
531 1 3 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.424 0.524 17843
532 1 3 . 1 1 15 15 GLU H H 15 8.284 8.284 7.645 0.639 17843
533 1 3 . 1 1 16 16 ALA N N 16 122.070 122.070 123.192 -1.122 17843
534 1 3 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.128 -0.105 17843
535 1 3 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.118 0.110 17843
536 1 3 . 1 1 16 16 ALA H H 16 8.338 8.338 7.643 0.695 17843
537 1 3 . 1 1 18 18 LYS C C 18 178.327 178.327 179.098 -0.771 17843
538 1 3 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.161 -2.581 17843
539 1 3 . 1 1 18 18 LYS CB C 18 32.465 32.465 31.993 0.472 17843
540 1 3 . 1 1 19 19 GLU N N 19 118.876 118.876 119.207 -0.331 17843
541 1 3 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.197 -0.033 17843
542 1 3 . 1 1 19 19 GLU C C 19 178.210 178.210 179.141 -0.931 17843
543 1 3 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.449 -0.633 17843
544 1 3 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.363 0.234 17843
545 1 3 . 1 1 19 19 GLU H H 19 8.187 8.187 7.889 0.298 17843
546 1 3 . 1 1 20 20 LEU N N 20 120.207 120.207 120.977 -0.770 17843
547 1 3 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.872 0.228 17843
548 1 3 . 1 1 20 20 LEU C C 20 178.825 178.825 178.819 0.006 17843
549 1 3 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.049 -0.494 17843
550 1 3 . 1 1 20 20 LEU H H 20 7.957 7.957 8.223 -0.266 17843
551 1 3 . 1 1 21 21 VAL N N 21 122.396 122.396 120.083 2.313 17843
552 1 3 . 1 1 21 21 VAL C C 21 177.830 177.830 178.204 -0.374 17843
553 1 3 . 1 1 21 21 VAL H H 21 8.807 8.807 7.980 0.827 17843
554 1 3 . 1 1 22 22 ASP N N 22 122.142 122.142 120.163 1.979 17843
555 1 3 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.390 -0.200 17843
556 1 3 . 1 1 22 22 ASP H H 22 8.146 8.146 7.949 0.197 17843
557 1 3 . 1 1 23 23 ALA C C 23 177.615 177.615 178.173 -0.558 17843
558 1 3 . 1 1 24 24 GLY N N 24 108.124 108.124 107.134 0.990 17843
559 1 3 . 1 1 24 24 GLY C C 24 174.273 174.273 174.460 -0.187 17843
560 1 3 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.862 0.366 17843
561 1 3 . 1 1 24 24 GLY H H 24 8.015 8.015 7.633 0.382 17843
562 1 3 . 1 1 25 25 ILE N N 25 118.141 118.141 121.371 -3.230 17843
563 1 3 . 1 1 25 25 ILE HA H 25 3.972 3.972 3.964 0.008 17843
564 1 3 . 1 1 25 25 ILE C C 25 175.810 175.810 175.298 0.512 17843
565 1 3 . 1 1 25 25 ILE CA C 25 58.185 58.185 59.898 -1.713 17843
566 1 3 . 1 1 25 25 ILE H H 25 7.776 7.776 8.083 -0.307 17843
567 1 3 . 1 1 26 26 ALA N N 26 127.540 127.540 129.789 -2.249 17843
568 1 3 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.892 0.195 17843
569 1 3 . 1 1 26 26 ALA C C 26 177.683 177.683 179.126 -1.443 17843
570 1 3 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.739 -0.965 17843
571 1 3 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.598 0.226 17843
572 1 3 . 1 1 26 26 ALA H H 26 8.316 8.316 8.040 0.276 17843
573 1 3 . 1 1 27 27 GLU N N 27 120.829 120.829 118.375 2.454 17843
574 1 3 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.093 0.045 17843
575 1 3 . 1 1 27 27 GLU C C 27 176.322 176.322 178.494 -2.172 17843
576 1 3 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.852 -2.736 17843
577 1 3 . 1 1 27 27 GLU H H 27 8.188 8.188 8.716 -0.528 17843
578 1 3 . 1 1 28 28 LYS N N 28 116.307 116.307 117.262 -0.955 17843
579 1 3 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.123 -0.215 17843
580 1 3 . 1 1 28 28 LYS C C 28 177.464 177.464 178.567 -1.103 17843
581 1 3 . 1 1 28 28 LYS H H 28 8.018 8.018 8.129 -0.111 17843
582 1 3 . 1 1 29 29 TYR N N 29 117.013 117.013 121.671 -4.658 17843
583 1 3 . 1 1 29 29 TYR C C 29 177.595 177.595 176.847 0.748 17843
584 1 3 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.779 -2.150 17843
585 1 3 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.256 -0.112 17843
586 1 3 . 1 1 29 29 TYR H H 29 7.291 7.291 7.937 -0.646 17843
587 1 3 . 1 1 30 30 PHE N N 30 118.973 118.973 115.750 3.223 17843
588 1 3 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.410 -0.323 17843
589 1 3 . 1 1 30 30 PHE C C 30 177.083 177.083 176.749 0.334 17843
590 1 3 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.389 -2.455 17843
591 1 3 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.852 5.199 17843
592 1 3 . 1 1 30 30 PHE H H 30 7.957 7.957 7.943 0.014 17843
593 1 3 . 1 1 31 31 LYS N N 31 118.711 118.711 118.109 0.602 17843
594 1 3 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.215 -0.204 17843
595 1 3 . 1 1 31 31 LYS C C 31 177.449 177.449 177.698 -0.249 17843
596 1 3 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.637 0.206 17843
597 1 3 . 1 1 31 31 LYS H H 31 7.863 7.863 8.149 -0.286 17843
598 1 3 . 1 1 32 32 LEU N N 32 117.926 117.926 120.964 -3.038 17843
599 1 3 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.988 -0.170 17843
600 1 3 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.537 -0.425 17843
601 1 3 . 1 1 32 32 LEU H H 32 7.297 7.297 7.494 -0.197 17843
602 1 3 . 1 1 33 33 ILE N N 33 118.783 118.783 119.329 -0.546 17843
603 1 3 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.786 0.199 17843
604 1 3 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.043 -1.229 17843
605 1 3 . 1 1 33 33 ILE H H 33 7.709 7.709 8.017 -0.308 17843
606 1 3 . 1 1 35 35 ASN C C 35 175.400 175.400 174.908 0.492 17843
607 1 3 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.389 -0.103 17843
608 1 3 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.768 0.137 17843
609 1 3 . 1 1 36 36 ALA N N 36 124.207 124.207 122.447 1.760 17843
610 1 3 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.312 0.645 17843
611 1 3 . 1 1 36 36 ALA CA C 36 53.501 53.501 53.237 0.264 17843
612 1 3 . 1 1 36 36 ALA H H 36 7.292 7.292 7.245 0.047 17843
613 1 3 . 1 1 37 37 LYS C C 37 176.761 176.761 176.350 0.411 17843
614 1 3 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.285 0.007 17843
615 1 3 . 1 1 38 38 THR N N 38 106.253 106.253 110.853 -4.600 17843
616 1 3 . 1 1 38 38 THR HA H 38 4.407 4.407 4.460 -0.053 17843
617 1 3 . 1 1 38 38 THR C C 38 174.112 174.112 174.459 -0.347 17843
618 1 3 . 1 1 38 38 THR H H 38 7.273 7.273 7.397 -0.124 17843
619 1 3 . 1 1 39 39 VAL N N 39 122.396 122.396 118.666 3.730 17843
620 1 3 . 1 1 39 39 VAL HA H 39 3.972 3.972 4.052 -0.080 17843
621 1 3 . 1 1 39 39 VAL C C 39 176.527 176.527 176.726 -0.199 17843
622 1 3 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.873 2.678 17843
623 1 3 . 1 1 39 39 VAL H H 39 8.821 8.821 8.770 0.051 17843
624 1 3 . 1 1 40 40 GLU N N 40 117.771 117.771 121.625 -3.854 17843
625 1 3 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.815 0.106 17843
626 1 3 . 1 1 40 40 GLU C C 40 179.574 179.574 178.549 1.025 17843
627 1 3 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.295 0.799 17843
628 1 3 . 1 1 40 40 GLU H H 40 8.596 8.596 8.249 0.347 17843
629 1 3 . 1 1 41 41 GLY N N 41 108.656 108.656 107.861 0.795 17843
630 1 3 . 1 1 41 41 GLY C C 41 176.264 176.264 175.751 0.513 17843
631 1 3 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.585 -1.006 17843
632 1 3 . 1 1 41 41 GLY H H 41 7.945 7.945 8.247 -0.302 17843
633 1 3 . 1 1 42 42 VAL N N 42 121.716 121.716 121.484 0.232 17843
634 1 3 . 1 1 42 42 VAL C C 42 177.273 177.273 177.068 0.205 17843
635 1 3 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.628 1.104 17843
636 1 3 . 1 1 42 42 VAL H H 42 7.809 7.809 7.456 0.353 17843
637 1 3 . 1 1 43 43 TRP N N 43 118.909 118.909 121.989 -3.080 17843
638 1 3 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.340 -0.393 17843
639 1 3 . 1 1 43 43 TRP C C 43 178.781 178.781 178.089 0.692 17843
640 1 3 . 1 1 43 43 TRP CA C 43 59.604 59.604 61.774 -2.170 17843
641 1 3 . 1 1 43 43 TRP H H 43 7.498 7.498 8.336 -0.838 17843
642 1 3 . 1 1 44 44 THR N N 44 116.154 116.154 116.433 -0.279 17843
643 1 3 . 1 1 44 44 THR HA H 44 3.985 3.985 3.798 0.187 17843
644 1 3 . 1 1 44 44 THR C C 44 177.639 177.639 176.580 1.059 17843
645 1 3 . 1 1 44 44 THR CA C 44 66.629 66.629 66.811 -0.183 17843
646 1 3 . 1 1 44 44 THR H H 44 8.157 8.157 7.991 0.166 17843
647 1 3 . 1 1 45 45 TYR N N 45 121.630 121.630 120.183 1.447 17843
648 1 3 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.191 0.037 17843
649 1 3 . 1 1 45 45 TYR H H 45 8.066 8.066 7.944 0.122 17843
650 1 3 . 1 1 46 46 LYS N N 46 119.502 119.502 120.569 -1.067 17843
651 1 3 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.028 -0.409 17843
652 1 3 . 1 1 46 46 LYS H H 46 8.422 8.422 7.900 0.522 17843
653 1 3 . 1 1 47 47 ASP N N 47 117.441 117.441 119.187 -1.746 17843
654 1 3 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.263 -0.252 17843
655 1 3 . 1 1 47 47 ASP C C 47 174.917 174.917 178.893 -3.976 17843
656 1 3 . 1 1 47 47 ASP H H 47 7.446 7.446 7.527 -0.081 17843
657 1 3 . 1 1 48 48 GLU N N 48 121.387 121.387 120.138 1.249 17843
658 1 3 . 1 1 48 48 GLU HA H 48 3.959 3.959 4.146 -0.187 17843
659 1 3 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.972 0.925 17843
660 1 3 . 1 1 48 48 GLU H H 48 7.718 7.718 7.697 0.021 17843
661 1 3 . 1 1 50 50 LYS C C 50 176.922 176.922 179.151 -2.229 17843
662 1 3 . 1 1 51 51 THR N N 51 110.556 110.556 116.992 -6.436 17843
663 1 3 . 1 1 51 51 THR HA H 51 4.164 4.164 3.998 0.166 17843
664 1 3 . 1 1 51 51 THR C C 51 175.429 175.429 176.135 -0.706 17843
665 1 3 . 1 1 51 51 THR H H 51 7.510 7.510 8.007 -0.497 17843
666 1 3 . 1 1 52 52 PHE N N 52 121.424 121.424 122.477 -1.053 17843
667 1 3 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.254 -0.512 17843
668 1 3 . 1 1 52 52 PHE C C 52 177.914 177.914 177.330 0.584 17843
669 1 3 . 1 1 52 52 PHE H H 52 7.574 7.574 8.435 -0.861 17843
670 1 3 . 1 1 53 53 THR N N 53 114.075 114.075 115.305 -1.230 17843
671 1 3 . 1 1 53 53 THR C C 53 177.639 177.639 176.119 1.520 17843
672 1 3 . 1 1 53 53 THR H H 53 7.897 7.897 7.882 0.015 17843
673 1 3 . 1 1 54 54 VAL N N 54 122.414 122.414 120.567 1.847 17843
674 1 3 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.748 0.493 17843
675 1 3 . 1 1 54 54 VAL C C 54 179.601 179.601 177.299 2.302 17843
676 1 3 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.154 -2.486 17843
677 1 3 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.100 0.716 17843
678 1 3 . 1 1 54 54 VAL H H 54 8.069 8.069 7.855 0.214 17843
679 1 3 . 1 1 55 55 THR N N 55 118.343 118.343 108.984 9.359 17843
680 1 3 . 1 1 55 55 THR HA H 55 4.126 4.126 4.236 -0.110 17843
681 1 3 . 1 1 55 55 THR C C 55 173.658 173.658 175.122 -1.464 17843
682 1 3 . 1 1 55 55 THR CA C 55 61.819 61.819 61.750 0.069 17843
683 1 3 . 1 1 55 55 THR CB C 55 70.154 70.154 69.166 0.988 17843
684 1 3 . 1 1 55 55 THR H H 55 8.189 8.189 7.826 0.363 17843
685 1 4 . 1 1 2 2 THR N N 2 128.406 128.406 117.367 11.039 17843
686 1 4 . 1 1 2 2 THR HA H 2 4.338 4.338 4.012 0.326 17843
687 1 4 . 1 1 2 2 THR C C 2 176.278 176.278 174.493 1.785 17843
688 1 4 . 1 1 2 2 THR H H 2 7.964 7.964 7.981 -0.017 17843
689 1 4 . 1 1 3 3 TYR N N 3 124.128 124.128 116.710 7.418 17843
690 1 4 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.559 -0.357 17843
691 1 4 . 1 1 3 3 TYR C C 3 175.400 175.400 177.290 -1.890 17843
692 1 4 . 1 1 3 3 TYR CA C 3 58.072 58.072 58.889 -0.818 17843
693 1 4 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.208 0.638 17843
694 1 4 . 1 1 3 3 TYR H H 3 8.369 8.369 8.189 0.180 17843
695 1 4 . 1 1 4 4 LYS N N 4 123.685 123.685 117.934 5.751 17843
696 1 4 . 1 1 4 4 LYS HA H 4 4.113 4.113 2.727 1.386 17843
697 1 4 . 1 1 4 4 LYS C C 4 175.956 175.956 176.588 -0.632 17843
698 1 4 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.584 -1.449 17843
699 1 4 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.087 1.671 17843
700 1 4 . 1 1 4 4 LYS H H 4 8.012 8.012 7.970 0.042 17843
701 1 4 . 1 1 5 5 LEU N N 5 122.275 122.275 117.345 4.930 17843
702 1 4 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.083 0.093 17843
703 1 4 . 1 1 5 5 LEU C C 5 176.937 176.937 176.727 0.210 17843
704 1 4 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.376 1.144 17843
705 1 4 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.654 -0.646 17843
706 1 4 . 1 1 5 5 LEU H H 5 7.929 7.929 7.352 0.577 17843
707 1 4 . 1 1 6 6 ILE N N 6 123.581 123.581 120.496 3.085 17843
708 1 4 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.186 0.029 17843
709 1 4 . 1 1 6 6 ILE C C 6 176.732 176.732 176.324 0.408 17843
710 1 4 . 1 1 6 6 ILE CA C 6 60.992 60.992 61.387 -0.395 17843
711 1 4 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.134 0.478 17843
712 1 4 . 1 1 6 6 ILE H H 6 8.116 8.116 7.455 0.661 17843
713 1 4 . 1 1 7 7 LEU N N 7 125.222 125.222 127.942 -2.720 17843
714 1 4 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.422 -0.310 17843
715 1 4 . 1 1 7 7 LEU C C 7 177.405 177.405 176.490 0.915 17843
716 1 4 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.019 -0.478 17843
717 1 4 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.380 0.213 17843
718 1 4 . 1 1 7 7 LEU H H 7 8.034 8.034 8.594 -0.560 17843
719 1 4 . 1 1 8 8 ASN N N 8 118.212 118.212 117.593 0.619 17843
720 1 4 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.652 -0.450 17843
721 1 4 . 1 1 8 8 ASN C C 8 174.463 174.463 176.193 -1.730 17843
722 1 4 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.026 0.047 17843
723 1 4 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.137 -0.349 17843
724 1 4 . 1 1 8 8 ASN H H 8 8.127 8.127 7.539 0.588 17843
725 1 4 . 1 1 9 9 LEU N N 9 122.727 122.727 129.097 -6.370 17843
726 1 4 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.010 0.217 17843
727 1 4 . 1 1 9 9 LEU C C 9 177.595 177.595 177.865 -0.270 17843
728 1 4 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.178 0.431 17843
729 1 4 . 1 1 9 9 LEU H H 9 8.204 8.204 8.881 -0.677 17843
730 1 4 . 1 1 10 10 LYS N N 10 118.199 118.199 118.737 -0.538 17843
731 1 4 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.775 0.236 17843
732 1 4 . 1 1 10 10 LYS H H 10 7.952 7.952 7.876 0.076 17843
733 1 4 . 1 1 11 11 GLN N N 11 117.600 117.600 119.155 -1.555 17843
734 1 4 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.024 -0.040 17843
735 1 4 . 1 1 11 11 GLN C C 11 179.161 179.161 178.022 1.139 17843
736 1 4 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.582 -1.646 17843
737 1 4 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.339 1.550 17843
738 1 4 . 1 1 11 11 GLN H H 11 7.586 7.586 8.559 -0.973 17843
739 1 4 . 1 1 12 12 ALA N N 12 122.858 122.858 121.418 1.440 17843
740 1 4 . 1 1 12 12 ALA HA H 12 4.011 4.011 3.835 0.176 17843
741 1 4 . 1 1 12 12 ALA C C 12 179.161 179.161 179.496 -0.335 17843
742 1 4 . 1 1 12 12 ALA CA C 12 56.000 56.000 54.807 1.193 17843
743 1 4 . 1 1 12 12 ALA H H 12 8.285 8.285 7.941 0.344 17843
744 1 4 . 1 1 13 13 LYS N N 13 116.783 116.783 119.722 -2.939 17843
745 1 4 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.879 0.118 17843
746 1 4 . 1 1 13 13 LYS C C 13 177.669 177.669 178.592 -0.923 17843
747 1 4 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.942 -0.440 17843
748 1 4 . 1 1 13 13 LYS H H 13 8.086 8.086 8.362 -0.276 17843
749 1 4 . 1 1 14 14 GLU N N 14 116.603 116.603 118.972 -2.369 17843
750 1 4 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.961 0.062 17843
751 1 4 . 1 1 14 14 GLU C C 14 180.113 180.113 179.253 0.860 17843
752 1 4 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.487 -0.732 17843
753 1 4 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.467 0.364 17843
754 1 4 . 1 1 14 14 GLU H H 14 7.533 7.533 8.035 -0.502 17843
755 1 4 . 1 1 15 15 GLU N N 15 119.346 119.346 119.038 0.308 17843
756 1 4 . 1 1 15 15 GLU HA H 15 4.036 4.036 3.971 0.065 17843
757 1 4 . 1 1 15 15 GLU C C 15 178.283 178.283 178.582 -0.299 17843
758 1 4 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.062 -2.008 17843
759 1 4 . 1 1 15 15 GLU CB C 15 29.948 29.948 28.813 1.135 17843
760 1 4 . 1 1 15 15 GLU H H 15 8.284 8.284 7.901 0.383 17843
761 1 4 . 1 1 16 16 ALA N N 16 122.070 122.070 121.912 0.158 17843
762 1 4 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.215 -0.192 17843
763 1 4 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.974 0.254 17843
764 1 4 . 1 1 16 16 ALA H H 16 8.338 8.338 7.764 0.574 17843
765 1 4 . 1 1 18 18 LYS C C 18 178.327 178.327 179.212 -0.885 17843
766 1 4 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.159 -2.579 17843
767 1 4 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.110 0.355 17843
768 1 4 . 1 1 19 19 GLU N N 19 118.876 118.876 119.537 -0.661 17843
769 1 4 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.244 -0.080 17843
770 1 4 . 1 1 19 19 GLU C C 19 178.210 178.210 179.292 -1.082 17843
771 1 4 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.884 -1.068 17843
772 1 4 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.477 0.120 17843
773 1 4 . 1 1 19 19 GLU H H 19 8.187 8.187 7.864 0.323 17843
774 1 4 . 1 1 20 20 LEU N N 20 120.207 120.207 120.586 -0.379 17843
775 1 4 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.048 0.052 17843
776 1 4 . 1 1 20 20 LEU C C 20 178.825 178.825 178.854 -0.029 17843
777 1 4 . 1 1 20 20 LEU CA C 20 57.555 57.555 57.786 -0.231 17843
778 1 4 . 1 1 20 20 LEU H H 20 7.957 7.957 7.918 0.039 17843
779 1 4 . 1 1 21 21 VAL N N 21 122.396 122.396 120.870 1.526 17843
780 1 4 . 1 1 21 21 VAL C C 21 177.830 177.830 178.205 -0.375 17843
781 1 4 . 1 1 21 21 VAL H H 21 8.807 8.807 7.974 0.833 17843
782 1 4 . 1 1 22 22 ASP N N 22 122.142 122.142 119.892 2.250 17843
783 1 4 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.448 -0.258 17843
784 1 4 . 1 1 22 22 ASP H H 22 8.146 8.146 8.097 0.049 17843
785 1 4 . 1 1 23 23 ALA C C 23 177.615 177.615 178.548 -0.933 17843
786 1 4 . 1 1 24 24 GLY N N 24 108.124 108.124 105.591 2.533 17843
