data_18393
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18393
_Entry.PDB_ID 2LRS
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 18393
_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 ASP N N 16 119.381 119.381 122.084 -2.703 18393
2 1 1 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.505 -0.165 18393
3 1 1 . 1 1 2 2 ASP C C 16 178.935 178.935 178.309 0.626 18393
4 1 1 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.241 0.467 18393
5 1 1 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.632 0.049 18393
6 1 1 . 1 1 2 2 ASP H H 16 8.320 8.320 8.690 -0.369 18393
7 1 1 . 1 1 3 3 ILE N N 17 121.475 121.475 119.350 2.125 18393
8 1 1 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.833 -0.287 18393
9 1 1 . 1 1 3 3 ILE C C 17 177.116 177.116 178.004 -0.888 18393
10 1 1 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.388 0.845 18393
11 1 1 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.601 0.100 18393
12 1 1 . 1 1 3 3 ILE H H 17 7.793 7.793 8.195 -0.402 18393
13 1 1 . 1 1 4 4 CYS N N 18 117.506 117.506 118.897 -1.391 18393
14 1 1 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.326 -0.384 18393
15 1 1 . 1 1 4 4 CYS C C 18 176.671 176.671 176.728 -0.057 18393
16 1 1 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.069 2.555 18393
17 1 1 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.966 -1.001 18393
18 1 1 . 1 1 4 4 CYS H H 18 7.823 7.823 7.770 0.053 18393
19 1 1 . 1 1 5 5 LEU N N 19 118.832 118.832 122.819 -3.987 18393
20 1 1 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.115 -0.019 18393
21 1 1 . 1 1 5 5 LEU C C 19 180.698 180.698 179.277 1.421 18393
22 1 1 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.937 0.000 18393
23 1 1 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.893 0.173 18393
24 1 1 . 1 1 5 5 LEU H H 19 8.101 8.101 8.424 -0.323 18393
25 1 1 . 1 1 6 6 ARG N N 20 119.443 119.443 120.095 -0.652 18393
26 1 1 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.955 -0.021 18393
27 1 1 . 1 1 6 6 ARG C C 20 178.169 178.169 177.821 0.348 18393
28 1 1 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.773 0.102 18393
29 1 1 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.154 -0.174 18393
30 1 1 . 1 1 6 6 ARG H H 20 7.934 7.934 8.432 -0.498 18393
31 1 1 . 1 1 7 7 LYS N N 21 116.636 116.636 116.108 0.528 18393
32 1 1 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.857 -0.084 18393
33 1 1 . 1 1 7 7 LYS C C 21 175.224 175.224 175.288 -0.064 18393
34 1 1 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.379 -0.301 18393
35 1 1 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.738 -0.221 18393
36 1 1 . 1 1 7 7 LYS H H 21 7.553 7.553 7.405 0.148 18393
37 1 1 . 1 1 8 8 ASN N N 22 114.898 114.898 115.437 -0.539 18393
38 1 1 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.332 -0.030 18393
39 1 1 . 1 1 8 8 ASN C C 22 174.073 174.073 174.354 -0.281 18393
40 1 1 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.286 0.147 18393
41 1 1 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.164 -0.147 18393
42 1 1 . 1 1 8 8 ASN H H 22 7.640 7.640 7.495 0.145 18393
43 1 1 . 1 1 9 9 TRP N N 23 120.563 120.563 120.222 0.341 18393
44 1 1 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.161 0.080 18393
45 1 1 . 1 1 9 9 TRP C C 23 173.601 173.601 174.909 -1.308 18393
46 1 1 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.419 -2.599 18393
47 1 1 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.664 0.910 18393
48 1 1 . 1 1 9 9 TRP H H 23 8.692 8.692 8.082 0.610 18393
49 1 1 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.485 -0.026 18393
50 1 1 . 1 1 10 10 PRO C C 24 175.391 175.391 176.536 -1.145 18393
51 1 1 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.414 -0.316 18393
52 1 1 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.583 -1.001 18393
53 1 1 . 1 1 11 11 MET N N 25 116.562 116.562 117.738 -1.176 18393
54 1 1 . 1 1 11 11 MET HA H 25 4.751 4.751 4.797 -0.046 18393
55 1 1 . 1 1 11 11 MET C C 25 175.240 175.240 175.282 -0.042 18393
56 1 1 . 1 1 11 11 MET CA C 25 53.800 53.800 52.967 0.833 18393
57 1 1 . 1 1 11 11 MET CB C 25 30.695 30.695 31.025 -0.330 18393
58 1 1 . 1 1 11 11 MET H H 25 8.201 8.201 8.365 -0.164 18393
59 1 1 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.650 -0.326 18393
60 1 1 . 1 1 12 12 PRO C C 26 174.890 174.890 176.194 -1.304 18393
61 1 1 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.818 0.663 18393
62 1 1 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.657 0.068 18393
63 1 1 . 1 1 13 13 SER N N 27 116.608 116.608 115.174 1.434 18393
64 1 1 . 1 1 13 13 SER HA H 27 4.781 4.781 4.741 0.040 18393
65 1 1 . 1 1 13 13 SER C C 27 173.365 173.365 173.520 -0.155 18393
66 1 1 . 1 1 13 13 SER CA C 27 57.219 57.219 58.408 -1.190 18393
67 1 1 . 1 1 13 13 SER CB C 27 64.227 64.227 64.027 0.200 18393
68 1 1 . 1 1 13 13 SER H H 27 8.555 8.555 8.490 0.065 18393
69 1 1 . 1 1 14 14 TYR N N 28 125.256 125.256 123.469 1.787 18393
70 1 1 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.066 0.555 18393
71 1 1 . 1 1 14 14 TYR C C 28 176.175 176.175 174.273 1.902 18393
72 1 1 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.947 -0.383 18393
73 1 1 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.972 0.888 18393
74 1 1 . 1 1 14 14 TYR H H 28 8.939 8.939 8.629 0.310 18393
75 1 1 . 1 1 15 15 ARG N N 29 120.540 120.540 124.640 -4.100 18393
76 1 1 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.581 -0.039 18393
77 1 1 . 1 1 15 15 ARG C C 29 173.134 173.134 174.431 -1.297 18393
78 1 1 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.550 -0.730 18393
79 1 1 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.102 0.619 18393
80 1 1 . 1 1 15 15 ARG H H 29 9.159 9.159 9.188 -0.029 18393
81 1 1 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.571 -1.674 18393
82 1 1 . 1 1 16 16 CYS C C 30 174.180 174.180 175.816 -1.636 18393
83 1 1 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.148 -1.429 18393
84 1 1 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.509 -2.403 18393
85 1 1 . 1 1 17 17 VAL N N 31 132.259 132.259 121.633 10.626 18393
86 1 1 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.115 -0.464 18393
87 1 1 . 1 1 17 17 VAL C C 31 175.711 175.711 175.866 -0.155 18393
88 1 1 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.125 0.961 18393
89 1 1 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.266 0.246 18393
90 1 1 . 1 1 17 17 VAL H H 31 8.659 8.659 8.425 0.234 18393
91 1 1 . 1 1 18 18 LYS N N 32 118.630 118.630 121.665 -3.035 18393
92 1 1 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.544 -0.184 18393
93 1 1 . 1 1 18 18 LYS C C 32 173.015 173.015 174.340 -1.325 18393
94 1 1 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.942 0.460 18393
95 1 1 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.097 0.907 18393
96 1 1 . 1 1 18 18 LYS H H 32 7.673 7.673 8.111 -0.438 18393
97 1 1 . 1 1 19 19 GLU N N 33 125.800 125.800 127.125 -1.325 18393
98 1 1 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.754 0.099 18393
99 1 1 . 1 1 19 19 GLU C C 33 175.060 175.060 175.955 -0.895 18393
100 1 1 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.069 -1.506 18393
101 1 1 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.565 -0.427 18393
102 1 1 . 1 1 19 19 GLU H H 33 8.431 8.431 8.658 -0.227 18393
103 1 1 . 1 1 20 20 GLY N N 34 111.079 111.079 113.781 -2.702 18393
104 1 1 . 1 1 20 20 GLY C C 34 172.318 172.318 172.632 -0.314 18393
105 1 1 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.370 -0.729 18393
106 1 1 . 1 1 20 20 GLY H H 34 8.345 8.345 8.552 -0.207 18393
107 1 1 . 1 1 21 21 GLY N N 35 107.395 107.395 106.688 0.707 18393
108 1 1 . 1 1 21 21 GLY C C 35 171.757 171.757 172.360 -0.603 18393
109 1 1 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.048 -1.312 18393
110 1 1 . 1 1 21 21 GLY H H 35 8.184 8.184 8.044 0.140 18393
111 1 1 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.501 -0.025 18393
112 1 1 . 1 1 22 22 PRO C C 36 177.171 177.171 176.232 0.939 18393
113 1 1 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.160 0.103 18393
114 1 1 . 1 1 22 22 PRO CB C 36 32.261 32.261 29.396 2.865 18393
115 1 1 . 1 1 23 23 ALA N N 37 120.595 120.595 123.333 -2.738 18393
116 1 1 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.827 -0.004 18393
117 1 1 . 1 1 23 23 ALA C C 37 178.547 178.547 177.407 1.140 18393
118 1 1 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.529 0.964 18393
119 1 1 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.276 1.275 18393
120 1 1 . 1 1 23 23 ALA H H 37 8.580 8.580 8.532 0.048 18393
121 1 1 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.636 -0.021 18393
122 1 1 . 1 1 24 24 HIS C C 38 174.890 174.890 174.633 0.257 18393
123 1 1 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.421 -0.560 18393
124 1 1 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.348 1.012 18393
125 1 1 . 1 1 25 25 ALA N N 39 128.271 128.271 122.219 6.052 18393
126 1 1 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.522 -0.048 18393
127 1 1 . 1 1 25 25 ALA C C 39 174.351 174.351 176.389 -2.038 18393
128 1 1 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.371 -0.055 18393
129 1 1 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.445 -1.334 18393
130 1 1 . 1 1 25 25 ALA H H 39 7.697 7.697 7.787 -0.090 18393
131 1 1 . 1 1 26 26 LYS N N 40 121.927 121.927 119.712 2.215 18393
132 1 1 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.419 -0.301 18393
133 1 1 . 1 1 26 26 LYS C C 40 177.551 177.551 175.498 2.053 18393
134 1 1 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.130 2.014 18393
135 1 1 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.199 0.873 18393
136 1 1 . 1 1 26 26 LYS H H 40 7.990 7.990 8.305 -0.315 18393
137 1 1 . 1 1 27 27 ARG N N 41 119.572 119.572 117.719 1.853 18393
138 1 1 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.006 0.632 18393
139 1 1 . 1 1 27 27 ARG C C 41 174.770 174.770 175.920 -1.150 18393
140 1 1 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.347 -1.869 18393
141 1 1 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.643 2.747 18393
142 1 1 . 1 1 27 27 ARG H H 41 8.296 8.296 7.420 0.876 18393
143 1 1 . 1 1 28 28 PHE N N 42 120.381 120.381 123.564 -3.183 18393
144 1 1 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.093 -0.046 18393
145 1 1 . 1 1 28 28 PHE C C 42 174.407 174.407 175.806 -1.399 18393
146 1 1 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.256 1.770 18393
147 1 1 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.663 2.466 18393
148 1 1 . 1 1 28 28 PHE H H 42 9.339 9.339 8.864 0.475 18393
149 1 1 . 1 1 29 29 THR N N 43 117.999 117.999 119.141 -1.142 18393
150 1 1 . 1 1 29 29 THR HA H 43 4.704 4.704 4.786 -0.082 18393
151 1 1 . 1 1 29 29 THR C C 43 173.713 173.713 173.088 0.625 18393
152 1 1 . 1 1 29 29 THR CA C 43 62.117 62.117 61.789 0.328 18393
153 1 1 . 1 1 29 29 THR CB C 43 70.104 70.104 70.985 -0.881 18393
154 1 1 . 1 1 29 29 THR H H 43 8.949 8.949 9.227 -0.278 18393
155 1 1 . 1 1 30 30 PHE N N 44 129.592 129.592 126.457 3.135 18393
156 1 1 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.922 0.473 18393
157 1 1 . 1 1 30 30 PHE C C 44 173.221 173.221 172.806 0.415 18393
158 1 1 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.115 0.308 18393
159 1 1 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.593 1.323 18393
160 1 1 . 1 1 30 30 PHE H H 44 10.048 10.048 8.822 1.226 18393
161 1 1 . 1 1 31 31 GLY N N 45 105.921 105.921 109.575 -3.654 18393
162 1 1 . 1 1 31 31 GLY C C 45 172.774 172.774 171.925 0.849 18393
163 1 1 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.359 0.179 18393
164 1 1 . 1 1 31 31 GLY H H 45 9.290 9.290 7.929 1.361 18393
165 1 1 . 1 1 32 32 VAL N N 46 121.311 121.311 121.536 -0.225 18393
166 1 1 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.624 0.726 18393
167 1 1 . 1 1 32 32 VAL C C 46 171.140 171.140 174.897 -3.757 18393
168 1 1 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.261 -0.429 18393
169 1 1 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.133 2.253 18393
170 1 1 . 1 1 32 32 VAL H H 46 8.906 8.906 8.025 0.881 18393
171 1 1 . 1 1 33 33 ARG N N 47 122.102 122.102 120.261 1.841 18393
172 1 1 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.100 -0.529 18393
173 1 1 . 1 1 33 33 ARG C C 47 173.683 173.683 174.320 -0.637 18393
174 1 1 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.617 0.341 18393
175 1 1 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.783 1.933 18393
176 1 1 . 1 1 33 33 ARG H H 47 8.008 8.008 7.837 0.171 18393
177 1 1 . 1 1 34 34 VAL N N 48 117.391 117.391 119.896 -2.505 18393
178 1 1 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.529 0.258 18393
179 1 1 . 1 1 34 34 VAL C C 48 172.777 172.777 173.326 -0.549 18393
180 1 1 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.418 -0.448 18393
181 1 1 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.191 0.121 18393
182 1 1 . 1 1 34 34 VAL H H 48 8.103 8.103 9.023 -0.920 18393
183 1 1 . 1 1 35 35 ASN N N 49 127.065 127.065 121.089 5.976 18393
184 1 1 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.341 -0.805 18393
185 1 1 . 1 1 35 35 ASN C C 49 174.221 174.221 174.171 0.050 18393
186 1 1 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.110 -0.503 18393
187 1 1 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.561 -2.819 18393
188 1 1 . 1 1 35 35 ASN H H 49 8.543 8.543 8.648 -0.105 18393
189 1 1 . 1 1 36 36 THR N N 50 114.402 114.402 116.107 -1.705 18393
190 1 1 . 1 1 36 36 THR HA H 50 2.159 2.159 2.975 -0.816 18393
191 1 1 . 1 1 36 36 THR C C 50 175.168 175.168 175.525 -0.357 18393
192 1 1 . 1 1 36 36 THR CA C 50 61.126 61.126 61.486 -0.360 18393
193 1 1 . 1 1 36 36 THR CB C 50 69.987 69.987 68.584 1.403 18393
194 1 1 . 1 1 36 36 THR H H 50 6.801 6.801 7.762 -0.961 18393
195 1 1 . 1 1 37 37 SER N N 51 114.587 114.587 120.622 -6.035 18393
196 1 1 . 1 1 37 37 SER HA H 51 4.105 4.105 3.991 0.114 18393
197 1 1 . 1 1 37 37 SER C C 51 174.760 174.760 175.161 -0.401 18393
198 1 1 . 1 1 37 37 SER CA C 51 59.958 59.958 61.565 -1.607 18393
199 1 1 . 1 1 37 37 SER CB C 51 63.115 63.115 63.216 -0.101 18393
200 1 1 . 1 1 37 37 SER H H 51 6.797 6.797 8.464 -1.667 18393
201 1 1 . 1 1 38 38 ASP N N 52 117.329 117.329 117.976 -0.647 18393
202 1 1 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.510 0.079 18393
203 1 1 . 1 1 38 38 ASP C C 52 177.236 177.236 176.980 0.256 18393
204 1 1 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.801 -0.251 18393
205 1 1 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.957 -0.351 18393
206 1 1 . 1 1 38 38 ASP H H 52 8.784 8.784 8.223 0.561 18393
207 1 1 . 1 1 39 39 ARG N N 53 118.330 118.330 119.402 -1.072 18393
208 1 1 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.598 -0.102 18393
209 1 1 . 1 1 39 39 ARG C C 53 176.062 176.062 175.750 0.312 18393
210 1 1 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.934 -0.884 18393
211 1 1 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.589 -2.148 18393
212 1 1 . 1 1 39 39 ARG H H 53 7.666 7.666 8.181 -0.515 18393
213 1 1 . 1 1 40 40 GLY N N 54 110.510 110.510 106.903 3.607 18393
214 1 1 . 1 1 40 40 GLY C C 54 177.680 177.680 172.736 4.944 18393
215 1 1 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.367 0.309 18393
216 1 1 . 1 1 40 40 GLY H H 54 7.248 7.248 7.994 -0.746 18393
217 1 1 . 1 1 41 41 TRP N N 55 123.328 123.328 123.230 0.098 18393
218 1 1 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.846 0.073 18393
219 1 1 . 1 1 41 41 TRP C C 55 178.873 178.873 177.648 1.225 18393
220 1 1 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.482 0.635 18393
221 1 1 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.405 0.369 18393
222 1 1 . 1 1 41 41 TRP H H 55 8.289 8.289 8.260 0.029 18393
223 1 1 . 1 1 42 42 THR N N 56 114.627 114.627 119.101 -4.474 18393
224 1 1 . 1 1 42 42 THR HA H 56 4.329 4.329 4.308 0.021 18393
225 1 1 . 1 1 42 42 THR C C 56 175.261 175.261 174.757 0.504 18393
226 1 1 . 1 1 42 42 THR CA C 56 61.698 61.698 61.477 0.221 18393
227 1 1 . 1 1 42 42 THR CB C 56 72.359 72.359 69.677 2.682 18393