787 1 4 . 1 1 24 24 GLY C C 24 174.273 174.273 174.224 0.049 17843
788 1 4 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.829 0.399 17843
789 1 4 . 1 1 24 24 GLY H H 24 8.015 8.015 7.780 0.235 17843
790 1 4 . 1 1 25 25 ILE N N 25 118.141 118.141 121.659 -3.518 17843
791 1 4 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.214 -0.242 17843
792 1 4 . 1 1 25 25 ILE C C 25 175.810 175.810 175.296 0.514 17843
793 1 4 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.529 -0.343 17843
794 1 4 . 1 1 25 25 ILE H H 25 7.776 7.776 8.174 -0.398 17843
795 1 4 . 1 1 26 26 ALA N N 26 127.540 127.540 130.837 -3.297 17843
796 1 4 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.062 0.025 17843
797 1 4 . 1 1 26 26 ALA C C 26 177.683 177.683 179.225 -1.542 17843
798 1 4 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.192 -0.418 17843
799 1 4 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.658 0.166 17843
800 1 4 . 1 1 26 26 ALA H H 26 8.316 8.316 8.485 -0.169 17843
801 1 4 . 1 1 27 27 GLU N N 27 120.829 120.829 118.598 2.231 17843
802 1 4 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.060 0.078 17843
803 1 4 . 1 1 27 27 GLU C C 27 176.322 176.322 178.117 -1.795 17843
804 1 4 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.896 -2.780 17843
805 1 4 . 1 1 27 27 GLU H H 27 8.188 8.188 8.556 -0.368 17843
806 1 4 . 1 1 28 28 LYS N N 28 116.307 116.307 116.577 -0.270 17843
807 1 4 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.173 -0.265 17843
808 1 4 . 1 1 28 28 LYS C C 28 177.464 177.464 178.663 -1.199 17843
809 1 4 . 1 1 28 28 LYS H H 28 8.018 8.018 8.134 -0.116 17843
810 1 4 . 1 1 29 29 TYR N N 29 117.013 117.013 120.739 -3.726 17843
811 1 4 . 1 1 29 29 TYR C C 29 177.595 177.595 176.220 1.375 17843
812 1 4 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.450 -1.821 17843
813 1 4 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.397 -0.253 17843
814 1 4 . 1 1 29 29 TYR H H 29 7.291 7.291 7.715 -0.424 17843
815 1 4 . 1 1 30 30 PHE N N 30 118.973 118.973 116.307 2.666 17843
816 1 4 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.419 -0.332 17843
817 1 4 . 1 1 30 30 PHE C C 30 177.083 177.083 176.773 0.310 17843
818 1 4 . 1 1 30 30 PHE CA C 30 57.933 57.933 58.878 -0.945 17843
819 1 4 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.802 4.250 17843
820 1 4 . 1 1 30 30 PHE H H 30 7.957 7.957 7.609 0.348 17843
821 1 4 . 1 1 31 31 LYS N N 31 118.711 118.711 120.273 -1.562 17843
822 1 4 . 1 1 31 31 LYS HA H 31 4.011 4.011 3.796 0.215 17843
823 1 4 . 1 1 31 31 LYS C C 31 177.449 177.449 178.586 -1.137 17843
824 1 4 . 1 1 31 31 LYS CA C 31 58.843 58.843 59.962 -1.119 17843
825 1 4 . 1 1 31 31 LYS H H 31 7.863 7.863 8.039 -0.176 17843
826 1 4 . 1 1 32 32 LEU N N 32 117.926 117.926 119.519 -1.593 17843
827 1 4 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.829 -0.011 17843
828 1 4 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.672 -0.560 17843
829 1 4 . 1 1 32 32 LEU H H 32 7.297 7.297 7.409 -0.112 17843
830 1 4 . 1 1 33 33 ILE N N 33 118.783 118.783 117.083 1.700 17843
831 1 4 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.798 0.187 17843
832 1 4 . 1 1 33 33 ILE CA C 33 61.814 61.814 64.560 -2.746 17843
833 1 4 . 1 1 33 33 ILE H H 33 7.709 7.709 7.234 0.475 17843
834 1 4 . 1 1 35 35 ASN C C 35 175.400 175.400 174.868 0.532 17843
835 1 4 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.856 -0.570 17843
836 1 4 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.668 0.237 17843
837 1 4 . 1 1 36 36 ALA N N 36 124.207 124.207 122.677 1.530 17843
838 1 4 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.231 0.726 17843
839 1 4 . 1 1 36 36 ALA CA C 36 53.501 53.501 53.006 0.495 17843
840 1 4 . 1 1 36 36 ALA H H 36 7.292 7.292 7.446 -0.154 17843
841 1 4 . 1 1 37 37 LYS C C 37 176.761 176.761 176.069 0.692 17843
842 1 4 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.386 -0.094 17843
843 1 4 . 1 1 38 38 THR N N 38 106.253 106.253 109.878 -3.625 17843
844 1 4 . 1 1 38 38 THR HA H 38 4.407 4.407 4.355 0.052 17843
845 1 4 . 1 1 38 38 THR C C 38 174.112 174.112 173.957 0.155 17843
846 1 4 . 1 1 38 38 THR H H 38 7.273 7.273 7.322 -0.049 17843
847 1 4 . 1 1 39 39 VAL N N 39 122.396 122.396 120.705 1.691 17843
848 1 4 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.549 0.423 17843
849 1 4 . 1 1 39 39 VAL C C 39 176.527 176.527 176.438 0.089 17843
850 1 4 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.425 3.126 17843
851 1 4 . 1 1 39 39 VAL H H 39 8.821 8.821 8.580 0.241 17843
852 1 4 . 1 1 40 40 GLU N N 40 117.771 117.771 118.821 -1.050 17843
853 1 4 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.400 0.521 17843
854 1 4 . 1 1 40 40 GLU C C 40 179.574 179.574 178.592 0.982 17843
855 1 4 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.284 0.810 17843
856 1 4 . 1 1 40 40 GLU H H 40 8.596 8.596 8.386 0.210 17843
857 1 4 . 1 1 41 41 GLY N N 41 108.656 108.656 107.999 0.657 17843
858 1 4 . 1 1 41 41 GLY C C 41 176.264 176.264 175.335 0.929 17843
859 1 4 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.714 -1.135 17843
860 1 4 . 1 1 41 41 GLY H H 41 7.945 7.945 7.800 0.145 17843
861 1 4 . 1 1 42 42 VAL N N 42 121.716 121.716 121.532 0.184 17843
862 1 4 . 1 1 42 42 VAL C C 42 177.273 177.273 177.669 -0.396 17843
863 1 4 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.018 0.714 17843
864 1 4 . 1 1 42 42 VAL H H 42 7.809 7.809 6.965 0.844 17843
865 1 4 . 1 1 43 43 TRP N N 43 118.909 118.909 119.633 -0.724 17843
866 1 4 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.419 -0.472 17843
867 1 4 . 1 1 43 43 TRP C C 43 178.781 178.781 178.738 0.043 17843
868 1 4 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.694 -0.090 17843
869 1 4 . 1 1 43 43 TRP H H 43 7.498 7.498 8.135 -0.637 17843
870 1 4 . 1 1 44 44 THR N N 44 116.154 116.154 115.923 0.231 17843
871 1 4 . 1 1 44 44 THR HA H 44 3.985 3.985 4.170 -0.185 17843
872 1 4 . 1 1 44 44 THR C C 44 177.639 177.639 176.873 0.766 17843
873 1 4 . 1 1 44 44 THR CA C 44 66.629 66.629 66.931 -0.302 17843
874 1 4 . 1 1 44 44 THR H H 44 8.157 8.157 7.747 0.410 17843
875 1 4 . 1 1 45 45 TYR N N 45 121.630 121.630 120.555 1.075 17843
876 1 4 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.358 -0.130 17843
877 1 4 . 1 1 45 45 TYR H H 45 8.066 8.066 7.903 0.163 17843
878 1 4 . 1 1 46 46 LYS N N 46 119.502 119.502 120.654 -1.152 17843
879 1 4 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.323 -0.704 17843
880 1 4 . 1 1 46 46 LYS H H 46 8.422 8.422 8.307 0.115 17843
881 1 4 . 1 1 47 47 ASP N N 47 117.441 117.441 119.152 -1.711 17843
882 1 4 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.526 -0.515 17843
883 1 4 . 1 1 47 47 ASP C C 47 174.917 174.917 178.947 -4.030 17843
884 1 4 . 1 1 47 47 ASP H H 47 7.446 7.446 7.886 -0.440 17843
885 1 4 . 1 1 48 48 GLU N N 48 121.387 121.387 119.974 1.413 17843
886 1 4 . 1 1 48 48 GLU HA H 48 3.959 3.959 4.137 -0.178 17843
887 1 4 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.634 1.263 17843
888 1 4 . 1 1 48 48 GLU H H 48 7.718 7.718 7.693 0.025 17843
889 1 4 . 1 1 50 50 LYS C C 50 176.922 176.922 178.698 -1.776 17843
890 1 4 . 1 1 51 51 THR N N 51 110.556 110.556 115.739 -5.183 17843
891 1 4 . 1 1 51 51 THR HA H 51 4.164 4.164 3.950 0.214 17843
892 1 4 . 1 1 51 51 THR C C 51 175.429 175.429 176.527 -1.098 17843
893 1 4 . 1 1 51 51 THR H H 51 7.510 7.510 7.761 -0.251 17843
894 1 4 . 1 1 52 52 PHE N N 52 121.424 121.424 119.948 1.476 17843
895 1 4 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.529 -0.787 17843
896 1 4 . 1 1 52 52 PHE C C 52 177.914 177.914 177.515 0.399 17843
897 1 4 . 1 1 52 52 PHE H H 52 7.574 7.574 7.434 0.140 17843
898 1 4 . 1 1 53 53 THR N N 53 114.075 114.075 116.385 -2.310 17843
899 1 4 . 1 1 53 53 THR C C 53 177.639 177.639 176.109 1.530 17843
900 1 4 . 1 1 53 53 THR H H 53 7.897 7.897 8.398 -0.501 17843
901 1 4 . 1 1 54 54 VAL N N 54 122.414 122.414 120.474 1.940 17843
902 1 4 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.760 0.481 17843
903 1 4 . 1 1 54 54 VAL C C 54 179.601 179.601 177.389 2.212 17843
904 1 4 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.450 -2.782 17843
905 1 4 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.005 0.811 17843
906 1 4 . 1 1 54 54 VAL H H 54 8.069 8.069 8.167 -0.098 17843
907 1 4 . 1 1 55 55 THR N N 55 118.343 118.343 114.958 3.385 17843
908 1 4 . 1 1 55 55 THR HA H 55 4.126 4.126 4.087 0.039 17843
909 1 4 . 1 1 55 55 THR C C 55 173.658 173.658 175.050 -1.392 17843
910 1 4 . 1 1 55 55 THR CA C 55 61.819 61.819 64.929 -3.110 17843
911 1 4 . 1 1 55 55 THR CB C 55 70.154 70.154 69.088 1.066 17843
912 1 4 . 1 1 55 55 THR H H 55 8.189 8.189 7.727 0.462 17843
913 1 5 . 1 1 2 2 THR N N 2 128.406 128.406 114.930 13.476 17843
914 1 5 . 1 1 2 2 THR HA H 2 4.338 4.338 4.428 -0.090 17843
915 1 5 . 1 1 2 2 THR C C 2 176.278 176.278 173.775 2.503 17843
916 1 5 . 1 1 2 2 THR H H 2 7.964 7.964 8.388 -0.424 17843
917 1 5 . 1 1 3 3 TYR N N 3 124.128 124.128 121.009 3.119 17843
918 1 5 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.642 -0.440 17843
919 1 5 . 1 1 3 3 TYR C C 3 175.400 175.400 175.749 -0.349 17843
920 1 5 . 1 1 3 3 TYR CA C 3 58.072 58.072 56.414 1.658 17843
921 1 5 . 1 1 3 3 TYR CB C 3 38.846 38.846 40.683 -1.837 17843
922 1 5 . 1 1 3 3 TYR H H 3 8.369 8.369 7.416 0.953 17843
923 1 5 . 1 1 4 4 LYS N N 4 123.685 123.685 118.821 4.864 17843
924 1 5 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.142 -0.029 17843
925 1 5 . 1 1 4 4 LYS C C 4 175.956 175.956 176.209 -0.253 17843
926 1 5 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.747 -1.612 17843
927 1 5 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.455 0.303 17843
928 1 5 . 1 1 4 4 LYS H H 4 8.012 8.012 8.367 -0.355 17843
929 1 5 . 1 1 5 5 LEU N N 5 122.275 122.275 120.481 1.794 17843
930 1 5 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.256 -0.080 17843
931 1 5 . 1 1 5 5 LEU C C 5 176.937 176.937 175.499 1.438 17843
932 1 5 . 1 1 5 5 LEU CA C 5 55.520 55.520 53.937 1.583 17843
933 1 5 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.474 -0.466 17843
934 1 5 . 1 1 5 5 LEU H H 5 7.929 7.929 7.242 0.687 17843
935 1 5 . 1 1 6 6 ILE N N 6 123.581 123.581 125.228 -1.647 17843
936 1 5 . 1 1 6 6 ILE HA H 6 4.215 4.215 3.922 0.293 17843
937 1 5 . 1 1 6 6 ILE C C 6 176.732 176.732 176.403 0.329 17843
938 1 5 . 1 1 6 6 ILE CA C 6 60.992 60.992 62.307 -1.315 17843
939 1 5 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.031 0.581 17843
940 1 5 . 1 1 6 6 ILE H H 6 8.116 8.116 8.569 -0.453 17843
941 1 5 . 1 1 7 7 LEU N N 7 125.222 125.222 126.208 -0.986 17843
942 1 5 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.186 -0.074 17843
943 1 5 . 1 1 7 7 LEU C C 7 177.405 177.405 177.182 0.223 17843
944 1 5 . 1 1 7 7 LEU CA C 7 55.541 55.541 55.500 0.041 17843
945 1 5 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.243 0.350 17843
946 1 5 . 1 1 7 7 LEU H H 7 8.034 8.034 8.177 -0.143 17843
947 1 5 . 1 1 8 8 ASN N N 8 118.212 118.212 118.516 -0.304 17843
948 1 5 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.696 -0.494 17843
949 1 5 . 1 1 8 8 ASN C C 8 174.463 174.463 175.919 -1.456 17843
950 1 5 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.432 0.641 17843
951 1 5 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.091 -0.303 17843
952 1 5 . 1 1 8 8 ASN H H 8 8.127 8.127 7.593 0.534 17843
953 1 5 . 1 1 9 9 LEU N N 9 122.727 122.727 129.288 -6.561 17843
954 1 5 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.993 0.234 17843
955 1 5 . 1 1 9 9 LEU C C 9 177.595 177.595 177.842 -0.247 17843
956 1 5 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.721 0.888 17843
957 1 5 . 1 1 9 9 LEU H H 9 8.204 8.204 8.957 -0.753 17843
958 1 5 . 1 1 10 10 LYS N N 10 118.199 118.199 119.610 -1.411 17843
959 1 5 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.920 0.091 17843
960 1 5 . 1 1 10 10 LYS H H 10 7.952 7.952 8.335 -0.383 17843
961 1 5 . 1 1 11 11 GLN N N 11 117.600 117.600 117.450 0.150 17843
962 1 5 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.302 -0.318 17843
963 1 5 . 1 1 11 11 GLN C C 11 179.161 179.161 178.484 0.677 17843
964 1 5 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.976 -2.040 17843
965 1 5 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.576 1.313 17843
966 1 5 . 1 1 11 11 GLN H H 11 7.586 7.586 8.661 -1.075 17843
967 1 5 . 1 1 12 12 ALA N N 12 122.858 122.858 123.319 -0.461 17843
968 1 5 . 1 1 12 12 ALA HA H 12 4.011 4.011 3.965 0.046 17843
969 1 5 . 1 1 12 12 ALA C C 12 179.161 179.161 179.338 -0.177 17843
970 1 5 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.504 0.496 17843
971 1 5 . 1 1 12 12 ALA H H 12 8.285 8.285 8.661 -0.376 17843
972 1 5 . 1 1 13 13 LYS N N 13 116.783 116.783 118.875 -2.092 17843
973 1 5 . 1 1 13 13 LYS HA H 13 3.997 3.997 4.026 -0.029 17843
974 1 5 . 1 1 13 13 LYS C C 13 177.669 177.669 179.083 -1.414 17843
975 1 5 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.904 -0.402 17843
976 1 5 . 1 1 13 13 LYS H H 13 8.086 8.086 8.263 -0.177 17843
977 1 5 . 1 1 14 14 GLU N N 14 116.603 116.603 119.585 -2.982 17843
978 1 5 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.956 0.067 17843
979 1 5 . 1 1 14 14 GLU C C 14 180.113 180.113 179.049 1.064 17843
980 1 5 . 1 1 14 14 GLU CA C 14 58.755 58.755 60.026 -1.271 17843
981 1 5 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.526 0.305 17843
982 1 5 . 1 1 14 14 GLU H H 14 7.533 7.533 8.108 -0.575 17843
983 1 5 . 1 1 15 15 GLU N N 15 119.346 119.346 118.466 0.880 17843
984 1 5 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.200 -0.164 17843
985 1 5 . 1 1 15 15 GLU C C 15 178.283 178.283 178.919 -0.636 17843
986 1 5 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.600 -1.546 17843
987 1 5 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.290 0.658 17843
988 1 5 . 1 1 15 15 GLU H H 15 8.284 8.284 8.180 0.104 17843
989 1 5 . 1 1 16 16 ALA N N 16 122.070 122.070 123.194 -1.124 17843
990 1 5 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.195 -0.172 17843
991 1 5 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.877 0.351 17843
992 1 5 . 1 1 16 16 ALA H H 16 8.338 8.338 7.951 0.387 17843
993 1 5 . 1 1 18 18 LYS C C 18 178.327 178.327 179.188 -0.861 17843
994 1 5 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.210 -2.630 17843
995 1 5 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.050 0.415 17843
996 1 5 . 1 1 19 19 GLU N N 19 118.876 118.876 119.687 -0.811 17843
997 1 5 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.089 0.075 17843
998 1 5 . 1 1 19 19 GLU C C 19 178.210 178.210 179.174 -0.964 17843
999 1 5 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.253 -1.437 17843
1000 1 5 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.667 -0.070 17843
1001 1 5 . 1 1 19 19 GLU H H 19 8.187 8.187 7.807 0.380 17843
1002 1 5 . 1 1 20 20 LEU N N 20 120.207 120.207 120.921 -0.714 17843
1003 1 5 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.850 0.250 17843
1004 1 5 . 1 1 20 20 LEU C C 20 178.825 178.825 178.817 0.008 17843
1005 1 5 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.218 -0.663 17843
1006 1 5 . 1 1 20 20 LEU H H 20 7.957 7.957 8.301 -0.344 17843
1007 1 5 . 1 1 21 21 VAL N N 21 122.396 122.396 119.906 2.490 17843
1008 1 5 . 1 1 21 21 VAL C C 21 177.830 177.830 177.947 -0.117 17843
1009 1 5 . 1 1 21 21 VAL H H 21 8.807 8.807 8.406 0.401 17843
1010 1 5 . 1 1 22 22 ASP N N 22 122.142 122.142 119.644 2.498 17843
1011 1 5 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.379 -0.189 17843
1012 1 5 . 1 1 22 22 ASP H H 22 8.146 8.146 7.886 0.260 17843
1013 1 5 . 1 1 23 23 ALA C C 23 177.615 177.615 177.836 -0.221 17843
1014 1 5 . 1 1 24 24 GLY N N 24 108.124 108.124 105.525 2.599 17843
1015 1 5 . 1 1 24 24 GLY C C 24 174.273 174.273 174.616 -0.343 17843
1016 1 5 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.850 0.378 17843
1017 1 5 . 1 1 24 24 GLY H H 24 8.015 8.015 7.505 0.510 17843
1018 1 5 . 1 1 25 25 ILE N N 25 118.141 118.141 122.344 -4.203 17843
1019 1 5 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.109 -0.137 17843
1020 1 5 . 1 1 25 25 ILE C C 25 175.810 175.810 175.218 0.592 17843
1021 1 5 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.165 -1.980 17843
1022 1 5 . 1 1 25 25 ILE H H 25 7.776 7.776 8.266 -0.490 17843
1023 1 5 . 1 1 26 26 ALA N N 26 127.540 127.540 129.766 -2.226 17843
1024 1 5 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.337 -0.250 17843
1025 1 5 . 1 1 26 26 ALA C C 26 177.683 177.683 178.876 -1.193 17843
1026 1 5 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.411 -0.637 17843
1027 1 5 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.745 0.079 17843
1028 1 5 . 1 1 26 26 ALA H H 26 8.316 8.316 8.176 0.140 17843
1029 1 5 . 1 1 27 27 GLU N N 27 120.829 120.829 118.147 2.682 17843
1030 1 5 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.013 0.125 17843
1031 1 5 . 1 1 27 27 GLU C C 27 176.322 176.322 178.408 -2.086 17843
1032 1 5 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.371 -2.255 17843
1033 1 5 . 1 1 27 27 GLU H H 27 8.188 8.188 8.631 -0.443 17843
1034 1 5 . 1 1 28 28 LYS N N 28 116.307 116.307 118.034 -1.727 17843
1035 1 5 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.056 -0.148 17843
1036 1 5 . 1 1 28 28 LYS C C 28 177.464 177.464 179.137 -1.673 17843
1037 1 5 . 1 1 28 28 LYS H H 28 8.018 8.018 7.692 0.326 17843
1038 1 5 . 1 1 29 29 TYR N N 29 117.013 117.013 117.456 -0.443 17843
1039 1 5 . 1 1 29 29 TYR C C 29 177.595 177.595 175.435 2.160 17843
1040 1 5 . 1 1 29 29 TYR CA C 29 59.629 59.629 59.945 -0.316 17843
1041 1 5 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.109 0.035 17843
1042 1 5 . 1 1 29 29 TYR H H 29 7.291 7.291 7.616 -0.325 17843