228 1 1 . 1 1 42 42 THR H H 56 8.972 8.972 8.634 0.338 18393
229 1 1 . 1 1 43 43 ASP N N 57 120.151 120.151 121.359 -1.208 18393
230 1 1 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.448 -0.003 18393
231 1 1 . 1 1 43 43 ASP C C 57 175.710 175.710 176.533 -0.823 18393
232 1 1 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.209 0.168 18393
233 1 1 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.180 -0.308 18393
234 1 1 . 1 1 43 43 ASP H H 57 8.379 8.379 8.380 -0.001 18393
235 1 1 . 1 1 44 44 GLU N N 58 122.449 122.449 123.634 -1.185 18393
236 1 1 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.573 -0.108 18393
237 1 1 . 1 1 44 44 GLU C C 58 176.412 176.412 176.797 -0.385 18393
238 1 1 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.838 -1.367 18393
239 1 1 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.966 1.092 18393
240 1 1 . 1 1 44 44 GLU H H 58 8.581 8.581 8.581 0.000 18393
241 1 1 . 1 1 45 45 CYS N N 59 126.725 126.725 128.000 -1.275 18393
242 1 1 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.497 0.198 18393
243 1 1 . 1 1 45 45 CYS C C 59 173.364 173.364 174.106 -0.742 18393
244 1 1 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.819 1.101 18393
245 1 1 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.187 3.497 18393
246 1 1 . 1 1 45 45 CYS H H 59 8.671 8.671 8.969 -0.298 18393
247 1 1 . 1 1 46 46 ILE N N 60 126.614 126.614 126.854 -0.240 18393
248 1 1 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.339 0.354 18393
249 1 1 . 1 1 46 46 ILE C C 60 176.175 176.175 177.075 -0.900 18393
250 1 1 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.055 -0.279 18393
251 1 1 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.198 0.148 18393
252 1 1 . 1 1 46 46 ILE H H 60 8.735 8.735 7.949 0.786 18393
253 1 1 . 1 1 47 47 GLY N N 61 112.366 112.366 115.924 -3.558 18393
254 1 1 . 1 1 47 47 GLY C C 61 171.844 171.844 173.415 -1.571 18393
255 1 1 . 1 1 47 47 GLY CA C 61 44.283 44.283 43.544 0.739 18393
256 1 1 . 1 1 47 47 GLY H H 61 8.610 8.610 8.775 -0.165 18393
257 1 1 . 1 1 48 48 GLU N N 62 115.030 115.030 119.580 -4.550 18393
258 1 1 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.599 -0.054 18393
259 1 1 . 1 1 48 48 GLU C C 62 174.927 174.927 174.670 0.257 18393
260 1 1 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.349 0.533 18393
261 1 1 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.962 0.387 18393
262 1 1 . 1 1 48 48 GLU H H 62 8.214 8.214 8.451 -0.237 18393
263 1 1 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.372 0.492 18393
264 1 1 . 1 1 49 49 PRO C C 63 178.286 178.286 175.947 2.339 18393
265 1 1 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.496 -1.236 18393
266 1 1 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.445 -0.178 18393
267 1 1 . 1 1 50 50 MET N N 64 123.505 123.505 124.446 -0.941 18393
268 1 1 . 1 1 50 50 MET HA H 64 5.530 5.530 4.910 0.620 18393
269 1 1 . 1 1 50 50 MET C C 64 176.337 176.337 175.247 1.090 18393
270 1 1 . 1 1 50 50 MET CA C 64 51.674 51.674 51.541 0.133 18393
271 1 1 . 1 1 50 50 MET CB C 64 37.597 37.597 33.538 4.059 18393
272 1 1 . 1 1 50 50 MET H H 64 9.267 9.267 8.897 0.370 18393
273 1 1 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.316 0.770 18393
274 1 1 . 1 1 51 51 PRO C C 65 174.862 174.862 175.414 -0.552 18393
275 1 1 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.103 0.563 18393
276 1 1 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.816 0.711 18393
277 1 1 . 1 1 52 52 SER N N 66 109.598 109.598 113.187 -3.589 18393
278 1 1 . 1 1 52 52 SER HA H 66 4.813 4.813 5.027 -0.214 18393
279 1 1 . 1 1 52 52 SER C C 66 173.368 173.368 174.573 -1.205 18393
280 1 1 . 1 1 52 52 SER CA C 66 55.463 55.463 56.893 -1.430 18393
281 1 1 . 1 1 52 52 SER CB C 66 66.775 66.775 66.839 -0.064 18393
282 1 1 . 1 1 52 52 SER H H 66 7.165 7.165 7.415 -0.250 18393
283 1 1 . 1 1 53 53 VAL N N 67 124.347 124.347 121.607 2.740 18393
284 1 1 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.913 -1.083 18393
285 1 1 . 1 1 53 53 VAL C C 67 177.116 177.116 176.922 0.194 18393
286 1 1 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.309 1.520 18393
287 1 1 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.554 -0.230 18393
288 1 1 . 1 1 53 53 VAL H H 67 8.522 8.522 8.870 -0.348 18393
289 1 1 . 1 1 54 54 LYS N N 68 118.639 118.639 119.859 -1.220 18393
290 1 1 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.127 -0.658 18393
291 1 1 . 1 1 54 54 LYS C C 68 178.286 178.286 178.865 -0.579 18393
292 1 1 . 1 1 54 54 LYS CA C 68 60.350 60.350 58.959 1.391 18393
293 1 1 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.570 0.794 18393
294 1 1 . 1 1 54 54 LYS H H 68 8.098 8.098 8.649 -0.551 18393
295 1 1 . 1 1 55 55 LYS N N 69 115.388 115.388 119.635 -4.247 18393
296 1 1 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.165 -0.071 18393
297 1 1 . 1 1 55 55 LYS C C 69 179.694 179.694 178.905 0.789 18393
298 1 1 . 1 1 55 55 LYS CA C 69 58.828 58.828 59.106 -0.278 18393
299 1 1 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.208 0.631 18393
300 1 1 . 1 1 55 55 LYS H H 69 7.499 7.499 7.494 0.005 18393
301 1 1 . 1 1 56 56 ALA N N 70 124.226 124.226 124.238 -0.012 18393
302 1 1 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.185 -0.036 18393
303 1 1 . 1 1 56 56 ALA C C 70 181.217 181.217 179.436 1.781 18393
304 1 1 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.391 0.325 18393
305 1 1 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.518 1.992 18393
306 1 1 . 1 1 56 56 ALA H H 70 8.296 8.296 8.110 0.186 18393
307 1 1 . 1 1 57 57 LYS N N 71 120.522 120.522 118.244 2.278 18393
308 1 1 . 1 1 57 57 LYS HA H 71 3.643 3.643 3.763 -0.119 18393
309 1 1 . 1 1 57 57 LYS C C 71 177.937 177.937 178.939 -1.002 18393
310 1 1 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.177 0.910 18393
311 1 1 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.009 0.119 18393
312 1 1 . 1 1 57 57 LYS H H 71 8.385 8.385 7.488 0.897 18393
313 1 1 . 1 1 58 58 ASP N N 72 119.428 119.428 118.709 0.719 18393
314 1 1 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.495 -0.189 18393
315 1 1 . 1 1 58 58 ASP C C 72 177.042 177.042 178.805 -1.763 18393
316 1 1 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.258 0.882 18393
317 1 1 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.811 -0.686 18393
318 1 1 . 1 1 58 58 ASP H H 72 8.029 8.029 7.874 0.155 18393
319 1 1 . 1 1 59 59 SER N N 73 111.435 111.435 115.807 -4.372 18393
320 1 1 . 1 1 59 59 SER HA H 73 4.243 4.243 4.270 -0.027 18393
321 1 1 . 1 1 59 59 SER C C 73 177.000 177.000 176.620 0.380 18393
322 1 1 . 1 1 59 59 SER CA C 73 63.579 63.579 61.901 1.678 18393
323 1 1 . 1 1 59 59 SER CB C 73 60.947 60.947 63.200 -2.253 18393
324 1 1 . 1 1 59 59 SER H H 73 7.785 7.785 8.112 -0.327 18393
325 1 1 . 1 1 60 60 ALA N N 74 120.363 120.363 124.128 -3.765 18393
326 1 1 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.071 -0.108 18393
327 1 1 . 1 1 60 60 ALA C C 74 178.170 178.170 179.132 -0.962 18393
328 1 1 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.757 0.741 18393
329 1 1 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.279 -0.368 18393
330 1 1 . 1 1 60 60 ALA H H 74 7.472 7.472 7.746 -0.274 18393
331 1 1 . 1 1 61 61 ALA N N 75 118.116 118.116 121.360 -3.244 18393
332 1 1 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.123 -0.175 18393
333 1 1 . 1 1 61 61 ALA C C 75 179.341 179.341 179.543 -0.202 18393
334 1 1 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.208 0.452 18393
335 1 1 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.432 0.510 18393
336 1 1 . 1 1 61 61 ALA H H 75 8.653 8.653 8.565 0.088 18393
337 1 1 . 1 1 62 62 VAL N N 76 115.858 115.858 117.333 -1.475 18393
338 1 1 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.797 -0.141 18393
339 1 1 . 1 1 62 62 VAL C C 76 178.051 178.051 177.886 0.165 18393
340 1 1 . 1 1 62 62 VAL CA C 76 66.651 66.651 65.962 0.689 18393
341 1 1 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.131 0.716 18393
342 1 1 . 1 1 62 62 VAL H H 76 8.124 8.124 7.762 0.362 18393
343 1 1 . 1 1 63 63 LEU N N 77 119.881 119.881 118.952 0.929 18393
344 1 1 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.090 0.099 18393
345 1 1 . 1 1 63 63 LEU C C 77 179.692 179.692 179.156 0.536 18393
346 1 1 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.186 0.398 18393
347 1 1 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.596 0.320 18393
348 1 1 . 1 1 63 63 LEU H H 77 7.038 7.038 7.424 -0.386 18393
349 1 1 . 1 1 64 64 LEU N N 78 122.083 122.083 121.601 0.482 18393
350 1 1 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.139 0.389 18393
351 1 1 . 1 1 64 64 LEU C C 78 178.601 178.601 178.463 0.138 18393
352 1 1 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.733 -0.276 18393
353 1 1 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.082 -0.828 18393
354 1 1 . 1 1 64 64 LEU H H 78 7.694 7.694 7.883 -0.189 18393
355 1 1 . 1 1 65 65 LEU N N 79 120.548 120.548 117.240 3.308 18393
356 1 1 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.984 -0.120 18393
357 1 1 . 1 1 65 65 LEU C C 79 178.861 178.861 179.126 -0.265 18393
358 1 1 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.776 0.701 18393
359 1 1 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.174 0.444 18393
360 1 1 . 1 1 65 65 LEU H H 79 8.671 8.671 8.207 0.464 18393
361 1 1 . 1 1 66 66 GLU N N 80 117.398 117.398 118.801 -1.403 18393
362 1 1 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.078 -0.019 18393
363 1 1 . 1 1 66 66 GLU C C 80 178.957 178.957 179.052 -0.095 18393
364 1 1 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.913 0.422 18393
365 1 1 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.402 -0.021 18393
366 1 1 . 1 1 66 66 GLU H H 80 7.613 7.613 7.445 0.168 18393
367 1 1 . 1 1 67 67 LEU N N 81 120.633 120.633 121.435 -0.802 18393
368 1 1 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.091 0.069 18393
369 1 1 . 1 1 67 67 LEU C C 81 180.162 180.162 179.320 0.842 18393
370 1 1 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.869 0.244 18393
371 1 1 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.285 -0.228 18393
372 1 1 . 1 1 67 67 LEU H H 81 7.656 7.656 7.462 0.194 18393
373 1 1 . 1 1 68 68 LEU N N 82 118.949 118.949 119.178 -0.229 18393
374 1 1 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.245 -0.082 18393
375 1 1 . 1 1 68 68 LEU C C 82 178.289 178.289 178.734 -0.445 18393
376 1 1 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.150 0.705 18393
377 1 1 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.170 0.848 18393
378 1 1 . 1 1 68 68 LEU H H 82 8.583 8.583 8.691 -0.108 18393
379 1 1 . 1 1 69 69 ASN N N 83 116.570 116.570 117.668 -1.098 18393
380 1 1 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.713 0.016 18393
381 1 1 . 1 1 69 69 ASN C C 83 174.784 174.784 175.247 -0.463 18393
382 1 1 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.825 -0.086 18393
383 1 1 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.731 0.417 18393
384 1 1 . 1 1 69 69 ASN H H 83 7.920 7.920 7.934 -0.014 18393
385 1 1 . 1 1 70 70 LYS N N 84 120.363 120.363 120.464 -0.101 18393
386 1 1 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.587 -0.183 18393
387 1 1 . 1 1 70 70 LYS C C 84 175.910 175.910 175.206 0.704 18393
388 1 1 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.329 1.507 18393
389 1 1 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.454 0.545 18393
390 1 1 . 1 1 70 70 LYS H H 84 7.593 7.593 7.580 0.013 18393
391 1 2 . 1 1 2 2 ASP N N 16 119.381 119.381 121.789 -2.408 18393
392 1 2 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.436 -0.096 18393
393 1 2 . 1 1 2 2 ASP C C 16 178.935 178.935 177.741 1.194 18393
394 1 2 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.444 0.264 18393
395 1 2 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.772 -0.091 18393
396 1 2 . 1 1 2 2 ASP H H 16 8.320 8.320 8.736 -0.416 18393
397 1 2 . 1 1 3 3 ILE N N 17 121.475 121.475 120.798 0.677 18393
398 1 2 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.828 -0.282 18393
399 1 2 . 1 1 3 3 ILE C C 17 177.116 177.116 178.115 -0.999 18393
400 1 2 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.268 0.965 18393
401 1 2 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.476 0.225 18393
402 1 2 . 1 1 3 3 ILE H H 17 7.793 7.793 7.975 -0.182 18393
403 1 2 . 1 1 4 4 CYS N N 18 117.506 117.506 118.383 -0.877 18393
404 1 2 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.399 -0.457 18393
405 1 2 . 1 1 4 4 CYS C C 18 176.671 176.671 177.156 -0.485 18393
406 1 2 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.850 1.774 18393
407 1 2 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.796 -0.831 18393
408 1 2 . 1 1 4 4 CYS H H 18 7.823 7.823 8.092 -0.269 18393
409 1 2 . 1 1 5 5 LEU N N 19 118.832 118.832 122.687 -3.855 18393
410 1 2 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.153 -0.057 18393
411 1 2 . 1 1 5 5 LEU C C 19 180.698 180.698 179.359 1.339 18393
412 1 2 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.952 -0.015 18393
413 1 2 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.928 0.138 18393
414 1 2 . 1 1 5 5 LEU H H 19 8.101 8.101 8.605 -0.504 18393
415 1 2 . 1 1 6 6 ARG N N 20 119.443 119.443 119.886 -0.443 18393
416 1 2 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.986 -0.052 18393
417 1 2 . 1 1 6 6 ARG C C 20 178.169 178.169 177.747 0.422 18393
418 1 2 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.664 0.211 18393
419 1 2 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.174 -0.194 18393
420 1 2 . 1 1 6 6 ARG H H 20 7.934 7.934 8.445 -0.511 18393
421 1 2 . 1 1 7 7 LYS N N 21 116.636 116.636 116.395 0.241 18393
422 1 2 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.889 -0.116 18393
423 1 2 . 1 1 7 7 LYS C C 21 175.224 175.224 175.594 -0.370 18393
424 1 2 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.074 0.004 18393
425 1 2 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.596 -0.079 18393
426 1 2 . 1 1 7 7 LYS H H 21 7.553 7.553 7.301 0.252 18393
427 1 2 . 1 1 8 8 ASN N N 22 114.898 114.898 114.315 0.583 18393
428 1 2 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.399 -0.097 18393
429 1 2 . 1 1 8 8 ASN C C 22 174.073 174.073 174.616 -0.543 18393
430 1 2 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.045 0.388 18393
431 1 2 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.728 -0.711 18393
432 1 2 . 1 1 8 8 ASN H H 22 7.640 7.640 7.765 -0.125 18393
433 1 2 . 1 1 9 9 TRP N N 23 120.563 120.563 119.880 0.683 18393
434 1 2 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.129 0.112 18393
435 1 2 . 1 1 9 9 TRP C C 23 173.601 173.601 175.109 -1.508 18393
436 1 2 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.273 -2.453 18393
437 1 2 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.261 1.313 18393
438 1 2 . 1 1 9 9 TRP H H 23 8.692 8.692 7.779 0.913 18393
439 1 2 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.523 -0.064 18393
440 1 2 . 1 1 10 10 PRO C C 24 175.391 175.391 176.735 -1.344 18393
441 1 2 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.338 -0.240 18393
442 1 2 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.665 -1.083 18393
443 1 2 . 1 1 11 11 MET N N 25 116.562 116.562 117.555 -0.993 18393
444 1 2 . 1 1 11 11 MET HA H 25 4.751 4.751 4.777 -0.026 18393
445 1 2 . 1 1 11 11 MET C C 25 175.240 175.240 174.782 0.458 18393
446 1 2 . 1 1 11 11 MET CA C 25 53.800 53.800 53.244 0.556 18393
447 1 2 . 1 1 11 11 MET CB C 25 30.695 30.695 30.873 -0.178 18393
448 1 2 . 1 1 11 11 MET H H 25 8.201 8.201 8.504 -0.303 18393
449 1 2 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.883 -0.559 18393
450 1 2 . 1 1 12 12 PRO C C 26 174.890 174.890 176.134 -1.244 18393
451 1 2 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.795 0.685 18393
452 1 2 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.753 -0.028 18393
453 1 2 . 1 1 13 13 SER N N 27 116.608 116.608 116.116 0.492 18393
454 1 2 . 1 1 13 13 SER HA H 27 4.781 4.781 4.785 -0.004 18393
455 1 2 . 1 1 13 13 SER C C 27 173.365 173.365 173.353 0.012 18393
456 1 2 . 1 1 13 13 SER CA C 27 57.219 57.219 57.907 -0.688 18393