1043 1 5 . 1 1 30 30 PHE N N 30 118.973 118.973 117.993 0.980 17843
1044 1 5 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.235 -0.148 17843
1045 1 5 . 1 1 30 30 PHE C C 30 177.083 177.083 175.966 1.117 17843
1046 1 5 . 1 1 30 30 PHE CA C 30 57.933 57.933 58.392 -0.459 17843
1047 1 5 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.744 4.308 17843
1048 1 5 . 1 1 30 30 PHE H H 30 7.957 7.957 7.033 0.924 17843
1049 1 5 . 1 1 31 31 LYS N N 31 118.711 118.711 118.064 0.647 17843
1050 1 5 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.070 -0.059 17843
1051 1 5 . 1 1 31 31 LYS C C 31 177.449 177.449 177.784 -0.335 17843
1052 1 5 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.189 0.654 17843
1053 1 5 . 1 1 31 31 LYS H H 31 7.863 7.863 7.643 0.220 17843
1054 1 5 . 1 1 32 32 LEU N N 32 117.926 117.926 120.882 -2.956 17843
1055 1 5 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.999 -0.181 17843
1056 1 5 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.704 -0.592 17843
1057 1 5 . 1 1 32 32 LEU H H 32 7.297 7.297 7.564 -0.267 17843
1058 1 5 . 1 1 33 33 ILE N N 33 118.783 118.783 119.410 -0.627 17843
1059 1 5 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.903 0.082 17843
1060 1 5 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.306 -1.492 17843
1061 1 5 . 1 1 33 33 ILE H H 33 7.709 7.709 8.344 -0.635 17843
1062 1 5 . 1 1 35 35 ASN C C 35 175.400 175.400 174.570 0.830 17843
1063 1 5 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.057 0.229 17843
1064 1 5 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.949 -0.044 17843
1065 1 5 . 1 1 36 36 ALA N N 36 124.207 124.207 122.909 1.298 17843
1066 1 5 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.308 0.649 17843
1067 1 5 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.814 0.687 17843
1068 1 5 . 1 1 36 36 ALA H H 36 7.292 7.292 7.218 0.074 17843
1069 1 5 . 1 1 37 37 LYS C C 37 176.761 176.761 176.058 0.703 17843
1070 1 5 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.840 -0.548 17843
1071 1 5 . 1 1 38 38 THR N N 38 106.253 106.253 111.923 -5.670 17843
1072 1 5 . 1 1 38 38 THR HA H 38 4.407 4.407 4.442 -0.035 17843
1073 1 5 . 1 1 38 38 THR C C 38 174.112 174.112 173.926 0.186 17843
1074 1 5 . 1 1 38 38 THR H H 38 7.273 7.273 7.368 -0.095 17843
1075 1 5 . 1 1 39 39 VAL N N 39 122.396 122.396 120.146 2.250 17843
1076 1 5 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.910 0.062 17843
1077 1 5 . 1 1 39 39 VAL C C 39 176.527 176.527 176.676 -0.149 17843
1078 1 5 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.646 2.905 17843
1079 1 5 . 1 1 39 39 VAL H H 39 8.821 8.821 8.712 0.109 17843
1080 1 5 . 1 1 40 40 GLU N N 40 117.771 117.771 121.328 -3.557 17843
1081 1 5 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.025 -0.104 17843
1082 1 5 . 1 1 40 40 GLU C C 40 179.574 179.574 178.988 0.586 17843
1083 1 5 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.296 0.798 17843
1084 1 5 . 1 1 40 40 GLU H H 40 8.596 8.596 7.728 0.868 17843
1085 1 5 . 1 1 41 41 GLY N N 41 108.656 108.656 107.751 0.905 17843
1086 1 5 . 1 1 41 41 GLY C C 41 176.264 176.264 175.356 0.908 17843
1087 1 5 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.442 -0.863 17843
1088 1 5 . 1 1 41 41 GLY H H 41 7.945 7.945 7.568 0.377 17843
1089 1 5 . 1 1 42 42 VAL N N 42 121.716 121.716 121.652 0.064 17843
1090 1 5 . 1 1 42 42 VAL C C 42 177.273 177.273 177.134 0.139 17843
1091 1 5 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.002 0.730 17843
1092 1 5 . 1 1 42 42 VAL H H 42 7.809 7.809 7.175 0.634 17843
1093 1 5 . 1 1 43 43 TRP N N 43 118.909 118.909 121.161 -2.252 17843
1094 1 5 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.295 -0.348 17843
1095 1 5 . 1 1 43 43 TRP C C 43 178.781 178.781 177.769 1.012 17843
1096 1 5 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.681 -1.077 17843
1097 1 5 . 1 1 43 43 TRP H H 43 7.498 7.498 8.301 -0.803 17843
1098 1 5 . 1 1 44 44 THR N N 44 116.154 116.154 115.879 0.275 17843
1099 1 5 . 1 1 44 44 THR HA H 44 3.985 3.985 3.976 0.009 17843
1100 1 5 . 1 1 44 44 THR C C 44 177.639 177.639 176.719 0.920 17843
1101 1 5 . 1 1 44 44 THR CA C 44 66.629 66.629 66.904 -0.275 17843
1102 1 5 . 1 1 44 44 THR H H 44 8.157 8.157 7.750 0.407 17843
1103 1 5 . 1 1 45 45 TYR N N 45 121.630 121.630 119.747 1.883 17843
1104 1 5 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.342 -0.114 17843
1105 1 5 . 1 1 45 45 TYR H H 45 8.066 8.066 8.071 -0.005 17843
1106 1 5 . 1 1 46 46 LYS N N 46 119.502 119.502 121.140 -1.638 17843
1107 1 5 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.682 -0.063 17843
1108 1 5 . 1 1 46 46 LYS H H 46 8.422 8.422 7.710 0.712 17843
1109 1 5 . 1 1 47 47 ASP N N 47 117.441 117.441 119.608 -2.167 17843
1110 1 5 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.315 -0.304 17843
1111 1 5 . 1 1 47 47 ASP C C 47 174.917 174.917 178.805 -3.888 17843
1112 1 5 . 1 1 47 47 ASP H H 47 7.446 7.446 7.744 -0.298 17843
1113 1 5 . 1 1 48 48 GLU N N 48 121.387 121.387 120.173 1.214 17843
1114 1 5 . 1 1 48 48 GLU HA H 48 3.959 3.959 4.163 -0.204 17843
1115 1 5 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.837 1.060 17843
1116 1 5 . 1 1 48 48 GLU H H 48 7.718 7.718 7.917 -0.199 17843
1117 1 5 . 1 1 50 50 LYS C C 50 176.922 176.922 179.181 -2.259 17843
1118 1 5 . 1 1 51 51 THR N N 51 110.556 110.556 112.110 -1.554 17843
1119 1 5 . 1 1 51 51 THR HA H 51 4.164 4.164 4.278 -0.114 17843
1120 1 5 . 1 1 51 51 THR C C 51 175.429 175.429 175.976 -0.547 17843
1121 1 5 . 1 1 51 51 THR H H 51 7.510 7.510 7.833 -0.323 17843
1122 1 5 . 1 1 52 52 PHE N N 52 121.424 121.424 124.300 -2.876 17843
1123 1 5 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.446 -0.704 17843
1124 1 5 . 1 1 52 52 PHE C C 52 177.914 177.914 176.882 1.032 17843
1125 1 5 . 1 1 52 52 PHE H H 52 7.574 7.574 8.130 -0.556 17843
1126 1 5 . 1 1 53 53 THR N N 53 114.075 114.075 111.149 2.926 17843
1127 1 5 . 1 1 53 53 THR C C 53 177.639 177.639 175.901 1.738 17843
1128 1 5 . 1 1 53 53 THR H H 53 7.897 7.897 8.053 -0.156 17843
1129 1 5 . 1 1 54 54 VAL N N 54 122.414 122.414 121.475 0.939 17843
1130 1 5 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.875 0.366 17843
1131 1 5 . 1 1 54 54 VAL C C 54 179.601 179.601 177.296 2.305 17843
1132 1 5 . 1 1 54 54 VAL CA C 54 62.668 62.668 64.910 -2.242 17843
1133 1 5 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.093 0.724 17843
1134 1 5 . 1 1 54 54 VAL H H 54 8.069 8.069 7.714 0.355 17843
1135 1 5 . 1 1 55 55 THR N N 55 118.343 118.343 108.915 9.428 17843
1136 1 5 . 1 1 55 55 THR HA H 55 4.126 4.126 4.260 -0.134 17843
1137 1 5 . 1 1 55 55 THR C C 55 173.658 173.658 174.857 -1.199 17843
1138 1 5 . 1 1 55 55 THR CA C 55 61.819 61.819 61.848 -0.029 17843
1139 1 5 . 1 1 55 55 THR CB C 55 70.154 70.154 69.122 1.032 17843
1140 1 5 . 1 1 55 55 THR H H 55 8.189 8.189 7.547 0.642 17843
1141 1 6 . 1 1 2 2 THR N N 2 128.406 128.406 111.387 17.019 17843
1142 1 6 . 1 1 2 2 THR HA H 2 4.338 4.338 4.248 0.090 17843
1143 1 6 . 1 1 2 2 THR C C 2 176.278 176.278 175.775 0.503 17843
1144 1 6 . 1 1 2 2 THR H H 2 7.964 7.964 8.478 -0.514 17843
1145 1 6 . 1 1 3 3 TYR N N 3 124.128 124.128 123.421 0.707 17843
1146 1 6 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.027 0.175 17843
1147 1 6 . 1 1 3 3 TYR C C 3 175.400 175.400 176.318 -0.918 17843
1148 1 6 . 1 1 3 3 TYR CA C 3 58.072 58.072 61.907 -3.835 17843
1149 1 6 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.539 0.307 17843
1150 1 6 . 1 1 3 3 TYR H H 3 8.369 8.369 7.725 0.644 17843
1151 1 6 . 1 1 4 4 LYS N N 4 123.685 123.685 115.194 8.491 17843
1152 1 6 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.942 0.171 17843
1153 1 6 . 1 1 4 4 LYS C C 4 175.956 175.956 177.722 -1.766 17843
1154 1 6 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.936 -1.801 17843
1155 1 6 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.499 0.259 17843
1156 1 6 . 1 1 4 4 LYS H H 4 8.012 8.012 8.152 -0.140 17843
1157 1 6 . 1 1 5 5 LEU N N 5 122.275 122.275 118.136 4.139 17843
1158 1 6 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.116 0.060 17843
1159 1 6 . 1 1 5 5 LEU C C 5 176.937 176.937 177.564 -0.627 17843
1160 1 6 . 1 1 5 5 LEU CA C 5 55.520 55.520 56.285 -0.765 17843
1161 1 6 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.837 -0.829 17843
1162 1 6 . 1 1 5 5 LEU H H 5 7.929 7.929 7.291 0.638 17843
1163 1 6 . 1 1 6 6 ILE N N 6 123.581 123.581 118.080 5.501 17843
1164 1 6 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.188 0.027 17843
1165 1 6 . 1 1 6 6 ILE C C 6 176.732 176.732 175.643 1.089 17843
1166 1 6 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.281 0.711 17843
1167 1 6 . 1 1 6 6 ILE CB C 6 38.612 38.612 39.118 -0.506 17843
1168 1 6 . 1 1 6 6 ILE H H 6 8.116 8.116 7.919 0.197 17843
1169 1 6 . 1 1 7 7 LEU N N 7 125.222 125.222 128.425 -3.203 17843
1170 1 6 . 1 1 7 7 LEU HA H 7 4.112 4.112 3.911 0.201 17843
1171 1 6 . 1 1 7 7 LEU C C 7 177.405 177.405 178.327 -0.922 17843
1172 1 6 . 1 1 7 7 LEU CA C 7 55.541 55.541 57.940 -2.398 17843
1173 1 6 . 1 1 7 7 LEU CB C 7 42.593 42.593 41.684 0.909 17843
1174 1 6 . 1 1 7 7 LEU H H 7 8.034 8.034 8.737 -0.703 17843
1175 1 6 . 1 1 8 8 ASN N N 8 118.212 118.212 117.160 1.052 17843
1176 1 6 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.478 -0.276 17843
1177 1 6 . 1 1 8 8 ASN C C 8 174.463 174.463 177.666 -3.203 17843
1178 1 6 . 1 1 8 8 ASN CA C 8 53.073 53.073 55.972 -2.899 17843
1179 1 6 . 1 1 8 8 ASN CB C 8 38.788 38.788 37.593 1.195 17843
1180 1 6 . 1 1 8 8 ASN H H 8 8.127 8.127 8.595 -0.468 17843
1181 1 6 . 1 1 9 9 LEU N N 9 122.727 122.727 120.632 2.095 17843
1182 1 6 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.066 0.161 17843
1183 1 6 . 1 1 9 9 LEU C C 9 177.595 177.595 178.286 -0.691 17843
1184 1 6 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.372 1.237 17843
1185 1 6 . 1 1 9 9 LEU H H 9 8.204 8.204 7.607 0.597 17843
1186 1 6 . 1 1 10 10 LYS N N 10 118.199 118.199 119.833 -1.634 17843
1187 1 6 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.875 0.136 17843
1188 1 6 . 1 1 10 10 LYS H H 10 7.952 7.952 7.316 0.636 17843
1189 1 6 . 1 1 11 11 GLN N N 11 117.600 117.600 118.657 -1.057 17843
1190 1 6 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.109 -0.125 17843
1191 1 6 . 1 1 11 11 GLN C C 11 179.161 179.161 178.417 0.744 17843
1192 1 6 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.686 -1.750 17843
1193 1 6 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.736 1.153 17843
1194 1 6 . 1 1 11 11 GLN H H 11 7.586 7.586 7.789 -0.203 17843
1195 1 6 . 1 1 12 12 ALA N N 12 122.858 122.858 122.885 -0.027 17843
1196 1 6 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.193 -0.182 17843
1197 1 6 . 1 1 12 12 ALA C C 12 179.161 179.161 179.101 0.060 17843
1198 1 6 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.041 0.959 17843
1199 1 6 . 1 1 12 12 ALA H H 12 8.285 8.285 8.193 0.092 17843
1200 1 6 . 1 1 13 13 LYS N N 13 116.783 116.783 118.981 -2.198 17843
1201 1 6 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.938 0.059 17843
1202 1 6 . 1 1 13 13 LYS C C 13 177.669 177.669 178.748 -1.079 17843
1203 1 6 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.911 -0.409 17843
1204 1 6 . 1 1 13 13 LYS H H 13 8.086 8.086 8.010 0.076 17843
1205 1 6 . 1 1 14 14 GLU N N 14 116.603 116.603 118.795 -2.192 17843
1206 1 6 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.987 0.036 17843
1207 1 6 . 1 1 14 14 GLU C C 14 180.113 180.113 179.154 0.959 17843
1208 1 6 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.588 -0.833 17843
1209 1 6 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.443 0.388 17843
1210 1 6 . 1 1 14 14 GLU H H 14 7.533 7.533 7.879 -0.346 17843
1211 1 6 . 1 1 15 15 GLU N N 15 119.346 119.346 119.792 -0.446 17843
1212 1 6 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.022 0.014 17843
1213 1 6 . 1 1 15 15 GLU C C 15 178.283 178.283 178.963 -0.680 17843
1214 1 6 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.447 -2.393 17843
1215 1 6 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.583 0.365 17843
1216 1 6 . 1 1 15 15 GLU H H 15 8.284 8.284 8.053 0.231 17843
1217 1 6 . 1 1 16 16 ALA N N 16 122.070 122.070 122.069 0.001 17843
1218 1 6 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.187 -0.164 17843
1219 1 6 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.908 0.320 17843
1220 1 6 . 1 1 16 16 ALA H H 16 8.338 8.338 7.742 0.596 17843
1221 1 6 . 1 1 18 18 LYS C C 18 178.327 178.327 179.206 -0.879 17843
1222 1 6 . 1 1 18 18 LYS CA C 18 57.580 57.580 59.949 -2.369 17843
1223 1 6 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.118 0.347 17843
1224 1 6 . 1 1 19 19 GLU N N 19 118.876 118.876 119.947 -1.071 17843
1225 1 6 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.235 -0.071 17843
1226 1 6 . 1 1 19 19 GLU C C 19 178.210 178.210 179.224 -1.014 17843
1227 1 6 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.588 -0.772 17843
1228 1 6 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.428 0.169 17843
1229 1 6 . 1 1 19 19 GLU H H 19 8.187 8.187 7.953 0.234 17843
1230 1 6 . 1 1 20 20 LEU N N 20 120.207 120.207 121.067 -0.860 17843
1231 1 6 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.084 0.016 17843
1232 1 6 . 1 1 20 20 LEU C C 20 178.825 178.825 178.837 -0.012 17843
1233 1 6 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.063 -0.508 17843
1234 1 6 . 1 1 20 20 LEU H H 20 7.957 7.957 8.388 -0.431 17843
1235 1 6 . 1 1 21 21 VAL N N 21 122.396 122.396 120.229 2.167 17843
1236 1 6 . 1 1 21 21 VAL C C 21 177.830 177.830 178.194 -0.364 17843
1237 1 6 . 1 1 21 21 VAL H H 21 8.807 8.807 7.850 0.957 17843
1238 1 6 . 1 1 22 22 ASP N N 22 122.142 122.142 119.651 2.491 17843
1239 1 6 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.452 -0.262 17843
1240 1 6 . 1 1 22 22 ASP H H 22 8.146 8.146 8.092 0.054 17843
1241 1 6 . 1 1 23 23 ALA C C 23 177.615 177.615 178.312 -0.697 17843
1242 1 6 . 1 1 24 24 GLY N N 24 108.124 108.124 106.135 1.989 17843
1243 1 6 . 1 1 24 24 GLY C C 24 174.273 174.273 174.431 -0.158 17843
1244 1 6 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.984 0.244 17843
1245 1 6 . 1 1 24 24 GLY H H 24 8.015 8.015 7.873 0.142 17843
1246 1 6 . 1 1 25 25 ILE N N 25 118.141 118.141 121.687 -3.546 17843
1247 1 6 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.278 -0.306 17843
1248 1 6 . 1 1 25 25 ILE C C 25 175.810 175.810 175.342 0.468 17843
1249 1 6 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.583 -0.398 17843
1250 1 6 . 1 1 25 25 ILE H H 25 7.776 7.776 7.878 -0.102 17843
1251 1 6 . 1 1 26 26 ALA N N 26 127.540 127.540 130.924 -3.384 17843
1252 1 6 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.009 0.078 17843
1253 1 6 . 1 1 26 26 ALA C C 26 177.683 177.683 179.198 -1.515 17843
1254 1 6 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.272 -0.498 17843
1255 1 6 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.757 0.067 17843
1256 1 6 . 1 1 26 26 ALA H H 26 8.316 8.316 8.517 -0.201 17843
1257 1 6 . 1 1 27 27 GLU N N 27 120.829 120.829 118.499 2.330 17843
1258 1 6 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.142 -0.004 17843
1259 1 6 . 1 1 27 27 GLU C C 27 176.322 176.322 178.393 -2.071 17843
1260 1 6 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.906 -2.790 17843
1261 1 6 . 1 1 27 27 GLU H H 27 8.188 8.188 8.534 -0.346 17843
1262 1 6 . 1 1 28 28 LYS N N 28 116.307 116.307 117.141 -0.834 17843
1263 1 6 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.146 -0.238 17843
1264 1 6 . 1 1 28 28 LYS C C 28 177.464 177.464 178.539 -1.075 17843
1265 1 6 . 1 1 28 28 LYS H H 28 8.018 8.018 8.218 -0.200 17843
1266 1 6 . 1 1 29 29 TYR N N 29 117.013 117.013 119.394 -2.381 17843
1267 1 6 . 1 1 29 29 TYR C C 29 177.595 177.595 175.497 2.098 17843
1268 1 6 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.171 -1.542 17843
1269 1 6 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.099 0.045 17843
1270 1 6 . 1 1 29 29 TYR H H 29 7.291 7.291 7.626 -0.335 17843
1271 1 6 . 1 1 30 30 PHE N N 30 118.973 118.973 114.078 4.895 17843
1272 1 6 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.436 -0.349 17843
1273 1 6 . 1 1 30 30 PHE C C 30 177.083 177.083 176.441 0.642 17843
1274 1 6 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.562 -1.629 17843
1275 1 6 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.269 4.783 17843
1276 1 6 . 1 1 30 30 PHE H H 30 7.957 7.957 7.407 0.550 17843
1277 1 6 . 1 1 31 31 LYS N N 31 118.711 118.711 118.355 0.356 17843
1278 1 6 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.209 -0.198 17843
1279 1 6 . 1 1 31 31 LYS C C 31 177.449 177.449 177.647 -0.198 17843
1280 1 6 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.399 0.444 17843
1281 1 6 . 1 1 31 31 LYS H H 31 7.863 7.863 8.058 -0.195 17843
1282 1 6 . 1 1 32 32 LEU N N 32 117.926 117.926 120.935 -3.009 17843
1283 1 6 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.860 -0.042 17843
1284 1 6 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.587 -0.475 17843
1285 1 6 . 1 1 32 32 LEU H H 32 7.297 7.297 7.602 -0.305 17843
1286 1 6 . 1 1 33 33 ILE N N 33 118.783 118.783 119.500 -0.717 17843
1287 1 6 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.729 0.256 17843
1288 1 6 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.031 -0.217 17843
1289 1 6 . 1 1 33 33 ILE H H 33 7.709 7.709 7.609 0.100 17843
1290 1 6 . 1 1 35 35 ASN C C 35 175.400 175.400 174.402 0.998 17843
1291 1 6 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.311 -0.025 17843
1292 1 6 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.547 0.357 17843
1293 1 6 . 1 1 36 36 ALA N N 36 124.207 124.207 123.845 0.362 17843