457 1 2 . 1 1 13 13 SER CB C 27 64.227 64.227 64.314 -0.087 18393
458 1 2 . 1 1 13 13 SER H H 27 8.555 8.555 8.568 -0.012 18393
459 1 2 . 1 1 14 14 TYR N N 28 125.256 125.256 123.518 1.738 18393
460 1 2 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.076 0.545 18393
461 1 2 . 1 1 14 14 TYR C C 28 176.175 176.175 174.893 1.282 18393
462 1 2 . 1 1 14 14 TYR CA C 28 57.563 57.563 58.024 -0.461 18393
463 1 2 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.816 1.045 18393
464 1 2 . 1 1 14 14 TYR H H 28 8.939 8.939 8.620 0.319 18393
465 1 2 . 1 1 15 15 ARG N N 29 120.540 120.540 126.425 -5.885 18393
466 1 2 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.605 -0.063 18393
467 1 2 . 1 1 15 15 ARG C C 29 173.134 173.134 174.852 -1.718 18393
468 1 2 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.763 -0.943 18393
469 1 2 . 1 1 15 15 ARG CB C 29 34.721 34.721 32.895 1.826 18393
470 1 2 . 1 1 15 15 ARG H H 29 9.159 9.159 9.488 -0.329 18393
471 1 2 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.675 -1.778 18393
472 1 2 . 1 1 16 16 CYS C C 30 174.180 174.180 175.792 -1.612 18393
473 1 2 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.645 -1.926 18393
474 1 2 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.515 -2.409 18393
475 1 2 . 1 1 17 17 VAL N N 31 132.259 132.259 121.736 10.523 18393
476 1 2 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.135 -0.484 18393
477 1 2 . 1 1 17 17 VAL C C 31 175.711 175.711 175.450 0.261 18393
478 1 2 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.244 0.842 18393
479 1 2 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.357 0.155 18393
480 1 2 . 1 1 17 17 VAL H H 31 8.659 8.659 8.598 0.061 18393
481 1 2 . 1 1 18 18 LYS N N 32 118.630 118.630 121.598 -2.968 18393
482 1 2 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.552 -0.192 18393
483 1 2 . 1 1 18 18 LYS C C 32 173.015 173.015 174.423 -1.408 18393
484 1 2 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.916 0.486 18393
485 1 2 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.026 0.978 18393
486 1 2 . 1 1 18 18 LYS H H 32 7.673 7.673 8.175 -0.502 18393
487 1 2 . 1 1 19 19 GLU N N 33 125.800 125.800 126.629 -0.829 18393
488 1 2 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.742 0.111 18393
489 1 2 . 1 1 19 19 GLU C C 33 175.060 175.060 175.760 -0.700 18393
490 1 2 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.961 -1.397 18393
491 1 2 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.826 -0.689 18393
492 1 2 . 1 1 19 19 GLU H H 33 8.431 8.431 8.615 -0.184 18393
493 1 2 . 1 1 20 20 GLY N N 34 111.079 111.079 112.931 -1.852 18393
494 1 2 . 1 1 20 20 GLY C C 34 172.318 172.318 172.859 -0.541 18393
495 1 2 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.133 -0.492 18393
496 1 2 . 1 1 20 20 GLY H H 34 8.345 8.345 8.676 -0.331 18393
497 1 2 . 1 1 21 21 GLY N N 35 107.395 107.395 107.399 -0.004 18393
498 1 2 . 1 1 21 21 GLY C C 35 171.757 171.757 172.655 -0.898 18393
499 1 2 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.877 -1.139 18393
500 1 2 . 1 1 21 21 GLY H H 35 8.184 8.184 7.898 0.286 18393
501 1 2 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.359 0.117 18393
502 1 2 . 1 1 22 22 PRO C C 36 177.171 177.171 176.343 0.828 18393
503 1 2 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.181 -1.918 18393
504 1 2 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.227 0.034 18393
505 1 2 . 1 1 23 23 ALA N N 37 120.595 120.595 115.458 5.137 18393
506 1 2 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.294 -0.471 18393
507 1 2 . 1 1 23 23 ALA C C 37 178.547 178.547 177.962 0.585 18393
508 1 2 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.247 3.246 18393
509 1 2 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.829 -0.278 18393
510 1 2 . 1 1 23 23 ALA H H 37 8.580 8.580 7.631 0.949 18393
511 1 2 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.495 0.120 18393
512 1 2 . 1 1 24 24 HIS C C 38 174.890 174.890 174.711 0.179 18393
513 1 2 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.069 -1.208 18393
514 1 2 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.458 0.902 18393
515 1 2 . 1 1 25 25 ALA N N 39 128.271 128.271 122.081 6.190 18393
516 1 2 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.427 0.047 18393
517 1 2 . 1 1 25 25 ALA C C 39 174.351 174.351 176.628 -2.277 18393
518 1 2 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.321 -0.005 18393
519 1 2 . 1 1 25 25 ALA CB C 39 18.111 18.111 18.931 -0.820 18393
520 1 2 . 1 1 25 25 ALA H H 39 7.697 7.697 7.605 0.092 18393
521 1 2 . 1 1 26 26 LYS N N 40 121.927 121.927 119.094 2.833 18393
522 1 2 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.332 -0.214 18393
523 1 2 . 1 1 26 26 LYS C C 40 177.551 177.551 175.317 2.234 18393
524 1 2 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.053 2.091 18393
525 1 2 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.225 0.847 18393
526 1 2 . 1 1 26 26 LYS H H 40 7.990 7.990 7.472 0.518 18393
527 1 2 . 1 1 27 27 ARG N N 41 119.572 119.572 118.560 1.012 18393
528 1 2 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.142 0.496 18393
529 1 2 . 1 1 27 27 ARG C C 41 174.770 174.770 176.062 -1.292 18393
530 1 2 . 1 1 27 27 ARG CA C 41 53.478 53.478 54.291 -0.813 18393
531 1 2 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.064 3.326 18393
532 1 2 . 1 1 27 27 ARG H H 41 8.296 8.296 7.489 0.807 18393
533 1 2 . 1 1 28 28 PHE N N 42 120.381 120.381 123.400 -3.019 18393
534 1 2 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.015 0.032 18393
535 1 2 . 1 1 28 28 PHE C C 42 174.407 174.407 175.891 -1.484 18393
536 1 2 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.921 1.105 18393
537 1 2 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.952 2.177 18393
538 1 2 . 1 1 28 28 PHE H H 42 9.339 9.339 8.888 0.451 18393
539 1 2 . 1 1 29 29 THR N N 43 117.999 117.999 119.069 -1.070 18393
540 1 2 . 1 1 29 29 THR HA H 43 4.704 4.704 4.808 -0.104 18393
541 1 2 . 1 1 29 29 THR C C 43 173.713 173.713 172.675 1.038 18393
542 1 2 . 1 1 29 29 THR CA C 43 62.117 62.117 61.573 0.544 18393
543 1 2 . 1 1 29 29 THR CB C 43 70.104 70.104 70.852 -0.748 18393
544 1 2 . 1 1 29 29 THR H H 43 8.949 8.949 8.929 0.020 18393
545 1 2 . 1 1 30 30 PHE N N 44 129.592 129.592 126.232 3.360 18393
546 1 2 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.933 0.462 18393
547 1 2 . 1 1 30 30 PHE C C 44 173.221 173.221 172.696 0.525 18393
548 1 2 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.327 0.096 18393
549 1 2 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.423 1.494 18393
550 1 2 . 1 1 30 30 PHE H H 44 10.048 10.048 8.799 1.249 18393
551 1 2 . 1 1 31 31 GLY N N 45 105.921 105.921 109.255 -3.334 18393
552 1 2 . 1 1 31 31 GLY C C 45 172.774 172.774 171.698 1.076 18393
553 1 2 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.356 0.182 18393
554 1 2 . 1 1 31 31 GLY H H 45 9.290 9.290 7.782 1.508 18393
555 1 2 . 1 1 32 32 VAL N N 46 121.311 121.311 121.186 0.125 18393
556 1 2 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.681 0.669 18393
557 1 2 . 1 1 32 32 VAL C C 46 171.140 171.140 174.980 -3.840 18393
558 1 2 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.648 -0.816 18393
559 1 2 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.251 2.136 18393
560 1 2 . 1 1 32 32 VAL H H 46 8.906 8.906 7.540 1.366 18393
561 1 2 . 1 1 33 33 ARG N N 47 122.102 122.102 120.715 1.387 18393
562 1 2 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.283 -0.712 18393
563 1 2 . 1 1 33 33 ARG C C 47 173.683 173.683 174.701 -1.018 18393
564 1 2 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.280 0.678 18393
565 1 2 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.072 1.644 18393
566 1 2 . 1 1 33 33 ARG H H 47 8.008 8.008 7.934 0.074 18393
567 1 2 . 1 1 34 34 VAL N N 48 117.391 117.391 119.838 -2.447 18393
568 1 2 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.394 0.393 18393
569 1 2 . 1 1 34 34 VAL C C 48 172.777 172.777 173.376 -0.599 18393
570 1 2 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.404 -0.434 18393
571 1 2 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.051 0.261 18393
572 1 2 . 1 1 34 34 VAL H H 48 8.103 8.103 9.131 -1.028 18393
573 1 2 . 1 1 35 35 ASN N N 49 127.065 127.065 122.270 4.795 18393
574 1 2 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.112 -0.576 18393
575 1 2 . 1 1 35 35 ASN C C 49 174.221 174.221 174.121 0.100 18393
576 1 2 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.707 -1.100 18393
577 1 2 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.784 -3.042 18393
578 1 2 . 1 1 35 35 ASN H H 49 8.543 8.543 8.480 0.063 18393
579 1 2 . 1 1 36 36 THR N N 50 114.402 114.402 115.088 -0.686 18393
580 1 2 . 1 1 36 36 THR HA H 50 2.159 2.159 3.040 -0.881 18393
581 1 2 . 1 1 36 36 THR C C 50 175.168 175.168 175.737 -0.569 18393
582 1 2 . 1 1 36 36 THR CA C 50 61.126 61.126 61.362 -0.236 18393
583 1 2 . 1 1 36 36 THR CB C 50 69.987 69.987 68.733 1.254 18393
584 1 2 . 1 1 36 36 THR H H 50 6.801 6.801 7.726 -0.925 18393
585 1 2 . 1 1 37 37 SER N N 51 114.587 114.587 120.427 -5.840 18393
586 1 2 . 1 1 37 37 SER HA H 51 4.105 4.105 4.032 0.073 18393
587 1 2 . 1 1 37 37 SER C C 51 174.760 174.760 174.961 -0.201 18393
588 1 2 . 1 1 37 37 SER CA C 51 59.958 59.958 60.996 -1.038 18393
589 1 2 . 1 1 37 37 SER CB C 51 63.115 63.115 63.239 -0.124 18393
590 1 2 . 1 1 37 37 SER H H 51 6.797 6.797 8.404 -1.607 18393
591 1 2 . 1 1 38 38 ASP N N 52 117.329 117.329 118.814 -1.485 18393
592 1 2 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.616 -0.027 18393
593 1 2 . 1 1 38 38 ASP C C 52 177.236 177.236 176.596 0.640 18393
594 1 2 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.580 -0.030 18393
595 1 2 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.877 -0.271 18393
596 1 2 . 1 1 38 38 ASP H H 52 8.784 8.784 8.107 0.677 18393
597 1 2 . 1 1 39 39 ARG N N 53 118.330 118.330 118.762 -0.432 18393
598 1 2 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.480 0.016 18393
599 1 2 . 1 1 39 39 ARG C C 53 176.062 176.062 176.199 -0.137 18393
600 1 2 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.049 -0.999 18393
601 1 2 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.561 -2.120 18393
602 1 2 . 1 1 39 39 ARG H H 53 7.666 7.666 8.037 -0.371 18393
603 1 2 . 1 1 40 40 GLY N N 54 110.510 110.510 107.311 3.199 18393
604 1 2 . 1 1 40 40 GLY C C 54 177.680 177.680 172.458 5.222 18393
605 1 2 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.165 0.512 18393
606 1 2 . 1 1 40 40 GLY H H 54 7.248 7.248 7.893 -0.645 18393
607 1 2 . 1 1 41 41 TRP N N 55 123.328 123.328 122.893 0.435 18393
608 1 2 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.806 0.113 18393
609 1 2 . 1 1 41 41 TRP C C 55 178.873 178.873 177.355 1.518 18393
610 1 2 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.668 0.449 18393
611 1 2 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.462 0.312 18393
612 1 2 . 1 1 41 41 TRP H H 55 8.289 8.289 8.272 0.017 18393
613 1 2 . 1 1 42 42 THR N N 56 114.627 114.627 116.713 -2.086 18393
614 1 2 . 1 1 42 42 THR HA H 56 4.329 4.329 4.419 -0.090 18393
615 1 2 . 1 1 42 42 THR C C 56 175.261 175.261 174.807 0.454 18393
616 1 2 . 1 1 42 42 THR CA C 56 61.698 61.698 61.240 0.458 18393
617 1 2 . 1 1 42 42 THR CB C 56 72.359 72.359 70.107 2.252 18393
618 1 2 . 1 1 42 42 THR H H 56 8.972 8.972 8.453 0.519 18393
619 1 2 . 1 1 43 43 ASP N N 57 120.151 120.151 120.940 -0.789 18393
620 1 2 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.451 -0.006 18393
621 1 2 . 1 1 43 43 ASP C C 57 175.710 175.710 176.309 -0.599 18393
622 1 2 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.395 0.982 18393
623 1 2 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.194 -0.322 18393
624 1 2 . 1 1 43 43 ASP H H 57 8.379 8.379 8.399 -0.020 18393
625 1 2 . 1 1 44 44 GLU N N 58 122.449 122.449 121.806 0.643 18393
626 1 2 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.553 -0.088 18393
627 1 2 . 1 1 44 44 GLU C C 58 176.412 176.412 177.166 -0.754 18393
628 1 2 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.785 -2.314 18393
629 1 2 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.878 1.180 18393
630 1 2 . 1 1 44 44 GLU H H 58 8.581 8.581 8.508 0.073 18393
631 1 2 . 1 1 45 45 CYS N N 59 126.725 126.725 124.942 1.783 18393
632 1 2 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.443 0.252 18393
633 1 2 . 1 1 45 45 CYS C C 59 173.364 173.364 174.132 -0.768 18393
634 1 2 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.578 1.342 18393
635 1 2 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.796 3.888 18393
636 1 2 . 1 1 45 45 CYS H H 59 8.671 8.671 8.689 -0.018 18393
637 1 2 . 1 1 46 46 ILE N N 60 126.614 126.614 126.990 -0.376 18393
638 1 2 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.539 0.154 18393
639 1 2 . 1 1 46 46 ILE C C 60 176.175 176.175 176.796 -0.621 18393
640 1 2 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.037 0.739 18393
641 1 2 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.511 0.835 18393
642 1 2 . 1 1 46 46 ILE H H 60 8.735 8.735 8.067 0.668 18393
643 1 2 . 1 1 47 47 GLY N N 61 112.366 112.366 116.751 -4.385 18393
644 1 2 . 1 1 47 47 GLY C C 61 171.844 171.844 173.451 -1.607 18393
645 1 2 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.370 -0.087 18393
646 1 2 . 1 1 47 47 GLY H H 61 8.610 8.610 8.604 0.006 18393
647 1 2 . 1 1 48 48 GLU N N 62 115.030 115.030 120.406 -5.376 18393
648 1 2 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.651 -0.106 18393
649 1 2 . 1 1 48 48 GLU C C 62 174.927 174.927 174.896 0.031 18393
650 1 2 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.233 -0.350 18393
651 1 2 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.754 0.595 18393
652 1 2 . 1 1 48 48 GLU H H 62 8.214 8.214 8.055 0.159 18393
653 1 2 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.478 0.386 18393
654 1 2 . 1 1 49 49 PRO C C 63 178.286 178.286 176.233 2.053 18393
655 1 2 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.512 -1.252 18393
656 1 2 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.355 -0.088 18393
657 1 2 . 1 1 50 50 MET N N 64 123.505 123.505 123.904 -0.399 18393
658 1 2 . 1 1 50 50 MET HA H 64 5.530 5.530 4.944 0.586 18393
659 1 2 . 1 1 50 50 MET C C 64 176.337 176.337 174.600 1.737 18393
660 1 2 . 1 1 50 50 MET CA C 64 51.674 51.674 51.664 0.010 18393
661 1 2 . 1 1 50 50 MET CB C 64 37.597 37.597 34.393 3.204 18393
662 1 2 . 1 1 50 50 MET H H 64 9.267 9.267 8.781 0.486 18393
663 1 2 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.407 0.679 18393
664 1 2 . 1 1 51 51 PRO C C 65 174.862 174.862 175.342 -0.480 18393
665 1 2 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.003 0.663 18393
666 1 2 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.738 0.789 18393
667 1 2 . 1 1 52 52 SER N N 66 109.598 109.598 113.485 -3.887 18393
668 1 2 . 1 1 52 52 SER HA H 66 4.813 4.813 4.942 -0.129 18393
669 1 2 . 1 1 52 52 SER C C 66 173.368 173.368 174.463 -1.095 18393
670 1 2 . 1 1 52 52 SER CA C 66 55.463 55.463 56.975 -1.512 18393
671 1 2 . 1 1 52 52 SER CB C 66 66.775 66.775 66.796 -0.021 18393
672 1 2 . 1 1 52 52 SER H H 66 7.165 7.165 7.387 -0.222 18393
673 1 2 . 1 1 53 53 VAL N N 67 124.347 124.347 122.935 1.412 18393
674 1 2 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.893 -1.063 18393
675 1 2 . 1 1 53 53 VAL C C 67 177.116 177.116 176.997 0.119 18393
676 1 2 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.834 1.995 18393
677 1 2 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.629 -0.305 18393
678 1 2 . 1 1 53 53 VAL H H 67 8.522 8.522 8.768 -0.246 18393
679 1 2 . 1 1 54 54 LYS N N 68 118.639 118.639 120.157 -1.518 18393
680 1 2 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.083 -0.614 18393
681 1 2 . 1 1 54 54 LYS C C 68 178.286 178.286 178.493 -0.207 18393
682 1 2 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.586 0.764 18393
683 1 2 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.902 0.461 18393
684 1 2 . 1 1 54 54 LYS H H 68 8.098 8.098 8.460 -0.362 18393
685 1 2 . 1 1 55 55 LYS N N 69 115.388 115.388 118.474 -3.086 18393