1294 1 6 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.240 0.717 17843
1295 1 6 . 1 1 36 36 ALA CA C 36 53.501 53.501 53.321 0.180 17843
1296 1 6 . 1 1 36 36 ALA H H 36 7.292 7.292 7.372 -0.080 17843
1297 1 6 . 1 1 37 37 LYS C C 37 176.761 176.761 176.036 0.725 17843
1298 1 6 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.171 -0.879 17843
1299 1 6 . 1 1 38 38 THR N N 38 106.253 106.253 109.512 -3.259 17843
1300 1 6 . 1 1 38 38 THR HA H 38 4.407 4.407 4.539 -0.132 17843
1301 1 6 . 1 1 38 38 THR C C 38 174.112 174.112 175.378 -1.266 17843
1302 1 6 . 1 1 38 38 THR H H 38 7.273 7.273 7.365 -0.092 17843
1303 1 6 . 1 1 39 39 VAL N N 39 122.396 122.396 121.204 1.192 17843
1304 1 6 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.368 0.604 17843
1305 1 6 . 1 1 39 39 VAL C C 39 176.527 176.527 175.961 0.566 17843
1306 1 6 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.847 2.704 17843
1307 1 6 . 1 1 39 39 VAL H H 39 8.821 8.821 8.253 0.568 17843
1308 1 6 . 1 1 40 40 GLU N N 40 117.771 117.771 119.055 -1.284 17843
1309 1 6 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.988 -0.067 17843
1310 1 6 . 1 1 40 40 GLU C C 40 179.574 179.574 178.626 0.948 17843
1311 1 6 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.151 0.943 17843
1312 1 6 . 1 1 40 40 GLU H H 40 8.596 8.596 7.961 0.635 17843
1313 1 6 . 1 1 41 41 GLY N N 41 108.656 108.656 108.459 0.197 17843
1314 1 6 . 1 1 41 41 GLY C C 41 176.264 176.264 175.449 0.815 17843
1315 1 6 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.731 -1.152 17843
1316 1 6 . 1 1 41 41 GLY H H 41 7.945 7.945 7.999 -0.054 17843
1317 1 6 . 1 1 42 42 VAL N N 42 121.716 121.716 121.309 0.407 17843
1318 1 6 . 1 1 42 42 VAL C C 42 177.273 177.273 177.599 -0.326 17843
1319 1 6 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.909 0.823 17843
1320 1 6 . 1 1 42 42 VAL H H 42 7.809 7.809 7.613 0.196 17843
1321 1 6 . 1 1 43 43 TRP N N 43 118.909 118.909 120.159 -1.250 17843
1322 1 6 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.437 -0.490 17843
1323 1 6 . 1 1 43 43 TRP C C 43 178.781 178.781 178.894 -0.113 17843
1324 1 6 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.729 -0.125 17843
1325 1 6 . 1 1 43 43 TRP H H 43 7.498 7.498 8.095 -0.597 17843
1326 1 6 . 1 1 44 44 THR N N 44 116.154 116.154 116.934 -0.780 17843
1327 1 6 . 1 1 44 44 THR HA H 44 3.985 3.985 4.089 -0.104 17843
1328 1 6 . 1 1 44 44 THR C C 44 177.639 177.639 176.904 0.735 17843
1329 1 6 . 1 1 44 44 THR CA C 44 66.629 66.629 66.990 -0.361 17843
1330 1 6 . 1 1 44 44 THR H H 44 8.157 8.157 8.236 -0.079 17843
1331 1 6 . 1 1 45 45 TYR N N 45 121.630 121.630 120.293 1.337 17843
1332 1 6 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.241 -0.013 17843
1333 1 6 . 1 1 45 45 TYR H H 45 8.066 8.066 7.939 0.127 17843
1334 1 6 . 1 1 46 46 LYS N N 46 119.502 119.502 120.057 -0.555 17843
1335 1 6 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.190 -0.571 17843
1336 1 6 . 1 1 46 46 LYS H H 46 8.422 8.422 8.340 0.082 17843
1337 1 6 . 1 1 47 47 ASP N N 47 117.441 117.441 120.076 -2.635 17843
1338 1 6 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.407 -0.396 17843
1339 1 6 . 1 1 47 47 ASP C C 47 174.917 174.917 178.802 -3.885 17843
1340 1 6 . 1 1 47 47 ASP H H 47 7.446 7.446 8.243 -0.797 17843
1341 1 6 . 1 1 48 48 GLU N N 48 121.387 121.387 119.385 2.002 17843
1342 1 6 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.897 0.062 17843
1343 1 6 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.112 1.785 17843
1344 1 6 . 1 1 48 48 GLU H H 48 7.718 7.718 7.746 -0.028 17843
1345 1 6 . 1 1 50 50 LYS C C 50 176.922 176.922 178.726 -1.804 17843
1346 1 6 . 1 1 51 51 THR N N 51 110.556 110.556 115.294 -4.738 17843
1347 1 6 . 1 1 51 51 THR HA H 51 4.164 4.164 4.131 0.033 17843
1348 1 6 . 1 1 51 51 THR C C 51 175.429 175.429 176.441 -1.012 17843
1349 1 6 . 1 1 51 51 THR H H 51 7.510 7.510 7.167 0.343 17843
1350 1 6 . 1 1 52 52 PHE N N 52 121.424 121.424 120.507 0.917 17843
1351 1 6 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.399 -0.657 17843
1352 1 6 . 1 1 52 52 PHE C C 52 177.914 177.914 177.726 0.188 17843
1353 1 6 . 1 1 52 52 PHE H H 52 7.574 7.574 7.997 -0.423 17843
1354 1 6 . 1 1 53 53 THR N N 53 114.075 114.075 109.804 4.271 17843
1355 1 6 . 1 1 53 53 THR C C 53 177.639 177.639 175.856 1.783 17843
1356 1 6 . 1 1 53 53 THR H H 53 7.897 7.897 8.317 -0.420 17843
1357 1 6 . 1 1 54 54 VAL N N 54 122.414 122.414 121.911 0.503 17843
1358 1 6 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.891 0.350 17843
1359 1 6 . 1 1 54 54 VAL C C 54 179.601 179.601 177.685 1.916 17843
1360 1 6 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.114 -2.446 17843
1361 1 6 . 1 1 54 54 VAL CB C 54 32.816 32.816 31.995 0.821 17843
1362 1 6 . 1 1 54 54 VAL H H 54 8.069 8.069 7.598 0.471 17843
1363 1 6 . 1 1 55 55 THR N N 55 118.343 118.343 114.771 3.572 17843
1364 1 6 . 1 1 55 55 THR HA H 55 4.126 4.126 4.204 -0.078 17843
1365 1 6 . 1 1 55 55 THR C C 55 173.658 173.658 174.884 -1.226 17843
1366 1 6 . 1 1 55 55 THR CA C 55 61.819 61.819 65.383 -3.564 17843
1367 1 6 . 1 1 55 55 THR CB C 55 70.154 70.154 69.341 0.813 17843
1368 1 6 . 1 1 55 55 THR H H 55 8.189 8.189 8.020 0.169 17843
1369 1 7 . 1 1 2 2 THR N N 2 128.406 128.406 120.150 8.256 17843
1370 1 7 . 1 1 2 2 THR HA H 2 4.338 4.338 4.037 0.301 17843
1371 1 7 . 1 1 2 2 THR C C 2 176.278 176.278 176.032 0.246 17843
1372 1 7 . 1 1 2 2 THR H H 2 7.964 7.964 8.472 -0.508 17843
1373 1 7 . 1 1 3 3 TYR N N 3 124.128 124.128 116.179 7.949 17843
1374 1 7 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.462 -0.260 17843
1375 1 7 . 1 1 3 3 TYR C C 3 175.400 175.400 176.329 -0.929 17843
1376 1 7 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.289 -1.218 17843
1377 1 7 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.178 1.669 17843
1378 1 7 . 1 1 3 3 TYR H H 3 8.369 8.369 8.300 0.069 17843
1379 1 7 . 1 1 4 4 LYS N N 4 123.685 123.685 118.374 5.311 17843
1380 1 7 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.757 0.356 17843
1381 1 7 . 1 1 4 4 LYS C C 4 175.956 175.956 177.469 -1.513 17843
1382 1 7 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.839 -1.704 17843
1383 1 7 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.942 0.816 17843
1384 1 7 . 1 1 4 4 LYS H H 4 8.012 8.012 6.697 1.315 17843
1385 1 7 . 1 1 5 5 LEU N N 5 122.275 122.275 117.628 4.647 17843
1386 1 7 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.222 -0.046 17843
1387 1 7 . 1 1 5 5 LEU C C 5 176.937 176.937 177.074 -0.137 17843
1388 1 7 . 1 1 5 5 LEU CA C 5 55.520 55.520 55.804 -0.284 17843
1389 1 7 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.137 -1.129 17843
1390 1 7 . 1 1 5 5 LEU H H 5 7.929 7.929 7.412 0.517 17843
1391 1 7 . 1 1 6 6 ILE N N 6 123.581 123.581 119.784 3.797 17843
1392 1 7 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.236 -0.021 17843
1393 1 7 . 1 1 6 6 ILE C C 6 176.732 176.732 175.091 1.641 17843
1394 1 7 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.714 0.278 17843
1395 1 7 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.769 -0.157 17843
1396 1 7 . 1 1 6 6 ILE H H 6 8.116 8.116 8.134 -0.018 17843
1397 1 7 . 1 1 7 7 LEU N N 7 125.222 125.222 125.915 -0.693 17843
1398 1 7 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.360 -0.248 17843
1399 1 7 . 1 1 7 7 LEU C C 7 177.405 177.405 176.736 0.669 17843
1400 1 7 . 1 1 7 7 LEU CA C 7 55.541 55.541 54.850 0.691 17843
1401 1 7 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.601 -0.008 17843
1402 1 7 . 1 1 7 7 LEU H H 7 8.034 8.034 8.453 -0.419 17843
1403 1 7 . 1 1 8 8 ASN N N 8 118.212 118.212 118.634 -0.422 17843
1404 1 7 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.667 -0.465 17843
1405 1 7 . 1 1 8 8 ASN C C 8 174.463 174.463 176.183 -1.720 17843
1406 1 7 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.719 0.354 17843
1407 1 7 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.755 0.033 17843
1408 1 7 . 1 1 8 8 ASN H H 8 8.127 8.127 7.537 0.590 17843
1409 1 7 . 1 1 9 9 LEU N N 9 122.727 122.727 129.517 -6.790 17843
1410 1 7 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.062 0.165 17843
1411 1 7 . 1 1 9 9 LEU C C 9 177.595 177.595 177.960 -0.365 17843
1412 1 7 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.881 0.728 17843
1413 1 7 . 1 1 9 9 LEU H H 9 8.204 8.204 8.916 -0.712 17843
1414 1 7 . 1 1 10 10 LYS N N 10 118.199 118.199 116.853 1.346 17843
1415 1 7 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.023 -0.012 17843
1416 1 7 . 1 1 10 10 LYS H H 10 7.952 7.952 8.391 -0.439 17843
1417 1 7 . 1 1 11 11 GLN N N 11 117.600 117.600 117.132 0.468 17843
1418 1 7 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.333 -0.349 17843
1419 1 7 . 1 1 11 11 GLN C C 11 179.161 179.161 178.200 0.961 17843
1420 1 7 . 1 1 11 11 GLN CA C 11 56.936 56.936 57.819 -0.883 17843
1421 1 7 . 1 1 11 11 GLN CB C 11 29.889 29.889 29.609 0.280 17843
1422 1 7 . 1 1 11 11 GLN H H 11 7.586 7.586 7.632 -0.046 17843
1423 1 7 . 1 1 12 12 ALA N N 12 122.858 122.858 123.993 -1.135 17843
1424 1 7 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.111 -0.100 17843
1425 1 7 . 1 1 12 12 ALA C C 12 179.161 179.161 179.142 0.019 17843
1426 1 7 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.227 0.773 17843
1427 1 7 . 1 1 12 12 ALA H H 12 8.285 8.285 8.564 -0.279 17843
1428 1 7 . 1 1 13 13 LYS N N 13 116.783 116.783 117.391 -0.608 17843
1429 1 7 . 1 1 13 13 LYS HA H 13 3.997 3.997 4.024 -0.027 17843
1430 1 7 . 1 1 13 13 LYS C C 13 177.669 177.669 177.908 -0.239 17843
1431 1 7 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.251 0.251 17843
1432 1 7 . 1 1 13 13 LYS H H 13 8.086 8.086 8.576 -0.490 17843
1433 1 7 . 1 1 14 14 GLU N N 14 116.603 116.603 119.580 -2.977 17843
1434 1 7 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.041 -0.018 17843
1435 1 7 . 1 1 14 14 GLU C C 14 180.113 180.113 178.779 1.334 17843
1436 1 7 . 1 1 14 14 GLU CA C 14 58.755 58.755 58.897 -0.141 17843
1437 1 7 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.222 0.609 17843
1438 1 7 . 1 1 14 14 GLU H H 14 7.533 7.533 7.693 -0.160 17843
1439 1 7 . 1 1 15 15 GLU N N 15 119.346 119.346 120.635 -1.289 17843
1440 1 7 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.086 -0.050 17843
1441 1 7 . 1 1 15 15 GLU C C 15 178.283 178.283 178.042 0.241 17843
1442 1 7 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.228 -2.174 17843
1443 1 7 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.313 0.635 17843
1444 1 7 . 1 1 15 15 GLU H H 15 8.284 8.284 7.949 0.335 17843
1445 1 7 . 1 1 16 16 ALA N N 16 122.070 122.070 121.294 0.776 17843
1446 1 7 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.072 -0.049 17843
1447 1 7 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.006 0.222 17843
1448 1 7 . 1 1 16 16 ALA H H 16 8.338 8.338 7.744 0.594 17843
1449 1 7 . 1 1 18 18 LYS C C 18 178.327 178.327 178.580 -0.253 17843
1450 1 7 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.463 -2.883 17843
1451 1 7 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.196 0.269 17843
1452 1 7 . 1 1 19 19 GLU N N 19 118.876 118.876 117.826 1.050 17843
1453 1 7 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.174 -0.010 17843
1454 1 7 . 1 1 19 19 GLU C C 19 178.210 178.210 179.284 -1.074 17843
1455 1 7 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.846 -1.030 17843
1456 1 7 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.160 0.437 17843
1457 1 7 . 1 1 19 19 GLU H H 19 8.187 8.187 7.591 0.596 17843
1458 1 7 . 1 1 20 20 LEU N N 20 120.207 120.207 121.370 -1.163 17843
1459 1 7 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.996 0.104 17843
1460 1 7 . 1 1 20 20 LEU C C 20 178.825 178.825 178.920 -0.095 17843
1461 1 7 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.406 -0.851 17843
1462 1 7 . 1 1 20 20 LEU H H 20 7.957 7.957 8.405 -0.448 17843
1463 1 7 . 1 1 21 21 VAL N N 21 122.396 122.396 119.639 2.757 17843
1464 1 7 . 1 1 21 21 VAL C C 21 177.830 177.830 178.327 -0.497 17843
1465 1 7 . 1 1 21 21 VAL H H 21 8.807 8.807 8.490 0.317 17843
1466 1 7 . 1 1 22 22 ASP N N 22 122.142 122.142 120.804 1.338 17843
1467 1 7 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.398 -0.208 17843
1468 1 7 . 1 1 22 22 ASP H H 22 8.146 8.146 8.113 0.033 17843
1469 1 7 . 1 1 23 23 ALA C C 23 177.615 177.615 178.224 -0.609 17843
1470 1 7 . 1 1 24 24 GLY N N 24 108.124 108.124 107.486 0.638 17843
1471 1 7 . 1 1 24 24 GLY C C 24 174.273 174.273 174.555 -0.282 17843
1472 1 7 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.937 0.291 17843
1473 1 7 . 1 1 24 24 GLY H H 24 8.015 8.015 7.679 0.336 17843
1474 1 7 . 1 1 25 25 ILE N N 25 118.141 118.141 121.374 -3.233 17843
1475 1 7 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.462 -0.490 17843
1476 1 7 . 1 1 25 25 ILE C C 25 175.810 175.810 175.395 0.415 17843
1477 1 7 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.343 -0.158 17843
1478 1 7 . 1 1 25 25 ILE H H 25 7.776 7.776 8.261 -0.485 17843
1479 1 7 . 1 1 26 26 ALA N N 26 127.540 127.540 130.857 -3.317 17843
1480 1 7 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.000 0.087 17843
1481 1 7 . 1 1 26 26 ALA C C 26 177.683 177.683 179.284 -1.601 17843
1482 1 7 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.479 -0.705 17843
1483 1 7 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.761 0.063 17843
1484 1 7 . 1 1 26 26 ALA H H 26 8.316 8.316 8.546 -0.230 17843
1485 1 7 . 1 1 27 27 GLU N N 27 120.829 120.829 118.545 2.284 17843
1486 1 7 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.093 0.045 17843
1487 1 7 . 1 1 27 27 GLU C C 27 176.322 176.322 178.640 -2.318 17843
1488 1 7 . 1 1 27 27 GLU CA C 27 57.116 57.116 60.022 -2.906 17843
1489 1 7 . 1 1 27 27 GLU H H 27 8.188 8.188 8.689 -0.501 17843
1490 1 7 . 1 1 28 28 LYS N N 28 116.307 116.307 117.038 -0.731 17843
1491 1 7 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.220 -0.312 17843
1492 1 7 . 1 1 28 28 LYS C C 28 177.464 177.464 178.743 -1.279 17843
1493 1 7 . 1 1 28 28 LYS H H 28 8.018 8.018 7.795 0.223 17843
1494 1 7 . 1 1 29 29 TYR N N 29 117.013 117.013 121.559 -4.546 17843
1495 1 7 . 1 1 29 29 TYR C C 29 177.595 177.595 177.255 0.340 17843
1496 1 7 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.847 -2.219 17843
1497 1 7 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.189 -0.045 17843
1498 1 7 . 1 1 29 29 TYR H H 29 7.291 7.291 7.884 -0.593 17843
1499 1 7 . 1 1 30 30 PHE N N 30 118.973 118.973 115.457 3.516 17843
1500 1 7 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.457 -0.370 17843
1501 1 7 . 1 1 30 30 PHE C C 30 177.083 177.083 176.741 0.342 17843
1502 1 7 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.373 -2.440 17843
1503 1 7 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.764 5.288 17843
1504 1 7 . 1 1 30 30 PHE H H 30 7.957 7.957 8.083 -0.126 17843
1505 1 7 . 1 1 31 31 LYS N N 31 118.711 118.711 118.346 0.365 17843
1506 1 7 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.193 -0.182 17843
1507 1 7 . 1 1 31 31 LYS C C 31 177.449 177.449 177.849 -0.400 17843
1508 1 7 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.502 0.341 17843
1509 1 7 . 1 1 31 31 LYS H H 31 7.863 7.863 7.879 -0.016 17843
1510 1 7 . 1 1 32 32 LEU N N 32 117.926 117.926 121.150 -3.224 17843
1511 1 7 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.866 -0.048 17843
1512 1 7 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.688 -0.577 17843
1513 1 7 . 1 1 32 32 LEU H H 32 7.297 7.297 7.347 -0.050 17843
1514 1 7 . 1 1 33 33 ILE N N 33 118.783 118.783 119.199 -0.416 17843
1515 1 7 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.864 0.121 17843
1516 1 7 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.643 -0.829 17843
1517 1 7 . 1 1 33 33 ILE H H 33 7.709 7.709 7.658 0.051 17843
1518 1 7 . 1 1 35 35 ASN C C 35 175.400 175.400 174.628 0.772 17843
1519 1 7 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.716 -0.430 17843
1520 1 7 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.973 -0.068 17843
1521 1 7 . 1 1 36 36 ALA N N 36 124.207 124.207 123.456 0.751 17843
1522 1 7 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.271 0.686 17843
1523 1 7 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.100 1.401 17843
1524 1 7 . 1 1 36 36 ALA H H 36 7.292 7.292 7.528 -0.236 17843
1525 1 7 . 1 1 37 37 LYS C C 37 176.761 176.761 176.608 0.153 17843
1526 1 7 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.976 -1.684 17843
1527 1 7 . 1 1 38 38 THR N N 38 106.253 106.253 105.730 0.523 17843
1528 1 7 . 1 1 38 38 THR HA H 38 4.407 4.407 4.498 -0.091 17843
1529 1 7 . 1 1 38 38 THR C C 38 174.112 174.112 175.491 -1.379 17843
1530 1 7 . 1 1 38 38 THR H H 38 7.273 7.273 7.308 -0.035 17843
1531 1 7 . 1 1 39 39 VAL N N 39 122.396 122.396 116.873 5.523 17843
1532 1 7 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.898 0.074 17843
1533 1 7 . 1 1 39 39 VAL C C 39 176.527 176.527 177.230 -0.703 17843
1534 1 7 . 1 1 39 39 VAL CA C 39 67.551 67.551 65.045 2.506 17843
1535 1 7 . 1 1 39 39 VAL H H 39 8.821 8.821 8.696 0.125 17843
1536 1 7 . 1 1 40 40 GLU N N 40 117.771 117.771 121.137 -3.366 17843
1537 1 7 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.999 -0.078 17843
1538 1 7 . 1 1 40 40 GLU C C 40 179.574 179.574 178.798 0.776 17843
1539 1 7 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.463 0.631 17843
1540 1 7 . 1 1 40 40 GLU H H 40 8.596 8.596 8.779 -0.183 17843
1541 1 7 . 1 1 41 41 GLY N N 41 108.656 108.656 108.535 0.121 17843
1542 1 7 . 1 1 41 41 GLY C C 41 176.264 176.264 175.404 0.860 17843
1543 1 7 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.730 -1.151 17843
1544 1 7 . 1 1 41 41 GLY H H 41 7.945 7.945 8.048 -0.103 17843
1545 1 7 . 1 1 42 42 VAL N N 42 121.716 121.716 121.674 0.042 17843