686 1 2 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.325 -0.231 18393
687 1 2 . 1 1 55 55 LYS C C 69 179.694 179.694 178.254 1.440 18393
688 1 2 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.207 0.621 18393
689 1 2 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.092 0.747 18393
690 1 2 . 1 1 55 55 LYS H H 69 7.499 7.499 7.619 -0.120 18393
691 1 2 . 1 1 56 56 ALA N N 70 124.226 124.226 124.493 -0.267 18393
692 1 2 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.160 -0.011 18393
693 1 2 . 1 1 56 56 ALA C C 70 181.217 181.217 179.376 1.841 18393
694 1 2 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.403 0.313 18393
695 1 2 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.650 1.860 18393
696 1 2 . 1 1 56 56 ALA H H 70 8.296 8.296 8.043 0.253 18393
697 1 2 . 1 1 57 57 LYS N N 71 120.522 120.522 117.658 2.864 18393
698 1 2 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.222 -0.579 18393
699 1 2 . 1 1 57 57 LYS C C 71 177.937 177.937 178.640 -0.703 18393
700 1 2 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.528 1.559 18393
701 1 2 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.480 0.648 18393
702 1 2 . 1 1 57 57 LYS H H 71 8.385 8.385 7.525 0.860 18393
703 1 2 . 1 1 58 58 ASP N N 72 119.428 119.428 119.819 -0.391 18393
704 1 2 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.368 -0.062 18393
705 1 2 . 1 1 58 58 ASP C C 72 177.042 177.042 178.329 -1.287 18393
706 1 2 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.670 0.470 18393
707 1 2 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.680 -0.555 18393
708 1 2 . 1 1 58 58 ASP H H 72 8.029 8.029 7.832 0.197 18393
709 1 2 . 1 1 59 59 SER N N 73 111.435 111.435 115.441 -4.006 18393
710 1 2 . 1 1 59 59 SER HA H 73 4.243 4.243 4.191 0.052 18393
711 1 2 . 1 1 59 59 SER C C 73 177.000 177.000 176.491 0.509 18393
712 1 2 . 1 1 59 59 SER CA C 73 63.579 63.579 61.471 2.108 18393
713 1 2 . 1 1 59 59 SER CB C 73 60.947 60.947 63.071 -2.124 18393
714 1 2 . 1 1 59 59 SER H H 73 7.785 7.785 8.070 -0.285 18393
715 1 2 . 1 1 60 60 ALA N N 74 120.363 120.363 123.616 -3.253 18393
716 1 2 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.025 -0.062 18393
717 1 2 . 1 1 60 60 ALA C C 74 178.170 178.170 179.432 -1.262 18393
718 1 2 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.991 0.507 18393
719 1 2 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.440 -0.529 18393
720 1 2 . 1 1 60 60 ALA H H 74 7.472 7.472 7.829 -0.357 18393
721 1 2 . 1 1 61 61 ALA N N 75 118.116 118.116 121.768 -3.652 18393
722 1 2 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.114 -0.166 18393
723 1 2 . 1 1 61 61 ALA C C 75 179.341 179.341 179.313 0.028 18393
724 1 2 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.296 0.364 18393
725 1 2 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.424 0.518 18393
726 1 2 . 1 1 61 61 ALA H H 75 8.653 8.653 8.688 -0.035 18393
727 1 2 . 1 1 62 62 VAL N N 76 115.858 115.858 118.005 -2.147 18393
728 1 2 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.839 -0.183 18393
729 1 2 . 1 1 62 62 VAL C C 76 178.051 178.051 177.579 0.472 18393
730 1 2 . 1 1 62 62 VAL CA C 76 66.651 66.651 64.868 1.782 18393
731 1 2 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.531 0.316 18393
732 1 2 . 1 1 62 62 VAL H H 76 8.124 8.124 7.698 0.426 18393
733 1 2 . 1 1 63 63 LEU N N 77 119.881 119.881 118.184 1.697 18393
734 1 2 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.409 -0.220 18393
735 1 2 . 1 1 63 63 LEU C C 77 179.692 179.692 179.526 0.166 18393
736 1 2 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.949 0.635 18393
737 1 2 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.687 0.229 18393
738 1 2 . 1 1 63 63 LEU H H 77 7.038 7.038 7.178 -0.140 18393
739 1 2 . 1 1 64 64 LEU N N 78 122.083 122.083 121.922 0.161 18393
740 1 2 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.150 0.378 18393
741 1 2 . 1 1 64 64 LEU C C 78 178.601 178.601 178.549 0.052 18393
742 1 2 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.641 -0.183 18393
743 1 2 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.072 -0.818 18393
744 1 2 . 1 1 64 64 LEU H H 78 7.694 7.694 8.149 -0.455 18393
745 1 2 . 1 1 65 65 LEU N N 79 120.548 120.548 117.807 2.741 18393
746 1 2 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.091 -0.227 18393
747 1 2 . 1 1 65 65 LEU C C 79 178.861 178.861 177.902 0.959 18393
748 1 2 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.534 0.943 18393
749 1 2 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.206 0.412 18393
750 1 2 . 1 1 65 65 LEU H H 79 8.671 8.671 8.216 0.455 18393
751 1 2 . 1 1 66 66 GLU N N 80 117.398 117.398 116.534 0.864 18393
752 1 2 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.184 -0.125 18393
753 1 2 . 1 1 66 66 GLU C C 80 178.957 178.957 178.633 0.324 18393
754 1 2 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.232 1.104 18393
755 1 2 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.713 -0.332 18393
756 1 2 . 1 1 66 66 GLU H H 80 7.613 7.613 7.391 0.222 18393
757 1 2 . 1 1 67 67 LEU N N 81 120.633 120.633 120.679 -0.046 18393
758 1 2 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.069 0.091 18393
759 1 2 . 1 1 67 67 LEU C C 81 180.162 180.162 178.877 1.285 18393
760 1 2 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.673 0.440 18393
761 1 2 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.353 -0.296 18393
762 1 2 . 1 1 67 67 LEU H H 81 7.656 7.656 7.381 0.275 18393
763 1 2 . 1 1 68 68 LEU N N 82 118.949 118.949 117.058 1.891 18393
764 1 2 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.303 -0.140 18393
765 1 2 . 1 1 68 68 LEU C C 82 178.289 178.289 177.828 0.461 18393
766 1 2 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.289 1.566 18393
767 1 2 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.800 1.218 18393
768 1 2 . 1 1 68 68 LEU H H 82 8.583 8.583 8.293 0.290 18393
769 1 2 . 1 1 69 69 ASN N N 83 116.570 116.570 117.060 -0.490 18393
770 1 2 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.762 -0.033 18393
771 1 2 . 1 1 69 69 ASN C C 83 174.784 174.784 175.373 -0.589 18393
772 1 2 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.878 -0.139 18393
773 1 2 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.813 -0.666 18393
774 1 2 . 1 1 69 69 ASN H H 83 7.920 7.920 7.651 0.269 18393
775 1 2 . 1 1 70 70 LYS N N 84 120.363 120.363 119.916 0.447 18393
776 1 2 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.620 -0.216 18393
777 1 2 . 1 1 70 70 LYS C C 84 175.910 175.910 175.329 0.581 18393
778 1 2 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.520 1.316 18393
779 1 2 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.823 0.176 18393
780 1 2 . 1 1 70 70 LYS H H 84 7.593 7.593 7.615 -0.022 18393
781 1 3 . 1 1 2 2 ASP N N 16 119.381 119.381 120.936 -1.555 18393
782 1 3 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.442 -0.102 18393
783 1 3 . 1 1 2 2 ASP C C 16 178.935 178.935 178.291 0.644 18393
784 1 3 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.064 0.644 18393
785 1 3 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.262 0.419 18393
786 1 3 . 1 1 2 2 ASP H H 16 8.320 8.320 8.795 -0.475 18393
787 1 3 . 1 1 3 3 ILE N N 17 121.475 121.475 120.361 1.114 18393
788 1 3 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.795 -0.249 18393
789 1 3 . 1 1 3 3 ILE C C 17 177.116 177.116 177.938 -0.822 18393
790 1 3 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.205 1.028 18393
791 1 3 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.593 0.108 18393
792 1 3 . 1 1 3 3 ILE H H 17 7.793 7.793 8.412 -0.619 18393
793 1 3 . 1 1 4 4 CYS N N 18 117.506 117.506 117.656 -0.150 18393
794 1 3 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.312 -0.370 18393
795 1 3 . 1 1 4 4 CYS C C 18 176.671 176.671 176.937 -0.266 18393
796 1 3 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.994 1.630 18393
797 1 3 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.367 -1.402 18393
798 1 3 . 1 1 4 4 CYS H H 18 7.823 7.823 7.732 0.091 18393