1546 1 7 . 1 1 42 42 VAL C C 42 177.273 177.273 176.938 0.335 17843
1547 1 7 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.294 0.438 17843
1548 1 7 . 1 1 42 42 VAL H H 42 7.809 7.809 7.562 0.247 17843
1549 1 7 . 1 1 43 43 TRP N N 43 118.909 118.909 121.573 -2.664 17843
1550 1 7 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.066 -0.119 17843
1551 1 7 . 1 1 43 43 TRP C C 43 178.781 178.781 177.506 1.275 17843
1552 1 7 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.551 -0.947 17843
1553 1 7 . 1 1 43 43 TRP H H 43 7.498 7.498 7.932 -0.434 17843
1554 1 7 . 1 1 44 44 THR N N 44 116.154 116.154 115.420 0.734 17843
1555 1 7 . 1 1 44 44 THR HA H 44 3.985 3.985 3.690 0.295 17843
1556 1 7 . 1 1 44 44 THR C C 44 177.639 177.639 176.660 0.979 17843
1557 1 7 . 1 1 44 44 THR CA C 44 66.629 66.629 66.865 -0.236 17843
1558 1 7 . 1 1 44 44 THR H H 44 8.157 8.157 7.970 0.187 17843
1559 1 7 . 1 1 45 45 TYR N N 45 121.630 121.630 119.950 1.680 17843
1560 1 7 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.253 -0.025 17843
1561 1 7 . 1 1 45 45 TYR H H 45 8.066 8.066 7.898 0.168 17843
1562 1 7 . 1 1 46 46 LYS N N 46 119.502 119.502 121.511 -2.009 17843
1563 1 7 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.910 -0.291 17843
1564 1 7 . 1 1 46 46 LYS H H 46 8.422 8.422 8.030 0.392 17843
1565 1 7 . 1 1 47 47 ASP N N 47 117.441 117.441 119.164 -1.723 17843
1566 1 7 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.151 -0.140 17843
1567 1 7 . 1 1 47 47 ASP C C 47 174.917 174.917 178.675 -3.758 17843
1568 1 7 . 1 1 47 47 ASP H H 47 7.446 7.446 7.573 -0.127 17843
1569 1 7 . 1 1 48 48 GLU N N 48 121.387 121.387 119.879 1.508 17843
1570 1 7 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.659 0.300 17843
1571 1 7 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.648 1.249 17843
1572 1 7 . 1 1 48 48 GLU H H 48 7.718 7.718 7.882 -0.164 17843
1573 1 7 . 1 1 50 50 LYS C C 50 176.922 176.922 178.588 -1.666 17843
1574 1 7 . 1 1 51 51 THR N N 51 110.556 110.556 116.699 -6.143 17843
1575 1 7 . 1 1 51 51 THR HA H 51 4.164 4.164 4.003 0.161 17843
1576 1 7 . 1 1 51 51 THR C C 51 175.429 175.429 176.814 -1.385 17843
1577 1 7 . 1 1 51 51 THR H H 51 7.510 7.510 7.683 -0.173 17843
1578 1 7 . 1 1 52 52 PHE N N 52 121.424 121.424 120.625 0.799 17843
1579 1 7 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.573 -0.831 17843
1580 1 7 . 1 1 52 52 PHE C C 52 177.914 177.914 178.585 -0.671 17843
1581 1 7 . 1 1 52 52 PHE H H 52 7.574 7.574 8.272 -0.698 17843
1582 1 7 . 1 1 53 53 THR N N 53 114.075 114.075 115.162 -1.087 17843
1583 1 7 . 1 1 53 53 THR C C 53 177.639 177.639 176.509 1.130 17843
1584 1 7 . 1 1 53 53 THR H H 53 7.897 7.897 8.016 -0.119 17843
1585 1 7 . 1 1 54 54 VAL N N 54 122.414 122.414 120.822 1.592 17843
1586 1 7 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.779 0.462 17843
1587 1 7 . 1 1 54 54 VAL C C 54 179.601 179.601 177.422 2.179 17843
1588 1 7 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.270 -2.602 17843
1589 1 7 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.078 0.738 17843
1590 1 7 . 1 1 54 54 VAL H H 54 8.069 8.069 7.683 0.386 17843
1591 1 7 . 1 1 55 55 THR N N 55 118.343 118.343 109.680 8.663 17843
1592 1 7 . 1 1 55 55 THR HA H 55 4.126 4.126 4.282 -0.156 17843
1593 1 7 . 1 1 55 55 THR C C 55 173.658 173.658 175.289 -1.631 17843
1594 1 7 . 1 1 55 55 THR CA C 55 61.819 61.819 62.559 -0.740 17843
1595 1 7 . 1 1 55 55 THR CB C 55 70.154 70.154 69.229 0.925 17843
1596 1 7 . 1 1 55 55 THR H H 55 8.189 8.189 7.891 0.298 17843
1597 1 8 . 1 1 2 2 THR N N 2 128.406 128.406 120.510 7.896 17843
1598 1 8 . 1 1 2 2 THR HA H 2 4.338 4.338 4.387 -0.049 17843
1599 1 8 . 1 1 2 2 THR C C 2 176.278 176.278 173.723 2.555 17843
1600 1 8 . 1 1 2 2 THR H H 2 7.964 7.964 8.241 -0.277 17843
1601 1 8 . 1 1 3 3 TYR N N 3 124.128 124.128 124.592 -0.464 17843
1602 1 8 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.546 -0.344 17843
1603 1 8 . 1 1 3 3 TYR C C 3 175.400 175.400 175.819 -0.419 17843
1604 1 8 . 1 1 3 3 TYR CA C 3 58.072 58.072 57.562 0.510 17843
1605 1 8 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.937 -0.091 17843
1606 1 8 . 1 1 3 3 TYR H H 3 8.369 8.369 8.576 -0.207 17843
1607 1 8 . 1 1 4 4 LYS N N 4 123.685 123.685 120.474 3.211 17843
1608 1 8 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.324 -0.211 17843
1609 1 8 . 1 1 4 4 LYS C C 4 175.956 175.956 176.128 -0.172 17843
1610 1 8 . 1 1 4 4 LYS CA C 4 56.135 56.135 55.317 0.818 17843
1611 1 8 . 1 1 4 4 LYS CB C 4 32.758 32.758 33.550 -0.792 17843
1612 1 8 . 1 1 4 4 LYS H H 4 8.012 8.012 7.758 0.254 17843
1613 1 8 . 1 1 5 5 LEU N N 5 122.275 122.275 122.831 -0.556 17843
1614 1 8 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.010 0.166 17843
1615 1 8 . 1 1 5 5 LEU C C 5 176.937 176.937 175.660 1.277 17843
1616 1 8 . 1 1 5 5 LEU CA C 5 55.520 55.520 55.051 0.469 17843
1617 1 8 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.062 -0.054 17843
1618 1 8 . 1 1 5 5 LEU H H 5 7.929 7.929 8.059 -0.130 17843
1619 1 8 . 1 1 6 6 ILE N N 6 123.581 123.581 125.478 -1.897 17843
1620 1 8 . 1 1 6 6 ILE HA H 6 4.215 4.215 3.347 0.868 17843
1621 1 8 . 1 1 6 6 ILE C C 6 176.732 176.732 175.202 1.530 17843
1622 1 8 . 1 1 6 6 ILE CA C 6 60.992 60.992 58.993 1.999 17843
1623 1 8 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.981 0.631 17843
1624 1 8 . 1 1 6 6 ILE H H 6 8.116 8.116 7.721 0.395 17843
1625 1 8 . 1 1 7 7 LEU N N 7 125.222 125.222 126.499 -1.277 17843
1626 1 8 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.365 -0.253 17843
1627 1 8 . 1 1 7 7 LEU C C 7 177.405 177.405 176.535 0.870 17843
1628 1 8 . 1 1 7 7 LEU CA C 7 55.541 55.541 53.770 1.771 17843
1629 1 8 . 1 1 7 7 LEU CB C 7 42.593 42.593 43.105 -0.512 17843
1630 1 8 . 1 1 7 7 LEU H H 7 8.034 8.034 8.203 -0.169 17843
1631 1 8 . 1 1 8 8 ASN N N 8 118.212 118.212 118.789 -0.577 17843
1632 1 8 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.559 -0.357 17843
1633 1 8 . 1 1 8 8 ASN C C 8 174.463 174.463 177.186 -2.723 17843
1634 1 8 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.793 -0.720 17843
1635 1 8 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.677 -0.889 17843
1636 1 8 . 1 1 8 8 ASN H H 8 8.127 8.127 8.494 -0.367 17843
1637 1 8 . 1 1 9 9 LEU N N 9 122.727 122.727 127.416 -4.689 17843
1638 1 8 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.894 0.333 17843
1639 1 8 . 1 1 9 9 LEU C C 9 177.595 177.595 178.489 -0.894 17843
1640 1 8 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.015 0.594 17843
1641 1 8 . 1 1 9 9 LEU H H 9 8.204 8.204 8.804 -0.600 17843
1642 1 8 . 1 1 10 10 LYS N N 10 118.199 118.199 118.466 -0.267 17843
1643 1 8 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.829 0.182 17843
1644 1 8 . 1 1 10 10 LYS H H 10 7.952 7.952 8.366 -0.414 17843
1645 1 8 . 1 1 11 11 GLN N N 11 117.600 117.600 119.017 -1.417 17843
1646 1 8 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.139 -0.155 17843
1647 1 8 . 1 1 11 11 GLN C C 11 179.161 179.161 178.205 0.956 17843
1648 1 8 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.392 -1.456 17843
1649 1 8 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.323 1.566 17843
1650 1 8 . 1 1 11 11 GLN H H 11 7.586 7.586 7.855 -0.269 17843
1651 1 8 . 1 1 12 12 ALA N N 12 122.858 122.858 122.446 0.412 17843
1652 1 8 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.033 -0.022 17843
1653 1 8 . 1 1 12 12 ALA C C 12 179.161 179.161 179.185 -0.024 17843
1654 1 8 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.583 0.417 17843
1655 1 8 . 1 1 12 12 ALA H H 12 8.285 8.285 8.695 -0.410 17843
1656 1 8 . 1 1 13 13 LYS N N 13 116.783 116.783 119.409 -2.626 17843
1657 1 8 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.947 0.050 17843
1658 1 8 . 1 1 13 13 LYS C C 13 177.669 177.669 178.754 -1.085 17843
1659 1 8 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.818 -0.316 17843
1660 1 8 . 1 1 13 13 LYS H H 13 8.086 8.086 8.311 -0.225 17843
1661 1 8 . 1 1 14 14 GLU N N 14 116.603 116.603 119.061 -2.458 17843
1662 1 8 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.989 0.034 17843
1663 1 8 . 1 1 14 14 GLU C C 14 180.113 180.113 179.251 0.862 17843
1664 1 8 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.476 -0.721 17843
1665 1 8 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.481 0.350 17843
1666 1 8 . 1 1 14 14 GLU H H 14 7.533 7.533 7.728 -0.195 17843
1667 1 8 . 1 1 15 15 GLU N N 15 119.346 119.346 119.100 0.246 17843
1668 1 8 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.019 0.017 17843
1669 1 8 . 1 1 15 15 GLU C C 15 178.283 178.283 178.918 -0.635 17843
1670 1 8 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.850 -1.796 17843
1671 1 8 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.153 0.795 17843
1672 1 8 . 1 1 15 15 GLU H H 15 8.284 8.284 8.336 -0.052 17843
1673 1 8 . 1 1 16 16 ALA N N 16 122.070 122.070 122.241 -0.171 17843
1674 1 8 . 1 1 16 16 ALA HA H 16 4.023 4.023 3.992 0.031 17843
1675 1 8 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.025 0.203 17843
1676 1 8 . 1 1 16 16 ALA H H 16 8.338 8.338 8.106 0.232 17843
1677 1 8 . 1 1 18 18 LYS C C 18 178.327 178.327 179.074 -0.747 17843
1678 1 8 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.231 -2.651 17843
1679 1 8 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.037 0.428 17843
1680 1 8 . 1 1 19 19 GLU N N 19 118.876 118.876 118.674 0.202 17843
1681 1 8 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.188 -0.024 17843
1682 1 8 . 1 1 19 19 GLU C C 19 178.210 178.210 178.918 -0.708 17843
1683 1 8 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.144 -0.327 17843
1684 1 8 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.295 0.302 17843
1685 1 8 . 1 1 19 19 GLU H H 19 8.187 8.187 7.440 0.747 17843
1686 1 8 . 1 1 20 20 LEU N N 20 120.207 120.207 121.675 -1.468 17843
1687 1 8 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.025 0.075 17843
1688 1 8 . 1 1 20 20 LEU C C 20 178.825 178.825 179.237 -0.412 17843
1689 1 8 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.257 -0.702 17843
1690 1 8 . 1 1 20 20 LEU H H 20 7.957 7.957 8.334 -0.377 17843
1691 1 8 . 1 1 21 21 VAL N N 21 122.396 122.396 118.150 4.246 17843
1692 1 8 . 1 1 21 21 VAL C C 21 177.830 177.830 177.329 0.501 17843
1693 1 8 . 1 1 21 21 VAL H H 21 8.807 8.807 8.248 0.559 17843
1694 1 8 . 1 1 22 22 ASP N N 22 122.142 122.142 119.893 2.249 17843
1695 1 8 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.459 -0.269 17843
1696 1 8 . 1 1 22 22 ASP H H 22 8.146 8.146 7.640 0.506 17843
1697 1 8 . 1 1 23 23 ALA C C 23 177.615 177.615 178.447 -0.832 17843
1698 1 8 . 1 1 24 24 GLY N N 24 108.124 108.124 106.462 1.662 17843
1699 1 8 . 1 1 24 24 GLY C C 24 174.273 174.273 174.700 -0.427 17843
1700 1 8 . 1 1 24 24 GLY CA C 24 45.228 45.228 45.096 0.132 17843
1701 1 8 . 1 1 24 24 GLY H H 24 8.015 8.015 7.652 0.363 17843
1702 1 8 . 1 1 25 25 ILE N N 25 118.141 118.141 122.422 -4.281 17843
1703 1 8 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.240 -0.268 17843
1704 1 8 . 1 1 25 25 ILE C C 25 175.810 175.810 175.556 0.254 17843
1705 1 8 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.298 -2.113 17843
1706 1 8 . 1 1 25 25 ILE H H 25 7.776 7.776 7.512 0.264 17843
1707 1 8 . 1 1 26 26 ALA N N 26 127.540 127.540 130.852 -3.312 17843
1708 1 8 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.982 0.105 17843
1709 1 8 . 1 1 26 26 ALA C C 26 177.683 177.683 179.107 -1.424 17843
1710 1 8 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.401 -0.627 17843
1711 1 8 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.660 0.164 17843
1712 1 8 . 1 1 26 26 ALA H H 26 8.316 8.316 8.662 -0.346 17843
1713 1 8 . 1 1 27 27 GLU N N 27 120.829 120.829 118.590 2.239 17843
1714 1 8 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.094 0.044 17843
1715 1 8 . 1 1 27 27 GLU C C 27 176.322 176.322 178.669 -2.347 17843
1716 1 8 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.841 -2.725 17843
1717 1 8 . 1 1 27 27 GLU H H 27 8.188 8.188 8.614 -0.426 17843
1718 1 8 . 1 1 28 28 LYS N N 28 116.307 116.307 117.568 -1.261 17843
1719 1 8 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.213 -0.305 17843
1720 1 8 . 1 1 28 28 LYS C C 28 177.464 177.464 178.919 -1.455 17843
1721 1 8 . 1 1 28 28 LYS H H 28 8.018 8.018 7.732 0.286 17843
1722 1 8 . 1 1 29 29 TYR N N 29 117.013 117.013 120.258 -3.245 17843
1723 1 8 . 1 1 29 29 TYR C C 29 177.595 177.595 176.087 1.508 17843
1724 1 8 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.321 -1.692 17843
1725 1 8 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.218 -0.074 17843
1726 1 8 . 1 1 29 29 TYR H H 29 7.291 7.291 7.814 -0.523 17843
1727 1 8 . 1 1 30 30 PHE N N 30 118.973 118.973 113.118 5.855 17843
1728 1 8 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.594 -0.507 17843
1729 1 8 . 1 1 30 30 PHE C C 30 177.083 177.083 176.899 0.184 17843
1730 1 8 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.665 -1.732 17843
1731 1 8 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.338 4.714 17843
1732 1 8 . 1 1 30 30 PHE H H 30 7.957 7.957 7.562 0.395 17843
1733 1 8 . 1 1 31 31 LYS N N 31 118.711 118.711 120.365 -1.654 17843
1734 1 8 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.122 -0.111 17843
1735 1 8 . 1 1 31 31 LYS C C 31 177.449 177.449 178.153 -0.704 17843
1736 1 8 . 1 1 31 31 LYS CA C 31 58.843 58.843 59.184 -0.341 17843
1737 1 8 . 1 1 31 31 LYS H H 31 7.863 7.863 8.260 -0.397 17843
1738 1 8 . 1 1 32 32 LEU N N 32 117.926 117.926 120.574 -2.648 17843
1739 1 8 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.892 -0.074 17843
1740 1 8 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.667 -0.555 17843
1741 1 8 . 1 1 32 32 LEU H H 32 7.297 7.297 7.585 -0.288 17843
1742 1 8 . 1 1 33 33 ILE N N 33 118.783 118.783 118.101 0.682 17843
1743 1 8 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.938 0.047 17843
1744 1 8 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.041 -1.227 17843
1745 1 8 . 1 1 33 33 ILE H H 33 7.709 7.709 7.612 0.097 17843
1746 1 8 . 1 1 35 35 ASN C C 35 175.400 175.400 174.510 0.890 17843
1747 1 8 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.653 -0.367 17843
1748 1 8 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.774 0.131 17843
1749 1 8 . 1 1 36 36 ALA N N 36 124.207 124.207 122.589 1.618 17843
1750 1 8 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.567 0.390 17843
1751 1 8 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.469 1.032 17843
1752 1 8 . 1 1 36 36 ALA H H 36 7.292 7.292 7.330 -0.038 17843
1753 1 8 . 1 1 37 37 LYS C C 37 176.761 176.761 176.035 0.726 17843
1754 1 8 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.631 -0.339 17843
1755 1 8 . 1 1 38 38 THR N N 38 106.253 106.253 110.226 -3.973 17843
1756 1 8 . 1 1 38 38 THR HA H 38 4.407 4.407 4.515 -0.108 17843
1757 1 8 . 1 1 38 38 THR C C 38 174.112 174.112 174.481 -0.369 17843
1758 1 8 . 1 1 38 38 THR H H 38 7.273 7.273 7.268 0.005 17843
1759 1 8 . 1 1 39 39 VAL N N 39 122.396 122.396 121.780 0.616 17843
1760 1 8 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.699 0.273 17843
1761 1 8 . 1 1 39 39 VAL C C 39 176.527 176.527 177.232 -0.705 17843
1762 1 8 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.626 2.925 17843
1763 1 8 . 1 1 39 39 VAL H H 39 8.821 8.821 8.474 0.347 17843
1764 1 8 . 1 1 40 40 GLU N N 40 117.771 117.771 119.458 -1.687 17843
1765 1 8 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.062 -0.141 17843
1766 1 8 . 1 1 40 40 GLU C C 40 179.574 179.574 178.743 0.831 17843
1767 1 8 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.330 0.764 17843
1768 1 8 . 1 1 40 40 GLU H H 40 8.596 8.596 8.693 -0.097 17843
1769 1 8 . 1 1 41 41 GLY N N 41 108.656 108.656 108.611 0.045 17843
1770 1 8 . 1 1 41 41 GLY C C 41 176.264 176.264 175.490 0.774 17843
1771 1 8 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.733 -1.154 17843
1772 1 8 . 1 1 41 41 GLY H H 41 7.945 7.945 7.993 -0.048 17843
1773 1 8 . 1 1 42 42 VAL N N 42 121.716 121.716 121.328 0.388 17843
1774 1 8 . 1 1 42 42 VAL C C 42 177.273 177.273 177.682 -0.409 17843
1775 1 8 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.021 0.711 17843
1776 1 8 . 1 1 42 42 VAL H H 42 7.809 7.809 7.812 -0.003 17843
1777 1 8 . 1 1 43 43 TRP N N 43 118.909 118.909 120.865 -1.956 17843
1778 1 8 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.398 -0.451 17843
1779 1 8 . 1 1 43 43 TRP C C 43 178.781 178.781 178.551 0.230 17843
1780 1 8 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.921 -1.317 17843
1781 1 8 . 1 1 43 43 TRP H H 43 7.498 7.498 7.642 -0.144 17843
1782 1 8 . 1 1 44 44 THR N N 44 116.154 116.154 117.008 -0.854 17843
1783 1 8 . 1 1 44 44 THR HA H 44 3.985 3.985 3.873 0.112 17843
1784 1 8 . 1 1 44 44 THR C C 44 177.639 177.639 176.649 0.990 17843
1785 1 8 . 1 1 44 44 THR CA C 44 66.629 66.629 66.684 -0.055 17843
1786 1 8 . 1 1 44 44 THR H H 44 8.157 8.157 8.412 -0.255 17843
1787 1 8 . 1 1 45 45 TYR N N 45 121.630 121.630 120.406 1.224 17843
1788 1 8 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.159 0.069 17843
1789 1 8 . 1 1 45 45 TYR H H 45 8.066 8.066 8.079 -0.013 17843
1790 1 8 . 1 1 46 46 LYS N N 46 119.502 119.502 119.796 -0.294 17843
1791 1 8 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.217 0.402 17843
1792 1 8 . 1 1 46 46 LYS H H 46 8.422 8.422 7.446 0.976 17843
1793 1 8 . 1 1 47 47 ASP N N 47 117.441 117.441 117.472 -0.031 17843
1794 1 8 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.571 -0.560 17843
1795 1 8 . 1 1 47 47 ASP C C 47 174.917 174.917 177.970 -3.053 17843
1796 1 8 . 1 1 47 47 ASP H H 47 7.446 7.446 7.744 -0.298 17843
1797 1 8 . 1 1 48 48 GLU N N 48 121.387 121.387 120.690 0.697 17843
1798 1 8 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.798 0.161 17843
1799 1 8 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.608 1.289 17843
1800 1 8 . 1 1 48 48 GLU H H 48 7.718 7.718 7.560 0.158 17843
1801 1 8 . 1 1 50 50 LYS C C 50 176.922 176.922 178.822 -1.900 17843
1802 1 8 . 1 1 51 51 THR N N 51 110.556 110.556 116.883 -6.327 17843
1803 1 8 . 1 1 51 51 THR HA H 51 4.164 4.164 4.064 0.100 17843
1804 1 8 . 1 1 51 51 THR C C 51 175.429 175.429 176.620 -1.191 17843
1805 1 8 . 1 1 51 51 THR H H 51 7.510 7.510 7.425 0.085 17843
1806 1 8 . 1 1 52 52 PHE N N 52 121.424 121.424 120.429 0.995 17843
1807 1 8 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.677 -0.935 17843
1808 1 8 . 1 1 52 52 PHE C C 52 177.914 177.914 178.591 -0.677 17843
1809 1 8 . 1 1 52 52 PHE H H 52 7.574 7.574 7.998 -0.424 17843
1810 1 8 . 1 1 53 53 THR N N 53 114.075 114.075 115.175 -1.100 17843
1811 1 8 . 1 1 53 53 THR C C 53 177.639 177.639 176.355 1.284 17843
1812 1 8 . 1 1 53 53 THR H H 53 7.897 7.897 8.020 -0.122 17843
1813 1 8 . 1 1 54 54 VAL N N 54 122.414 122.414 120.899 1.515 17843
1814 1 8 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.784 0.457 17843
1815 1 8 . 1 1 54 54 VAL C C 54 179.601 179.601 177.425 2.176 17843
1816 1 8 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.260 -2.592 17843
1817 1 8 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.100 0.716 17843
1818 1 8 . 1 1 54 54 VAL H H 54 8.069 8.069 7.688 0.381 17843
1819 1 8 . 1 1 55 55 THR N N 55 118.343 118.343 109.587 8.756 17843
1820 1 8 . 1 1 55 55 THR HA H 55 4.126 4.126 4.283 -0.157 17843
1821 1 8 . 1 1 55 55 THR C C 55 173.658 173.658 175.339 -1.681 17843
1822 1 8 . 1 1 55 55 THR CA C 55 61.819 61.819 62.110 -0.291 17843
1823 1 8 . 1 1 55 55 THR CB C 55 70.154 70.154 69.205 0.949 17843
1824 1 8 . 1 1 55 55 THR H H 55 8.189 8.189 7.983 0.206 17843
1825 1 9 . 1 1 2 2 THR N N 2 128.406 128.406 118.313 10.093 17843
1826 1 9 . 1 1 2 2 THR HA H 2 4.338 4.338 4.027 0.311 17843
1827 1 9 . 1 1 2 2 THR C C 2 176.278 176.278 175.658 0.620 17843
1828 1 9 . 1 1 2 2 THR H H 2 7.964 7.964 8.449 -0.485 17843
1829 1 9 . 1 1 3 3 TYR N N 3 124.128 124.128 118.405 5.723 17843
1830 1 9 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.245 -0.043 17843
1831 1 9 . 1 1 3 3 TYR C C 3 175.400 175.400 177.393 -1.993 17843
1832 1 9 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.771 -1.699 17843
1833 1 9 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.050 1.796 17843
1834 1 9 . 1 1 3 3 TYR H H 3 8.369 8.369 8.270 0.099 17843
1835 1 9 . 1 1 4 4 LYS N N 4 123.685 123.685 117.873 5.812 17843
1836 1 9 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.938 0.175 17843
1837 1 9 . 1 1 4 4 LYS C C 4 175.956 175.956 177.100 -1.144 17843
1838 1 9 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.914 -1.779 17843
1839 1 9 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.090 0.668 17843
1840 1 9 . 1 1 4 4 LYS H H 4 8.012 8.012 6.938 1.074 17843
1841 1 9 . 1 1 5 5 LEU N N 5 122.275 122.275 117.492 4.783 17843
1842 1 9 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.190 -0.014 17843
1843 1 9 . 1 1 5 5 LEU C C 5 176.937 176.937 176.716 0.221 17843
1844 1 9 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.340 1.180 17843
1845 1 9 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.421 -0.413 17843
1846 1 9 . 1 1 5 5 LEU H H 5 7.929 7.929 7.456 0.473 17843
1847 1 9 . 1 1 6 6 ILE N N 6 123.581 123.581 119.881 3.700 17843
1848 1 9 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.150 0.065 17843
1849 1 9 . 1 1 6 6 ILE C C 6 176.732 176.732 176.827 -0.095 17843
1850 1 9 . 1 1 6 6 ILE CA C 6 60.992 60.992 59.975 1.017 17843
1851 1 9 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.265 1.347 17843
1852 1 9 . 1 1 6 6 ILE H H 6 8.116 8.116 7.295 0.821 17843
1853 1 9 . 1 1 7 7 LEU N N 7 125.222 125.222 129.496 -4.274 17843
1854 1 9 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.119 -0.007 17843
1855 1 9 . 1 1 7 7 LEU C C 7 177.405 177.405 177.487 -0.082 17843
1856 1 9 . 1 1 7 7 LEU CA C 7 55.541 55.541 57.347 -1.806 17843
1857 1 9 . 1 1 7 7 LEU CB C 7 42.593 42.593 41.720 0.873 17843
1858 1 9 . 1 1 7 7 LEU H H 7 8.034 8.034 8.805 -0.771 17843
1859 1 9 . 1 1 8 8 ASN N N 8 118.212 118.212 116.461 1.751 17843
1860 1 9 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.858 -0.656 17843
1861 1 9 . 1 1 8 8 ASN C C 8 174.463 174.463 176.576 -2.113 17843
1862 1 9 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.452 -0.379 17843
1863 1 9 . 1 1 8 8 ASN CB C 8 38.788 38.788 37.571 1.217 17843
1864 1 9 . 1 1 8 8 ASN H H 8 8.127 8.127 8.404 -0.277 17843
1865 1 9 . 1 1 9 9 LEU N N 9 122.727 122.727 123.545 -0.818 17843
1866 1 9 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.933 0.294 17843
1867 1 9 . 1 1 9 9 LEU C C 9 177.595 177.595 177.713 -0.118 17843
1868 1 9 . 1 1 9 9 LEU CA C 9 58.609 58.609 59.166 -0.557 17843
1869 1 9 . 1 1 9 9 LEU H H 9 8.204 8.204 7.703 0.501 17843
1870 1 9 . 1 1 10 10 LYS N N 10 118.199 118.199 117.165 1.034 17843
1871 1 9 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.962 0.049 17843
1872 1 9 . 1 1 10 10 LYS H H 10 7.952 7.952 8.164 -0.212 17843
1873 1 9 . 1 1 11 11 GLN N N 11 117.600 117.600 119.882 -2.282 17843
1874 1 9 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.054 -0.070 17843
1875 1 9 . 1 1 11 11 GLN C C 11 179.161 179.161 177.994 1.167 17843
1876 1 9 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.757 -1.821 17843
1877 1 9 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.172 1.717 17843
1878 1 9 . 1 1 11 11 GLN H H 11 7.586 7.586 8.394 -0.808 17843
1879 1 9 . 1 1 12 12 ALA N N 12 122.858 122.858 121.469 1.389 17843
1880 1 9 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.348 -0.337 17843
1881 1 9 . 1 1 12 12 ALA C C 12 179.161 179.161 179.413 -0.252 17843
1882 1 9 . 1 1 12 12 ALA CA C 12 56.000 56.000 54.874 1.126 17843
1883 1 9 . 1 1 12 12 ALA H H 12 8.285 8.285 8.210 0.075 17843
1884 1 9 . 1 1 13 13 LYS N N 13 116.783 116.783 119.322 -2.539 17843
1885 1 9 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.881 0.116 17843
1886 1 9 . 1 1 13 13 LYS C C 13 177.669 177.669 178.735 -1.066 17843
1887 1 9 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.976 -0.474 17843
1888 1 9 . 1 1 13 13 LYS H H 13 8.086 8.086 7.772 0.314 17843
1889 1 9 . 1 1 14 14 GLU N N 14 116.603 116.603 118.413 -1.810 17843
1890 1 9 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.082 -0.059 17843
1891 1 9 . 1 1 14 14 GLU C C 14 180.113 180.113 179.321 0.792 17843
1892 1 9 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.367 -0.612 17843
1893 1 9 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.658 0.173 17843
1894 1 9 . 1 1 14 14 GLU H H 14 7.533 7.533 8.271 -0.738 17843
1895 1 9 . 1 1 15 15 GLU N N 15 119.346 119.346 120.140 -0.794 17843
1896 1 9 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.113 -0.077 17843
1897 1 9 . 1 1 15 15 GLU C C 15 178.283 178.283 178.925 -0.642 17843
1898 1 9 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.111 -2.058 17843
1899 1 9 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.502 0.446 17843
1900 1 9 . 1 1 15 15 GLU H H 15 8.284 8.284 8.122 0.162 17843
1901 1 9 . 1 1 16 16 ALA N N 16 122.070 122.070 122.793 -0.723 17843
1902 1 9 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.196 -0.173 17843
1903 1 9 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.384 -0.156 17843
1904 1 9 . 1 1 16 16 ALA H H 16 8.338 8.338 8.186 0.152 17843
1905 1 9 . 1 1 18 18 LYS C C 18 178.327 178.327 178.570 -0.243 17843
1906 1 9 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.170 -2.590 17843
1907 1 9 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.367 0.098 17843
1908 1 9 . 1 1 19 19 GLU N N 19 118.876 118.876 118.972 -0.096 17843
1909 1 9 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.164 -0.000 17843
1910 1 9 . 1 1 19 19 GLU C C 19 178.210 178.210 179.315 -1.105 17843
1911 1 9 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.042 -1.226 17843
1912 1 9 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.709 -0.112 17843
1913 1 9 . 1 1 19 19 GLU H H 19 8.187 8.187 7.952 0.235 17843
1914 1 9 . 1 1 20 20 LEU N N 20 120.207 120.207 120.767 -0.560 17843
1915 1 9 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.085 0.015 17843
1916 1 9 . 1 1 20 20 LEU C C 20 178.825 178.825 178.756 0.069 17843
1917 1 9 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.185 -0.630 17843
1918 1 9 . 1 1 20 20 LEU H H 20 7.957 7.957 8.070 -0.113 17843
1919 1 9 . 1 1 21 21 VAL N N 21 122.396 122.396 119.768 2.628 17843
1920 1 9 . 1 1 21 21 VAL C C 21 177.830 177.830 178.212 -0.382 17843
1921 1 9 . 1 1 21 21 VAL H H 21 8.807 8.807 7.917 0.890 17843
1922 1 9 . 1 1 22 22 ASP N N 22 122.142 122.142 120.326 1.816 17843
1923 1 9 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.409 -0.219 17843
1924 1 9 . 1 1 22 22 ASP H H 22 8.146 8.146 7.853 0.293 17843
1925 1 9 . 1 1 23 23 ALA C C 23 177.615 177.615 177.792 -0.177 17843
1926 1 9 . 1 1 24 24 GLY N N 24 108.124 108.124 106.215 1.909 17843
1927 1 9 . 1 1 24 24 GLY C C 24 174.273 174.273 174.654 -0.381 17843
1928 1 9 . 1 1 24 24 GLY CA C 24 45.228 45.228 45.065 0.164 17843
1929 1 9 . 1 1 24 24 GLY H H 24 8.015 8.015 7.766 0.249 17843
1930 1 9 . 1 1 25 25 ILE N N 25 118.141 118.141 121.876 -3.735 17843
1931 1 9 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.305 -0.333 17843
1932 1 9 . 1 1 25 25 ILE C C 25 175.810 175.810 175.389 0.421 17843
1933 1 9 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.528 -0.343 17843
1934 1 9 . 1 1 25 25 ILE H H 25 7.776 7.776 8.358 -0.582 17843
1935 1 9 . 1 1 26 26 ALA N N 26 127.540 127.540 130.317 -2.777 17843
1936 1 9 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.967 0.120 17843
1937 1 9 . 1 1 26 26 ALA C C 26 177.683 177.683 179.318 -1.635 17843
1938 1 9 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.628 -0.854 17843
1939 1 9 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.688 0.136 17843
1940 1 9 . 1 1 26 26 ALA H H 26 8.316 8.316 7.937 0.379 17843
1941 1 9 . 1 1 27 27 GLU N N 27 120.829 120.829 118.371 2.458 17843
1942 1 9 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.097 0.041 17843
1943 1 9 . 1 1 27 27 GLU C C 27 176.322 176.322 178.371 -2.049 17843
1944 1 9 . 1 1 27 27 GLU CA C 27 57.116 57.116 60.140 -3.024 17843
1945 1 9 . 1 1 27 27 GLU H H 27 8.188 8.188 8.735 -0.547 17843
1946 1 9 . 1 1 28 28 LYS N N 28 116.307 116.307 117.028 -0.721 17843
1947 1 9 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.115 -0.207 17843
1948 1 9 . 1 1 28 28 LYS C C 28 177.464 177.464 178.552 -1.088 17843
1949 1 9 . 1 1 28 28 LYS H H 28 8.018 8.018 8.118 -0.100 17843
1950 1 9 . 1 1 29 29 TYR N N 29 117.013 117.013 121.495 -4.482 17843
1951 1 9 . 1 1 29 29 TYR C C 29 177.595 177.595 176.787 0.808 17843
1952 1 9 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.536 -1.907 17843
1953 1 9 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.129 0.015 17843
1954 1 9 . 1 1 29 29 TYR H H 29 7.291 7.291 7.863 -0.572 17843
1955 1 9 . 1 1 30 30 PHE N N 30 118.973 118.973 115.469 3.504 17843
1956 1 9 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.283 -0.196 17843
1957 1 9 . 1 1 30 30 PHE C C 30 177.083 177.083 177.089 -0.006 17843
1958 1 9 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.880 -2.947 17843
1959 1 9 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.648 5.404 17843
1960 1 9 . 1 1 30 30 PHE H H 30 7.957 7.957 8.183 -0.226 17843
1961 1 9 . 1 1 31 31 LYS N N 31 118.711 118.711 117.739 0.972 17843
1962 1 9 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.200 -0.189 17843
1963 1 9 . 1 1 31 31 LYS C C 31 177.449 177.449 177.773 -0.324 17843
1964 1 9 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.692 0.151 17843
1965 1 9 . 1 1 31 31 LYS H H 31 7.863 7.863 8.108 -0.245 17843
1966 1 9 . 1 1 32 32 LEU N N 32 117.926 117.926 121.258 -3.332 17843
1967 1 9 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.930 -0.112 17843
1968 1 9 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.793 -0.681 17843
1969 1 9 . 1 1 32 32 LEU H H 32 7.297 7.297 7.552 -0.255 17843
1970 1 9 . 1 1 33 33 ILE N N 33 118.783 118.783 117.361 1.422 17843
1971 1 9 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.813 0.172 17843
1972 1 9 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.693 -0.879 17843
1973 1 9 . 1 1 33 33 ILE H H 33 7.709 7.709 7.736 -0.027 17843
1974 1 9 . 1 1 35 35 ASN C C 35 175.400 175.400 174.740 0.660 17843
1975 1 9 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.368 -0.082 17843
1976 1 9 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.891 0.014 17843
1977 1 9 . 1 1 36 36 ALA N N 36 124.207 124.207 122.378 1.829 17843
1978 1 9 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.322 0.635 17843
1979 1 9 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.931 0.570 17843
1980 1 9 . 1 1 36 36 ALA H H 36 7.292 7.292 7.290 0.002 17843
1981 1 9 . 1 1 37 37 LYS C C 37 176.761 176.761 175.713 1.048 17843
1982 1 9 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.814 -0.522 17843
1983 1 9 . 1 1 38 38 THR N N 38 106.253 106.253 109.007 -2.754 17843
1984 1 9 . 1 1 38 38 THR HA H 38 4.407 4.407 3.606 0.801 17843
1985 1 9 . 1 1 38 38 THR C C 38 174.112 174.112 174.119 -0.007 17843
1986 1 9 . 1 1 38 38 THR H H 38 7.273 7.273 7.329 -0.056 17843
1987 1 9 . 1 1 39 39 VAL N N 39 122.396 122.396 121.379 1.017 17843
1988 1 9 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.382 0.590 17843
1989 1 9 . 1 1 39 39 VAL C C 39 176.527 176.527 176.325 0.202 17843
1990 1 9 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.578 2.973 17843
1991 1 9 . 1 1 39 39 VAL H H 39 8.821 8.821 8.374 0.447 17843
1992 1 9 . 1 1 40 40 GLU N N 40 117.771 117.771 118.909 -1.138 17843
1993 1 9 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.144 -0.223 17843
1994 1 9 . 1 1 40 40 GLU C C 40 179.574 179.574 178.740 0.834 17843
1995 1 9 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.596 0.498 17843
1996 1 9 . 1 1 40 40 GLU H H 40 8.596 8.596 8.551 0.045 17843
1997 1 9 . 1 1 41 41 GLY N N 41 108.656 108.656 108.437 0.219 17843
1998 1 9 . 1 1 41 41 GLY C C 41 176.264 176.264 175.393 0.871 17843
1999 1 9 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.743 -1.165 17843
2000 1 9 . 1 1 41 41 GLY H H 41 7.945 7.945 7.994 -0.049 17843
2001 1 9 . 1 1 42 42 VAL N N 42 121.716 121.716 121.484 0.232 17843
2002 1 9 . 1 1 42 42 VAL C C 42 177.273 177.273 177.639 -0.366 17843
2003 1 9 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.118 0.614 17843
2004 1 9 . 1 1 42 42 VAL H H 42 7.809 7.809 7.292 0.517 17843
2005 1 9 . 1 1 43 43 TRP N N 43 118.909 118.909 119.642 -0.733 17843
2006 1 9 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.458 -0.511 17843
2007 1 9 . 1 1 43 43 TRP C C 43 178.781 178.781 178.895 -0.114 17843
2008 1 9 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.510 0.094 17843
2009 1 9 . 1 1 43 43 TRP H H 43 7.498 7.498 8.090 -0.592 17843
2010 1 9 . 1 1 44 44 THR N N 44 116.154 116.154 116.037 0.117 17843
2011 1 9 . 1 1 44 44 THR HA H 44 3.985 3.985 4.122 -0.137 17843
2012 1 9 . 1 1 44 44 THR C C 44 177.639 177.639 176.677 0.962 17843
2013 1 9 . 1 1 44 44 THR CA C 44 66.629 66.629 66.534 0.095 17843
2014 1 9 . 1 1 44 44 THR H H 44 8.157 8.157 7.948 0.209 17843
2015 1 9 . 1 1 45 45 TYR N N 45 121.630 121.630 119.942 1.688 17843
2016 1 9 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.185 0.043 17843
2017 1 9 . 1 1 45 45 TYR H H 45 8.066 8.066 8.143 -0.077 17843
2018 1 9 . 1 1 46 46 LYS N N 46 119.502 119.502 118.429 1.073 17843
2019 1 9 . 1 1 46 46 LYS CA C 46 59.619 59.619 58.496 1.123 17843
2020 1 9 . 1 1 46 46 LYS H H 46 8.422 8.422 7.998 0.424 17843
2021 1 9 . 1 1 47 47 ASP N N 47 117.441 117.441 118.872 -1.431 17843
2022 1 9 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.651 -0.640 17843
2023 1 9 . 1 1 47 47 ASP C C 47 174.917 174.917 178.049 -3.132 17843
2024 1 9 . 1 1 47 47 ASP H H 47 7.446 7.446 7.937 -0.491 17843
2025 1 9 . 1 1 48 48 GLU N N 48 121.387 121.387 120.797 0.590 17843
2026 1 9 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.922 0.037 17843
2027 1 9 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.020 1.877 17843
2028 1 9 . 1 1 48 48 GLU H H 48 7.718 7.718 8.017 -0.299 17843
2029 1 9 . 1 1 50 50 LYS C C 50 176.922 176.922 177.384 -0.462 17843
2030 1 9 . 1 1 51 51 THR N N 51 110.556 110.556 110.209 0.347 17843
2031 1 9 . 1 1 51 51 THR HA H 51 4.164 4.164 4.484 -0.320 17843
2032 1 9 . 1 1 51 51 THR C C 51 175.429 175.429 175.747 -0.318 17843
2033 1 9 . 1 1 51 51 THR H H 51 7.510 7.510 7.707 -0.197 17843
2034 1 9 . 1 1 52 52 PHE N N 52 121.424 121.424 123.038 -1.614 17843
2035 1 9 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.791 -1.049 17843
2036 1 9 . 1 1 52 52 PHE C C 52 177.914 177.914 178.020 -0.106 17843
2037 1 9 . 1 1 52 52 PHE H H 52 7.574 7.574 7.647 -0.073 17843
2038 1 9 . 1 1 53 53 THR N N 53 114.075 114.075 110.735 3.340 17843
2039 1 9 . 1 1 53 53 THR C C 53 177.639 177.639 175.938 1.701 17843
2040 1 9 . 1 1 53 53 THR H H 53 7.897 7.897 7.757 0.140 17843
2041 1 9 . 1 1 54 54 VAL N N 54 122.414 122.414 121.307 1.107 17843
2042 1 9 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.974 0.267 17843
2043 1 9 . 1 1 54 54 VAL C C 54 179.601 179.601 177.403 2.198 17843
2044 1 9 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.122 -2.454 17843
2045 1 9 . 1 1 54 54 VAL CB C 54 32.816 32.816 31.983 0.833 17843
2046 1 9 . 1 1 54 54 VAL H H 54 8.069 8.069 7.686 0.383 17843
2047 1 9 . 1 1 55 55 THR N N 55 118.343 118.343 110.475 7.868 17843
2048 1 9 . 1 1 55 55 THR HA H 55 4.126 4.126 4.248 -0.122 17843
2049 1 9 . 1 1 55 55 THR C C 55 173.658 173.658 175.439 -1.781 17843
2050 1 9 . 1 1 55 55 THR CA C 55 61.819 61.819 62.416 -0.597 17843
2051 1 9 . 1 1 55 55 THR CB C 55 70.154 70.154 69.148 1.006 17843
2052 1 9 . 1 1 55 55 THR H H 55 8.189 8.189 7.803 0.386 17843
2053 1 10 . 1 1 2 2 THR N N 2 128.406 128.406 112.315 16.091 17843
2054 1 10 . 1 1 2 2 THR HA H 2 4.338 4.338 4.259 0.079 17843
2055 1 10 . 1 1 2 2 THR C C 2 176.278 176.278 175.113 1.165 17843
2056 1 10 . 1 1 2 2 THR H H 2 7.964 7.964 8.040 -0.076 17843
2057 1 10 . 1 1 3 3 TYR N N 3 124.128 124.128 120.551 3.577 17843
2058 1 10 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.344 -0.142 17843
2059 1 10 . 1 1 3 3 TYR C C 3 175.400 175.400 176.206 -0.806 17843
2060 1 10 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.343 -1.271 17843
2061 1 10 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.338 0.508 17843
2062 1 10 . 1 1 3 3 TYR H H 3 8.369 8.369 7.792 0.577 17843
2063 1 10 . 1 1 4 4 LYS N N 4 123.685 123.685 121.062 2.623 17843
2064 1 10 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.522 -0.409 17843
2065 1 10 . 1 1 4 4 LYS C C 4 175.956 175.956 175.217 0.739 17843
2066 1 10 . 1 1 4 4 LYS CA C 4 56.135 56.135 55.267 0.868 17843
2067 1 10 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.781 0.977 17843
2068 1 10 . 1 1 4 4 LYS H H 4 8.012 8.012 7.893 0.119 17843
2069 1 10 . 1 1 5 5 LEU N N 5 122.275 122.275 123.910 -1.635 17843
2070 1 10 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.184 -0.008 17843
2071 1 10 . 1 1 5 5 LEU C C 5 176.937 176.937 176.893 0.044 17843
2072 1 10 . 1 1 5 5 LEU CA C 5 55.520 55.520 53.970 1.550 17843
2073 1 10 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.130 -0.122 17843
2074 1 10 . 1 1 5 5 LEU H H 5 7.929 7.929 8.075 -0.146 17843
2075 1 10 . 1 1 6 6 ILE N N 6 123.581 123.581 121.678 1.903 17843
2076 1 10 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.288 -0.073 17843
2077 1 10 . 1 1 6 6 ILE C C 6 176.732 176.732 176.974 -0.242 17843
2078 1 10 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.800 0.193 17843
2079 1 10 . 1 1 6 6 ILE CB C 6 38.612 38.612 39.217 -0.605 17843
2080 1 10 . 1 1 6 6 ILE H H 6 8.116 8.116 8.320 -0.204 17843
2081 1 10 . 1 1 7 7 LEU N N 7 125.222 125.222 127.050 -1.828 17843
2082 1 10 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.443 -0.331 17843
2083 1 10 . 1 1 7 7 LEU C C 7 177.405 177.405 176.904 0.501 17843
2084 1 10 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.440 -0.899 17843
2085 1 10 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.192 0.401 17843
2086 1 10 . 1 1 7 7 LEU H H 7 8.034 8.034 8.795 -0.761 17843
2087 1 10 . 1 1 8 8 ASN N N 8 118.212 118.212 117.399 0.813 17843
2088 1 10 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.643 -0.441 17843
2089 1 10 . 1 1 8 8 ASN C C 8 174.463 174.463 176.425 -1.962 17843
2090 1 10 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.209 -0.136 17843
2091 1 10 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.395 -0.607 17843
2092 1 10 . 1 1 8 8 ASN H H 8 8.127 8.127 7.684 0.443 17843
2093 1 10 . 1 1 9 9 LEU N N 9 122.727 122.727 128.807 -6.080 17843
2094 1 10 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.970 0.257 17843
2095 1 10 . 1 1 9 9 LEU C C 9 177.595 177.595 177.975 -0.380 17843
2096 1 10 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.166 0.443 17843
2097 1 10 . 1 1 9 9 LEU H H 9 8.204 8.204 8.913 -0.709 17843
2098 1 10 . 1 1 10 10 LYS N N 10 118.199 118.199 118.741 -0.542 17843
2099 1 10 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.870 0.141 17843
2100 1 10 . 1 1 10 10 LYS H H 10 7.952 7.952 7.934 0.018 17843
2101 1 10 . 1 1 11 11 GLN N N 11 117.600 117.600 118.176 -0.576 17843
2102 1 10 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.278 -0.294 17843
2103 1 10 . 1 1 11 11 GLN C C 11 179.161 179.161 178.659 0.502 17843
2104 1 10 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.755 -1.819 17843
2105 1 10 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.847 1.042 17843
2106 1 10 . 1 1 11 11 GLN H H 11 7.586 7.586 8.601 -1.015 17843
2107 1 10 . 1 1 12 12 ALA N N 12 122.858 122.858 123.444 -0.586 17843
2108 1 10 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.036 -0.025 17843
2109 1 10 . 1 1 12 12 ALA C C 12 179.161 179.161 179.360 -0.199 17843
2110 1 10 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.456 0.544 17843
2111 1 10 . 1 1 12 12 ALA H H 12 8.285 8.285 8.615 -0.330 17843
2112 1 10 . 1 1 13 13 LYS N N 13 116.783 116.783 119.059 -2.276 17843
2113 1 10 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.994 0.003 17843
2114 1 10 . 1 1 13 13 LYS C C 13 177.669 177.669 179.159 -1.490 17843
2115 1 10 . 1 1 13 13 LYS CA C 13 59.502 59.502 60.044 -0.542 17843
2116 1 10 . 1 1 13 13 LYS H H 13 8.086 8.086 8.375 -0.289 17843
2117 1 10 . 1 1 14 14 GLU N N 14 116.603 116.603 119.530 -2.927 17843
2118 1 10 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.064 -0.041 17843
2119 1 10 . 1 1 14 14 GLU C C 14 180.113 180.113 179.494 0.619 17843
2120 1 10 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.563 -0.808 17843
2121 1 10 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.595 0.236 17843
2122 1 10 . 1 1 14 14 GLU H H 14 7.533 7.533 8.058 -0.525 17843
2123 1 10 . 1 1 15 15 GLU N N 15 119.346 119.346 118.713 0.633 17843
2124 1 10 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.193 -0.157 17843
2125 1 10 . 1 1 15 15 GLU C C 15 178.283 178.283 178.890 -0.607 17843
2126 1 10 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.540 -1.486 17843
2127 1 10 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.219 0.729 17843
2128 1 10 . 1 1 15 15 GLU H H 15 8.284 8.284 8.038 0.246 17843
2129 1 10 . 1 1 16 16 ALA N N 16 122.070 122.070 122.146 -0.076 17843
2130 1 10 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.137 -0.114 17843
2131 1 10 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.324 -0.096 17843
2132 1 10 . 1 1 16 16 ALA H H 16 8.338 8.338 8.158 0.180 17843
2133 1 10 . 1 1 18 18 LYS C C 18 178.327 178.327 178.394 -0.067 17843
2134 1 10 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.040 -2.460 17843
2135 1 10 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.111 0.354 17843
2136 1 10 . 1 1 19 19 GLU N N 19 118.876 118.876 118.209 0.667 17843
2137 1 10 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.156 0.008 17843
2138 1 10 . 1 1 19 19 GLU C C 19 178.210 178.210 179.123 -0.913 17843
2139 1 10 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.291 -1.475 17843
2140 1 10 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.361 0.236 17843
2141 1 10 . 1 1 19 19 GLU H H 19 8.187 8.187 7.733 0.454 17843
2142 1 10 . 1 1 20 20 LEU N N 20 120.207 120.207 120.222 -0.015 17843
2143 1 10 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.156 -0.056 17843
2144 1 10 . 1 1 20 20 LEU C C 20 178.825 178.825 179.070 -0.245 17843
2145 1 10 . 1 1 20 20 LEU CA C 20 57.555 57.555 57.743 -0.188 17843
2146 1 10 . 1 1 20 20 LEU H H 20 7.957 7.957 7.427 0.530 17843
2147 1 10 . 1 1 21 21 VAL N N 21 122.396 122.396 120.556 1.840 17843
2148 1 10 . 1 1 21 21 VAL C C 21 177.830 177.830 178.223 -0.393 17843
2149 1 10 . 1 1 21 21 VAL H H 21 8.807 8.807 8.007 0.800 17843
2150 1 10 . 1 1 22 22 ASP N N 22 122.142 122.142 120.103 2.039 17843
2151 1 10 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.448 -0.258 17843
2152 1 10 . 1 1 22 22 ASP H H 22 8.146 8.146 7.911 0.235 17843
2153 1 10 . 1 1 23 23 ALA C C 23 177.615 177.615 178.435 -0.820 17843
2154 1 10 . 1 1 24 24 GLY N N 24 108.124 108.124 106.159 1.965 17843
2155 1 10 . 1 1 24 24 GLY C C 24 174.273 174.273 174.354 -0.081 17843
2156 1 10 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.991 0.237 17843
2157 1 10 . 1 1 24 24 GLY H H 24 8.015 8.015 7.891 0.124 17843
2158 1 10 . 1 1 25 25 ILE N N 25 118.141 118.141 121.938 -3.797 17843
2159 1 10 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.257 -0.285 17843
2160 1 10 . 1 1 25 25 ILE C C 25 175.810 175.810 175.215 0.595 17843
2161 1 10 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.630 -2.445 17843
2162 1 10 . 1 1 25 25 ILE H H 25 7.776 7.776 8.172 -0.396 17843
2163 1 10 . 1 1 26 26 ALA N N 26 127.540 127.540 130.629 -3.089 17843
2164 1 10 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.741 -0.654 17843
2165 1 10 . 1 1 26 26 ALA C C 26 177.683 177.683 178.513 -0.830 17843
2166 1 10 . 1 1 26 26 ALA CA C 26 54.774 54.774 54.227 0.547 17843
2167 1 10 . 1 1 26 26 ALA CB C 26 18.824 18.824 19.080 -0.256 17843
2168 1 10 . 1 1 26 26 ALA H H 26 8.316 8.316 8.873 -0.557 17843
2169 1 10 . 1 1 27 27 GLU N N 27 120.829 120.829 118.756 2.073 17843
2170 1 10 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.164 -0.026 17843
2171 1 10 . 1 1 27 27 GLU C C 27 176.322 176.322 178.414 -2.092 17843
2172 1 10 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.332 -2.216 17843
2173 1 10 . 1 1 27 27 GLU H H 27 8.188 8.188 8.557 -0.369 17843
2174 1 10 . 1 1 28 28 LYS N N 28 116.307 116.307 117.078 -0.771 17843
2175 1 10 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.185 -0.277 17843
2176 1 10 . 1 1 28 28 LYS C C 28 177.464 177.464 178.764 -1.300 17843
2177 1 10 . 1 1 28 28 LYS H H 28 8.018 8.018 8.546 -0.528 17843
2178 1 10 . 1 1 29 29 TYR N N 29 117.013 117.013 115.781 1.232 17843
2179 1 10 . 1 1 29 29 TYR C C 29 177.595 177.595 176.520 1.075 17843
2180 1 10 . 1 1 29 29 TYR CA C 29 59.629 59.629 59.809 -0.180 17843
2181 1 10 . 1 1 29 29 TYR CB C 29 38.144 38.144 37.949 0.195 17843
2182 1 10 . 1 1 29 29 TYR H H 29 7.291 7.291 8.184 -0.893 17843
2183 1 10 . 1 1 30 30 PHE N N 30 118.973 118.973 119.124 -0.151 17843
2184 1 10 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.370 -0.283 17843
2185 1 10 . 1 1 30 30 PHE C C 30 177.083 177.083 176.268 0.815 17843
2186 1 10 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.031 -1.098 17843
2187 1 10 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.158 4.894 17843
2188 1 10 . 1 1 30 30 PHE H H 30 7.957 7.957 7.202 0.755 17843
2189 1 10 . 1 1 31 31 LYS N N 31 118.711 118.711 118.658 0.053 17843
2190 1 10 . 1 1 31 31 LYS HA H 31 4.011 4.011 3.937 0.074 17843
2191 1 10 . 1 1 31 31 LYS C C 31 177.449 177.449 178.106 -0.657 17843
2192 1 10 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.537 0.306 17843
2193 1 10 . 1 1 31 31 LYS H H 31 7.863 7.863 8.070 -0.207 17843
2194 1 10 . 1 1 32 32 LEU N N 32 117.926 117.926 121.313 -3.387 17843
2195 1 10 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.910 -0.092 17843
2196 1 10 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.874 -0.762 17843
2197 1 10 . 1 1 32 32 LEU H H 32 7.297 7.297 7.284 0.013 17843
2198 1 10 . 1 1 33 33 ILE N N 33 118.783 118.783 119.132 -0.349 17843
2199 1 10 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.894 0.091 17843
2200 1 10 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.361 -1.547 17843
2201 1 10 . 1 1 33 33 ILE H H 33 7.709 7.709 8.212 -0.503 17843
2202 1 10 . 1 1 35 35 ASN C C 35 175.400 175.400 175.110 0.290 17843
2203 1 10 . 1 1 35 35 ASN CA C 35 52.286 52.286 53.674 -1.388 17843
2204 1 10 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.483 0.422 17843
2205 1 10 . 1 1 36 36 ALA N N 36 124.207 124.207 122.442 1.765 17843
2206 1 10 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.159 0.798 17843
2207 1 10 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.951 0.550 17843
2208 1 10 . 1 1 36 36 ALA H H 36 7.292 7.292 7.275 0.017 17843
2209 1 10 . 1 1 37 37 LYS C C 37 176.761 176.761 175.879 0.882 17843
2210 1 10 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.379 -0.087 17843
2211 1 10 . 1 1 38 38 THR N N 38 106.253 106.253 109.897 -3.644 17843
2212 1 10 . 1 1 38 38 THR HA H 38 4.407 4.407 4.343 0.064 17843
2213 1 10 . 1 1 38 38 THR C C 38 174.112 174.112 174.078 0.034 17843
2214 1 10 . 1 1 38 38 THR H H 38 7.273 7.273 7.299 -0.026 17843
2215 1 10 . 1 1 39 39 VAL N N 39 122.396 122.396 121.213 1.183 17843
2216 1 10 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.381 0.591 17843
2217 1 10 . 1 1 39 39 VAL C C 39 176.527 176.527 176.349 0.178 17843
2218 1 10 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.791 2.760 17843
2219 1 10 . 1 1 39 39 VAL H H 39 8.821 8.821 8.535 0.286 17843
2220 1 10 . 1 1 40 40 GLU N N 40 117.771 117.771 118.667 -0.896 17843
2221 1 10 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.750 0.171 17843
2222 1 10 . 1 1 40 40 GLU C C 40 179.574 179.574 178.628 0.946 17843
2223 1 10 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.315 0.779 17843
2224 1 10 . 1 1 40 40 GLU H H 40 8.596 8.596 8.411 0.185 17843
2225 1 10 . 1 1 41 41 GLY N N 41 108.656 108.656 108.322 0.334 17843
2226 1 10 . 1 1 41 41 GLY C C 41 176.264 176.264 175.473 0.791 17843
2227 1 10 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.707 -1.128 17843
2228 1 10 . 1 1 41 41 GLY H H 41 7.945 7.945 7.867 0.078 17843
2229 1 10 . 1 1 42 42 VAL N N 42 121.716 121.716 121.490 0.226 17843
2230 1 10 . 1 1 42 42 VAL C C 42 177.273 177.273 177.624 -0.351 17843
2231 1 10 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.026 0.706 17843
2232 1 10 . 1 1 42 42 VAL H H 42 7.809 7.809 7.511 0.298 17843
2233 1 10 . 1 1 43 43 TRP N N 43 118.909 118.909 119.833 -0.924 17843
2234 1 10 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.412 -0.465 17843
2235 1 10 . 1 1 43 43 TRP C C 43 178.781 178.781 178.926 -0.145 17843
2236 1 10 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.545 0.059 17843
2237 1 10 . 1 1 43 43 TRP H H 43 7.498 7.498 7.911 -0.413 17843
2238 1 10 . 1 1 44 44 THR N N 44 116.154 116.154 116.738 -0.584 17843
2239 1 10 . 1 1 44 44 THR HA H 44 3.985 3.985 4.112 -0.128 17843
2240 1 10 . 1 1 44 44 THR C C 44 177.639 177.639 176.952 0.687 17843
2241 1 10 . 1 1 44 44 THR CA C 44 66.629 66.629 66.918 -0.290 17843
2242 1 10 . 1 1 44 44 THR H H 44 8.157 8.157 8.228 -0.071 17843
2243 1 10 . 1 1 45 45 TYR N N 45 121.630 121.630 120.823 0.807 17843
2244 1 10 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.290 -0.062 17843
2245 1 10 . 1 1 45 45 TYR H H 45 8.066 8.066 8.207 -0.141 17843
2246 1 10 . 1 1 46 46 LYS N N 46 119.502 119.502 120.717 -1.215 17843
2247 1 10 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.787 -0.168 17843
2248 1 10 . 1 1 46 46 LYS H H 46 8.422 8.422 8.368 0.054 17843
2249 1 10 . 1 1 47 47 ASP N N 47 117.441 117.441 119.259 -1.818 17843
2250 1 10 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.301 -0.290 17843
2251 1 10 . 1 1 47 47 ASP C C 47 174.917 174.917 178.653 -3.736 17843
2252 1 10 . 1 1 47 47 ASP H H 47 7.446 7.446 7.978 -0.532 17843
2253 1 10 . 1 1 48 48 GLU N N 48 121.387 121.387 119.513 1.874 17843
2254 1 10 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.909 0.050 17843
2255 1 10 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.510 1.387 17843
2256 1 10 . 1 1 48 48 GLU H H 48 7.718 7.718 7.375 0.343 17843
2257 1 10 . 1 1 50 50 LYS C C 50 176.922 176.922 178.733 -1.811 17843
2258 1 10 . 1 1 51 51 THR N N 51 110.556 110.556 116.148 -5.592 17843
2259 1 10 . 1 1 51 51 THR HA H 51 4.164 4.164 4.019 0.145 17843
2260 1 10 . 1 1 51 51 THR C C 51 175.429 175.429 176.872 -1.443 17843
2261 1 10 . 1 1 51 51 THR H H 51 7.510 7.510 7.431 0.079 17843
2262 1 10 . 1 1 52 52 PHE N N 52 121.424 121.424 120.636 0.788 17843
2263 1 10 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.645 -0.903 17843
2264 1 10 . 1 1 52 52 PHE C C 52 177.914 177.914 178.633 -0.719 17843
2265 1 10 . 1 1 52 52 PHE H H 52 7.574 7.574 7.766 -0.192 17843
2266 1 10 . 1 1 53 53 THR N N 53 114.075 114.075 116.062 -1.987 17843
2267 1 10 . 1 1 53 53 THR C C 53 177.639 177.639 176.793 0.846 17843
2268 1 10 . 1 1 53 53 THR H H 53 7.897 7.897 8.353 -0.456 17843
2269 1 10 . 1 1 54 54 VAL N N 54 122.414 122.414 120.288 2.126 17843
2270 1 10 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.778 0.463 17843
2271 1 10 . 1 1 54 54 VAL C C 54 179.601 179.601 177.403 2.198 17843
2272 1 10 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.442 -2.774 17843
2273 1 10 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.048 0.768 17843
2274 1 10 . 1 1 54 54 VAL H H 54 8.069 8.069 7.949 0.120 17843
2275 1 10 . 1 1 55 55 THR N N 55 118.343 118.343 110.115 8.228 17843
2276 1 10 . 1 1 55 55 THR HA H 55 4.126 4.126 4.273 -0.147 17843
2277 1 10 . 1 1 55 55 THR C C 55 173.658 173.658 175.466 -1.808 17843
2278 1 10 . 1 1 55 55 THR CA C 55 61.819 61.819 63.661 -1.842 17843
2279 1 10 . 1 1 55 55 THR CB C 55 70.154 70.154 69.314 0.840 17843
2280 1 10 . 1 1 55 55 THR H H 55 8.189 8.189 7.936 0.253 17843
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 46 3.237 -0.495 3.234 17843
2 1 1 "Average Difference" HA 39 0.276 0.085 0.266 17843
3 1 1 "Average Difference" C 42 1.360 0.193 1.362 17843
4 1 1 "Average Difference" CA 38 1.490 0.525 1.413 17843
5 1 1 "Average Difference" CB 17 1.462 -0.657 1.346 17843
6 1 1 "Average Difference" HN 46 0.385 -0.034 0.388 17843
7 1 2 "Average Difference" N 46 3.127 -0.441 3.130 17843
8 1 2 "Average Difference" HA 39 0.328 0.026 0.331 17843
9 1 2 "Average Difference" C 42 1.136 0.268 1.117 17843
10 1 2 "Average Difference" CA 38 1.369 0.408 1.325 17843
11 1 2 "Average Difference" CB 17 1.615 -0.819 1.434 17843
12 1 2 "Average Difference" HN 46 0.493 0.007 0.499 17843
13 1 3 "Average Difference" N 46 3.279 -0.097 3.314 17843
14 1 3 "Average Difference" HA 39 0.253 0.031 0.254 17843
15 1 3 "Average Difference" C 42 1.147 0.156 1.151 17843
16 1 3 "Average Difference" CA 38 1.340 0.518 1.252 17843
17 1 3 "Average Difference" CB 17 1.502 -0.637 1.403 17843
18 1 3 "Average Difference" HN 46 0.445 0.022 0.450 17843
19 1 4 "Average Difference" N 46 3.163 -0.304 3.184 17843
20 1 4 "Average Difference" HA 39 0.376 -0.023 0.380 17843
21 1 4 "Average Difference" C 42 1.207 0.187 1.207 17843
22 1 4 "Average Difference" CA 38 1.408 0.565 1.307 17843
23 1 4 "Average Difference" CB 17 1.283 -0.695 1.112 17843
24 1 4 "Average Difference" HN 46 0.411 -0.034 0.414 17843
25 1 5 "Average Difference" N 46 3.379 -0.139 3.414 17843
26 1 5 "Average Difference" HA 39 0.249 0.070 0.243 17843
27 1 5 "Average Difference" C 42 1.266 -0.002 1.282 17843
28 1 5 "Average Difference" CA 38 1.260 0.333 1.232 17843
29 1 5 "Average Difference" CB 17 1.256 -0.434 1.215 17843
30 1 5 "Average Difference" HN 46 0.495 -0.008 0.500 17843
31 1 6 "Average Difference" N 46 3.639 -0.585 3.631 17843
32 1 6 "Average Difference" HA 39 0.260 0.023 0.263 17843
33 1 6 "Average Difference" C 42 1.283 0.292 1.265 17843
34 1 6 "Average Difference" CA 38 1.614 0.712 1.468 17843
35 1 6 "Average Difference" CB 17 1.317 -0.626 1.194 17843
36 1 6 "Average Difference" HN 46 0.409 -0.028 0.412 17843
37 1 7 "Average Difference" N 46 3.362 -0.411 3.374 17843
38 1 7 "Average Difference" HA 39 0.276 0.040 0.277 17843
39 1 7 "Average Difference" C 42 1.189 0.234 1.180 17843
40 1 7 "Average Difference" CA 38 1.320 0.498 1.238 17843
41 1 7 "Average Difference" CB 17 1.440 -0.609 1.345 17843
42 1 7 "Average Difference" HN 46 0.402 0.022 0.405 17843
43 1 8 "Average Difference" N 46 2.891 0.125 2.921 17843
44 1 8 "Average Difference" HA 39 0.311 0.046 0.312 17843
45 1 8 "Average Difference" C 42 1.256 0.157 1.261 17843
46 1 8 "Average Difference" CA 38 1.315 0.310 1.295 17843
47 1 8 "Average Difference" CB 17 1.312 -0.490 1.254 17843
48 1 8 "Average Difference" HN 46 0.350 0.019 0.354 17843
49 1 9 "Average Difference" N 46 3.065 -0.691 3.019 17843
50 1 9 "Average Difference" HA 39 0.343 0.050 0.344 17843
51 1 9 "Average Difference" C 42 1.086 0.205 1.079 17843
52 1 9 "Average Difference" CA 38 1.418 0.520 1.337 17843
53 1 9 "Average Difference" CB 17 1.572 -0.895 1.332 17843
54 1 9 "Average Difference" HN 46 0.434 -0.010 0.439 17843
55 1 10 "Average Difference" N 46 3.400 -0.176 3.433 17843
56 1 10 "Average Difference" HA 39 0.316 0.078 0.310 17843
57 1 10 "Average Difference" C 42 1.122 0.243 1.109 17843
58 1 10 "Average Difference" CA 38 1.275 0.426 1.218 17843
59 1 10 "Average Difference" CB 17 1.317 -0.589 1.215 17843
60 1 10 "Average Difference" HN 46 0.421 0.068 0.420 17843
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 17843
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 THR N N 2 128.406 128.406 117.471 10.935 17843
2 1 . 1 1 2 2 THR HA H 2 4.338 4.338 4.180 0.158 17843
3 1 . 1 1 2 2 THR C C 2 176.278 176.278 175.195 1.083 17843
4 1 . 1 1 2 2 THR H H 2 7.964 7.964 8.270 -0.306 17843
5 1 . 1 1 3 3 TYR N N 3 124.128 124.128 120.194 3.934 17843
6 1 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.381 -0.179 17843
7 1 . 1 1 3 3 TYR C C 3 175.400 175.400 176.341 -0.941 17843
8 1 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.035 -0.964 17843
9 1 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.081 0.765 17843
10 1 . 1 1 3 3 TYR H H 3 8.369 8.369 8.113 0.256 17843
11 1 . 1 1 4 4 LYS N N 4 123.685 123.685 118.011 5.674 17843
12 1 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.832 0.281 17843
13 1 . 1 1 4 4 LYS C C 4 175.956 175.956 176.731 -0.775 17843
14 1 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.090 -0.955 17843
15 1 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.172 0.586 17843
16 1 . 1 1 4 4 LYS H H 4 8.012 8.012 7.538 0.474 17843
17 1 . 1 1 5 5 LEU N N 5 122.275 122.275 119.137 3.138 17843
18 1 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.166 0.010 17843
19 1 . 1 1 5 5 LEU C C 5 176.937 176.937 176.764 0.173 17843
20 1 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.898 0.622 17843
21 1 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.729 -0.721 17843
22 1 . 1 1 5 5 LEU H H 5 7.929 7.929 7.524 0.405 17843
23 1 . 1 1 6 6 ILE N N 6 123.581 123.581 120.942 2.639 17843
24 1 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.067 0.148 17843
25 1 . 1 1 6 6 ILE C C 6 176.732 176.732 176.053 0.679 17843
26 1 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.733 0.259 17843
27 1 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.274 0.338 17843
28 1 . 1 1 6 6 ILE H H 6 8.116 8.116 7.819 0.297 17843
29 1 . 1 1 7 7 LEU N N 7 125.222 125.222 127.757 -2.535 17843
30 1 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.261 -0.149 17843
31 1 . 1 1 7 7 LEU C C 7 177.405 177.405 177.129 0.276 17843
32 1 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.193 -0.652 17843
33 1 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.326 0.267 17843
34 1 . 1 1 7 7 LEU H H 7 8.034 8.034 8.552 -0.517 17843
35 1 . 1 1 8 8 ASN N N 8 118.212 118.212 117.448 0.764 17843
36 1 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.670 -0.467 17843
37 1 . 1 1 8 8 ASN C C 8 174.463 174.463 176.530 -2.067 17843
38 1 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.486 -0.413 17843
39 1 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.781 0.007 17843
40 1 . 1 1 8 8 ASN H H 8 8.127 8.127 8.043 0.083 17843
41 1 . 1 1 9 9 LEU N N 9 122.727 122.727 126.080 -3.353 17843
42 1 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.039 0.188 17843
43 1 . 1 1 9 9 LEU C C 9 177.595 177.595 178.061 -0.466 17843
44 1 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.821 0.788 17843
45 1 . 1 1 9 9 LEU H H 9 8.204 8.204 8.506 -0.302 17843
46 1 . 1 1 10 10 LYS N N 10 118.199 118.199 118.951 -0.752 17843
47 1 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.921 0.090 17843
48 1 . 1 1 10 10 LYS H H 10 7.952 7.952 8.143 -0.191 17843
49 1 . 1 1 11 11 GLN N N 11 117.600 117.600 118.084 -0.484 17843
50 1 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.191 -0.206 17843
51 1 . 1 1 11 11 GLN C C 11 179.161 179.161 178.281 0.880 17843
52 1 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.636 -1.700 17843
53 1 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.616 1.273 17843
54 1 . 1 1 11 11 GLN H H 11 7.586 7.586 8.245 -0.659 17843
55 1 . 1 1 12 12 ALA N N 12 122.858 122.858 122.684 0.173 17843
56 1 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.080 -0.069 17843
57 1 . 1 1 12 12 ALA C C 12 179.161 179.161 179.244 -0.083 17843
58 1 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.225 0.775 17843
59 1 . 1 1 12 12 ALA H H 12 8.285 8.285 8.259 0.026 17843
60 1 . 1 1 13 13 LYS N N 13 116.783 116.783 118.872 -2.089 17843
61 1 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.966 0.031 17843
62 1 . 1 1 13 13 LYS C C 13 177.669 177.669 178.718 -1.049 17843
63 1 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.715 -0.213 17843
64 1 . 1 1 13 13 LYS H H 13 8.086 8.086 8.219 -0.133 17843
65 1 . 1 1 14 14 GLU N N 14 116.603 116.603 119.484 -2.881 17843
66 1 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.012 0.011 17843
67 1 . 1 1 14 14 GLU C C 14 180.113 180.113 179.185 0.928 17843
68 1 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.527 -0.771 17843
69 1 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.478 0.353 17843
70 1 . 1 1 14 14 GLU H H 14 7.533 7.533 7.972 -0.439 17843
71 1 . 1 1 15 15 GLU N N 15 119.346 119.346 119.335 0.011 17843
72 1 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.096 -0.060 17843
73 1 . 1 1 15 15 GLU C C 15 178.283 178.283 178.741 -0.458 17843
74 1 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.839 -1.785 17843
75 1 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.277 0.671 17843
76 1 . 1 1 15 15 GLU H H 15 8.284 8.284 8.043 0.241 17843
77 1 . 1 1 16 16 ALA N N 16 122.070 122.070 122.387 -0.317 17843
78 1 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.128 -0.105 17843
79 1 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.074 0.154 17843
80 1 . 1 1 16 16 ALA H H 16 8.338 8.338 7.888 0.451 17843
81 1 . 1 1 18 18 LYS C C 18 178.327 178.327 178.847 -0.520 17843
82 1 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.148 -2.568 17843
83 1 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.139 0.326 17843
84 1 . 1 1 19 19 GLU N N 19 118.876 118.876 119.021 -0.145 17843
85 1 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.170 -0.007 17843
86 1 . 1 1 19 19 GLU C C 19 178.210 178.210 179.189 -0.979 17843
87 1 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.929 -1.112 17843
88 1 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.446 0.150 17843
89 1 . 1 1 19 19 GLU H H 19 8.187 8.187 7.816 0.371 17843
90 1 . 1 1 20 20 LEU N N 20 120.207 120.207 120.809 -0.602 17843
91 1 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.034 0.066 17843
92 1 . 1 1 20 20 LEU C C 20 178.825 178.825 178.944 -0.119 17843
93 1 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.039 -0.484 17843
94 1 . 1 1 20 20 LEU H H 20 7.957 7.957 8.030 -0.073 17843
95 1 . 1 1 21 21 VAL N N 21 122.396 122.396 119.833 2.563 17843
96 1 . 1 1 21 21 VAL C C 21 177.830 177.830 178.046 -0.216 17843
97 1 . 1 1 21 21 VAL H H 21 8.807 8.807 8.137 0.670 17843
98 1 . 1 1 22 22 ASP N N 22 122.142 122.142 120.181 1.961 17843
99 1 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.431 -0.241 17843
100 1 . 1 1 22 22 ASP H H 22 8.146 8.146 7.989 0.157 17843
101 1 . 1 1 23 23 ALA C C 23 177.615 177.615 178.273 -0.658 17843
102 1 . 1 1 24 24 GLY N N 24 108.124 108.124 106.284 1.840 17843
103 1 . 1 1 24 24 GLY C C 24 174.273 174.273 174.497 -0.224 17843
104 1 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.924 0.304 17843
105 1 . 1 1 24 24 GLY H H 24 8.015 8.015 7.746 0.269 17843
106 1 . 1 1 25 25 ILE N N 25 118.141 118.141 121.927 -3.786 17843
107 1 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.237 -0.265 17843
108 1 . 1 1 25 25 ILE C C 25 175.810 175.810 175.293 0.517 17843
109 1 . 1 1 25 25 ILE CA C 25 58.185 58.185 59.574 -1.389 17843
110 1 . 1 1 25 25 ILE H H 25 7.776 7.776 8.138 -0.362 17843
111 1 . 1 1 26 26 ALA N N 26 127.540 127.540 130.441 -2.901 17843
112 1 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.163 -0.076 17843
113 1 . 1 1 26 26 ALA C C 26 177.683 177.683 179.062 -1.379 17843
114 1 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.240 -0.466 17843
115 1 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.775 0.049 17843
116 1 . 1 1 26 26 ALA H H 26 8.316 8.316 8.417 -0.100 17843
117 1 . 1 1 27 27 GLU N N 27 120.829 120.829 118.511 2.318 17843
118 1 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.098 0.040 17843
119 1 . 1 1 27 27 GLU C C 27 176.322 176.322 178.458 -2.136 17843
120 1 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.772 -2.656 17843
121 1 . 1 1 27 27 GLU H H 27 8.188 8.188 8.642 -0.454 17843
122 1 . 1 1 28 28 LYS N N 28 116.307 116.307 117.185 -0.878 17843
123 1 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.148 -0.240 17843
124 1 . 1 1 28 28 LYS C C 28 177.464 177.464 178.747 -1.283 17843
125 1 . 1 1 28 28 LYS H H 28 8.018 8.018 8.054 -0.036 17843
126 1 . 1 1 29 29 TYR N N 29 117.013 117.013 119.860 -2.847 17843
127 1 . 1 1 29 29 TYR C C 29 177.595 177.595 176.477 1.118 17843
128 1 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.122 -1.493 17843
129 1 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.093 0.051 17843
130 1 . 1 1 29 29 TYR H H 29 7.291 7.291 7.865 -0.574 17843
131 1 . 1 1 30 30 PHE N N 30 118.973 118.973 115.988 2.985 17843
132 1 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.356 -0.269 17843
133 1 . 1 1 30 30 PHE C C 30 177.083 177.083 176.529 0.554 17843
134 1 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.800 -1.866 17843
135 1 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.061 4.991 17843
136 1 . 1 1 30 30 PHE H H 30 7.957 7.957 7.611 0.346 17843
137 1 . 1 1 31 31 LYS N N 31 118.711 118.711 118.564 0.147 17843
138 1 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.113 -0.102 17843
139 1 . 1 1 31 31 LYS C C 31 177.449 177.449 177.972 -0.523 17843
140 1 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.629 0.214 17843
141 1 . 1 1 31 31 LYS H H 31 7.863 7.863 7.933 -0.070 17843
142 1 . 1 1 32 32 LEU N N 32 117.926 117.926 120.861 -2.935 17843
143 1 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.887 -0.069 17843
144 1 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.688 -0.576 17843
145 1 . 1 1 32 32 LEU H H 32 7.297 7.297 7.540 -0.243 17843
146 1 . 1 1 33 33 ILE N N 33 118.783 118.783 118.322 0.461 17843
147 1 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.852 0.133 17843
148 1 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.156 -1.342 17843
149 1 . 1 1 33 33 ILE H H 33 7.709 7.709 7.723 -0.014 17843
150 1 . 1 1 35 35 ASN C C 35 175.400 175.400 174.651 0.749 17843
151 1 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.529 -0.243 17843
152 1 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.673 0.232 17843
153 1 . 1 1 36 36 ALA N N 36 124.207 124.207 122.834 1.373 17843
154 1 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.349 0.608 17843
155 1 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.686 0.815 17843
156 1 . 1 1 36 36 ALA H H 36 7.292 7.292 7.428 -0.136 17843
157 1 . 1 1 37 37 LYS C C 37 176.761 176.761 176.088 0.673 17843
158 1 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.020 -0.729 17843
159 1 . 1 1 38 38 THR N N 38 106.253 106.253 109.319 -3.066 17843
160 1 . 1 1 38 38 THR HA H 38 4.407 4.407 4.370 0.037 17843
161 1 . 1 1 38 38 THR C C 38 174.112 174.112 174.548 -0.436 17843
162 1 . 1 1 38 38 THR H H 38 7.273 7.273 7.327 -0.054 17843
163 1 . 1 1 39 39 VAL N N 39 122.396 122.396 120.549 1.847 17843
164 1 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.616 0.356 17843
165 1 . 1 1 39 39 VAL C C 39 176.527 176.527 176.574 -0.047 17843
166 1 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.731 2.821 17843
167 1 . 1 1 39 39 VAL H H 39 8.821 8.821 8.544 0.277 17843
168 1 . 1 1 40 40 GLU N N 40 117.771 117.771 119.657 -1.886 17843
169 1 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.889 0.032 17843
170 1 . 1 1 40 40 GLU C C 40 179.574 179.574 178.697 0.877 17843
171 1 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.351 0.743 17843
172 1 . 1 1 40 40 GLU H H 40 8.596 8.596 8.381 0.215 17843
173 1 . 1 1 41 41 GLY N N 41 108.656 108.656 108.288 0.368 17843
174 1 . 1 1 41 41 GLY C C 41 176.264 176.264 175.443 0.821 17843
175 1 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.689 -1.110 17843
176 1 . 1 1 41 41 GLY H H 41 7.945 7.945 7.921 0.024 17843
177 1 . 1 1 42 42 VAL N N 42 121.716 121.716 121.452 0.264 17843
178 1 . 1 1 42 42 VAL C C 42 177.273 177.273 177.479 -0.206 17843
179 1 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.962 0.770 17843
180 1 . 1 1 42 42 VAL H H 42 7.809 7.809 7.411 0.398 17843
181 1 . 1 1 43 43 TRP N N 43 118.909 118.909 120.389 -1.480 17843
182 1 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.368 -0.421 17843
183 1 . 1 1 43 43 TRP C C 43 178.781 178.781 178.517 0.264 17843
184 1 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.135 -0.531 17843
185 1 . 1 1 43 43 TRP H H 43 7.498 7.498 8.045 -0.547 17843
186 1 . 1 1 44 44 THR N N 44 116.154 116.154 116.266 -0.112 17843
187 1 . 1 1 44 44 THR HA H 44 3.985 3.985 4.009 -0.024 17843
188 1 . 1 1 44 44 THR C C 44 177.639 177.639 176.797 0.842 17843
189 1 . 1 1 44 44 THR CA C 44 66.629 66.629 66.811 -0.182 17843
190 1 . 1 1 44 44 THR H H 44 8.157 8.157 8.029 0.128 17843
191 1 . 1 1 45 45 TYR N N 45 121.630 121.630 120.343 1.287 17843
192 1 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.265 -0.037 17843
193 1 . 1 1 45 45 TYR H H 45 8.066 8.066 8.017 0.049 17843
194 1 . 1 1 46 46 LYS N N 46 119.502 119.502 120.384 -0.882 17843
195 1 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.790 -0.172 17843
196 1 . 1 1 46 46 LYS H H 46 8.422 8.422 7.999 0.423 17843
197 1 . 1 1 47 47 ASP N N 47 117.441 117.441 118.934 -1.493 17843
198 1 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.402 -0.391 17843
199 1 . 1 1 47 47 ASP C C 47 174.917 174.917 178.600 -3.683 17843
200 1 . 1 1 47 47 ASP H H 47 7.446 7.446 7.851 -0.405 17843
201 1 . 1 1 48 48 GLU N N 48 121.387 121.387 119.917 1.470 17843
202 1 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.950 0.009 17843
203 1 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.581 1.316 17843
204 1 . 1 1 48 48 GLU H H 48 7.718 7.718 7.688 0.030 17843
205 1 . 1 1 50 50 LYS C C 50 176.922 176.922 178.711 -1.789 17843
206 1 . 1 1 51 51 THR N N 51 110.556 110.556 115.254 -4.698 17843
207 1 . 1 1 51 51 THR HA H 51 4.164 4.164 4.099 0.065 17843
208 1 . 1 1 51 51 THR C C 51 175.429 175.429 176.348 -0.919 17843
209 1 . 1 1 51 51 THR H H 51 7.510 7.510 7.609 -0.099 17843
210 1 . 1 1 52 52 PHE N N 52 121.424 121.424 120.990 0.434 17843
211 1 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.541 -0.799 17843
212 1 . 1 1 52 52 PHE C C 52 177.914 177.914 177.923 -0.009 17843
213 1 . 1 1 52 52 PHE H H 52 7.574 7.574 7.908 -0.334 17843
214 1 . 1 1 53 53 THR N N 53 114.075 114.075 113.997 0.077 17843
215 1 . 1 1 53 53 THR C C 53 177.639 177.639 176.078 1.561 17843
216 1 . 1 1 53 53 THR H H 53 7.897 7.897 8.094 -0.197 17843
217 1 . 1 1 54 54 VAL N N 54 122.414 122.414 121.057 1.357 17843
218 1 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.834 0.407 17843
219 1 . 1 1 54 54 VAL C C 54 179.601 179.601 177.243 2.358 17843
220 1 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.016 -2.348 17843
221 1 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.042 0.774 17843
222 1 . 1 1 54 54 VAL H H 54 8.069 8.069 7.784 0.285 17843
223 1 . 1 1 55 55 THR N N 55 118.343 118.343 111.457 6.886 17843
224 1 . 1 1 55 55 THR HA H 55 4.126 4.126 4.272 -0.146 17843
225 1 . 1 1 55 55 THR C C 55 173.658 173.658 175.163 -1.505 17843
226 1 . 1 1 55 55 THR CA C 55 61.819 61.819 62.972 -1.153 17843
227 1 . 1 1 55 55 THR CB C 55 70.154 70.154 69.299 0.855 17843
228 1 . 1 1 55 55 THR H H 55 8.189 8.189 7.923 0.266 17843
stop_
save_