799 1 3 . 1 1 5 5 LEU N N 19 118.832 118.832 122.468 -3.636 18393
800 1 3 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.145 -0.049 18393
801 1 3 . 1 1 5 5 LEU C C 19 180.698 180.698 179.340 1.358 18393
802 1 3 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.952 -0.015 18393
803 1 3 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.924 0.142 18393
804 1 3 . 1 1 5 5 LEU H H 19 8.101 8.101 8.660 -0.559 18393
805 1 3 . 1 1 6 6 ARG N N 20 119.443 119.443 120.150 -0.707 18393
806 1 3 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.943 -0.009 18393
807 1 3 . 1 1 6 6 ARG C C 20 178.169 178.169 177.829 0.340 18393
808 1 3 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.785 0.090 18393
809 1 3 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.079 -0.099 18393
810 1 3 . 1 1 6 6 ARG H H 20 7.934 7.934 8.051 -0.117 18393
811 1 3 . 1 1 7 7 LYS N N 21 116.636 116.636 116.031 0.605 18393
812 1 3 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.856 -0.083 18393
813 1 3 . 1 1 7 7 LYS C C 21 175.224 175.224 175.504 -0.280 18393
814 1 3 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.143 -0.065 18393
815 1 3 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.707 -0.190 18393
816 1 3 . 1 1 7 7 LYS H H 21 7.553 7.553 7.400 0.153 18393
817 1 3 . 1 1 8 8 ASN N N 22 114.898 114.898 114.627 0.271 18393
818 1 3 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.421 -0.119 18393
819 1 3 . 1 1 8 8 ASN C C 22 174.073 174.073 174.666 -0.593 18393
820 1 3 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.296 0.137 18393
821 1 3 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.658 -0.641 18393
822 1 3 . 1 1 8 8 ASN H H 22 7.640 7.640 7.587 0.053 18393
823 1 3 . 1 1 9 9 TRP N N 23 120.563 120.563 119.209 1.354 18393
824 1 3 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.103 0.138 18393
825 1 3 . 1 1 9 9 TRP C C 23 173.601 173.601 174.899 -1.298 18393
826 1 3 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.191 -2.371 18393
827 1 3 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.850 0.724 18393
828 1 3 . 1 1 9 9 TRP H H 23 8.692 8.692 7.803 0.889 18393
829 1 3 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.509 -0.050 18393
830 1 3 . 1 1 10 10 PRO C C 24 175.391 175.391 176.479 -1.088 18393
831 1 3 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.381 -0.283 18393
832 1 3 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.403 -0.821 18393
833 1 3 . 1 1 11 11 MET N N 25 116.562 116.562 118.613 -2.051 18393
834 1 3 . 1 1 11 11 MET HA H 25 4.751 4.751 4.710 0.041 18393
835 1 3 . 1 1 11 11 MET C C 25 175.240 175.240 175.169 0.071 18393
836 1 3 . 1 1 11 11 MET CA C 25 53.800 53.800 52.065 1.736 18393
837 1 3 . 1 1 11 11 MET CB C 25 30.695 30.695 30.432 0.263 18393
838 1 3 . 1 1 11 11 MET H H 25 8.201 8.201 8.422 -0.221 18393
839 1 3 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.687 -0.363 18393
840 1 3 . 1 1 12 12 PRO C C 26 174.890 174.890 176.318 -1.428 18393
841 1 3 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.834 0.647 18393
842 1 3 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.594 0.131 18393
843 1 3 . 1 1 13 13 SER N N 27 116.608 116.608 115.608 1.000 18393
844 1 3 . 1 1 13 13 SER HA H 27 4.781 4.781 4.740 0.041 18393
845 1 3 . 1 1 13 13 SER C C 27 173.365 173.365 173.487 -0.122 18393
846 1 3 . 1 1 13 13 SER CA C 27 57.219 57.219 57.927 -0.708 18393
847 1 3 . 1 1 13 13 SER CB C 27 64.227 64.227 64.155 0.072 18393
848 1 3 . 1 1 13 13 SER H H 27 8.555 8.555 8.512 0.043 18393
849 1 3 . 1 1 14 14 TYR N N 28 125.256 125.256 123.653 1.603 18393
850 1 3 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.075 0.546 18393
851 1 3 . 1 1 14 14 TYR C C 28 176.175 176.175 174.705 1.470 18393
852 1 3 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.861 -0.298 18393
853 1 3 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.826 1.035 18393
854 1 3 . 1 1 14 14 TYR H H 28 8.939 8.939 8.615 0.324 18393
855 1 3 . 1 1 15 15 ARG N N 29 120.540 120.540 125.784 -5.244 18393
856 1 3 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.691 -0.149 18393
857 1 3 . 1 1 15 15 ARG C C 29 173.134 173.134 175.129 -1.995 18393
858 1 3 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.343 -0.523 18393
859 1 3 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.121 0.600 18393
860 1 3 . 1 1 15 15 ARG H H 29 9.159 9.159 9.169 -0.010 18393
861 1 3 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.580 -1.683 18393
862 1 3 . 1 1 16 16 CYS C C 30 174.180 174.180 175.480 -1.300 18393
863 1 3 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.352 -1.633 18393
864 1 3 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.019 -1.913 18393
865 1 3 . 1 1 17 17 VAL N N 31 132.259 132.259 125.761 6.498 18393
866 1 3 . 1 1 17 17 VAL HA H 31 3.651 3.651 3.963 -0.312 18393
867 1 3 . 1 1 17 17 VAL C C 31 175.711 175.711 175.565 0.146 18393
868 1 3 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.457 -0.371 18393
869 1 3 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.288 0.224 18393
870 1 3 . 1 1 17 17 VAL H H 31 8.659 8.659 8.735 -0.076 18393
871 1 3 . 1 1 18 18 LYS N N 32 118.630 118.630 120.054 -1.424 18393
872 1 3 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.619 -0.259 18393
873 1 3 . 1 1 18 18 LYS C C 32 173.015 173.015 174.441 -1.426 18393
874 1 3 . 1 1 18 18 LYS CA C 32 56.402 56.402 54.788 1.614 18393
875 1 3 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.103 0.901 18393
876 1 3 . 1 1 18 18 LYS H H 32 7.673 7.673 8.132 -0.459 18393
877 1 3 . 1 1 19 19 GLU N N 33 125.800 125.800 125.206 0.594 18393
878 1 3 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.548 0.305 18393
879 1 3 . 1 1 19 19 GLU C C 33 175.060 175.060 175.802 -0.742 18393
880 1 3 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.365 -0.801 18393
881 1 3 . 1 1 19 19 GLU CB C 33 32.137 32.137 31.805 0.332 18393
882 1 3 . 1 1 19 19 GLU H H 33 8.431 8.431 8.654 -0.223 18393
883 1 3 . 1 1 20 20 GLY N N 34 111.079 111.079 110.762 0.317 18393
884 1 3 . 1 1 20 20 GLY C C 34 172.318 172.318 174.299 -1.981 18393
885 1 3 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.807 -0.166 18393
886 1 3 . 1 1 20 20 GLY H H 34 8.345 8.345 8.724 -0.379 18393
887 1 3 . 1 1 21 21 GLY N N 35 107.395 107.395 111.638 -4.243 18393
888 1 3 . 1 1 21 21 GLY C C 35 171.757 171.757 173.305 -1.548 18393
889 1 3 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.517 -0.780 18393
890 1 3 . 1 1 21 21 GLY H H 35 8.184 8.184 8.418 -0.234 18393
891 1 3 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.188 0.288 18393
892 1 3 . 1 1 22 22 PRO C C 36 177.171 177.171 176.616 0.555 18393
893 1 3 . 1 1 22 22 PRO CA C 36 62.263 62.263 65.623 -3.360 18393
894 1 3 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.853 0.408 18393
895 1 3 . 1 1 23 23 ALA N N 37 120.595 120.595 114.520 6.075 18393
896 1 3 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.289 -0.466 18393
897 1 3 . 1 1 23 23 ALA C C 37 178.547 178.547 177.876 0.671 18393
898 1 3 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.825 2.668 18393
899 1 3 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.597 -0.046 18393
900 1 3 . 1 1 23 23 ALA H H 37 8.580 8.580 7.545 1.034 18393
901 1 3 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.580 0.035 18393
902 1 3 . 1 1 24 24 HIS C C 38 174.890 174.890 174.500 0.390 18393
903 1 3 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.133 -1.272 18393
904 1 3 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.548 0.812 18393
905 1 3 . 1 1 25 25 ALA N N 39 128.271 128.271 121.886 6.385 18393
906 1 3 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.454 0.020 18393
907 1 3 . 1 1 25 25 ALA C C 39 174.351 174.351 176.866 -2.515 18393
908 1 3 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.771 -0.455 18393
909 1 3 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.777 -1.666 18393
910 1 3 . 1 1 25 25 ALA H H 39 7.697 7.697 7.787 -0.090 18393
911 1 3 . 1 1 26 26 LYS N N 40 121.927 121.927 120.299 1.628 18393
912 1 3 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.171 -0.053 18393
913 1 3 . 1 1 26 26 LYS C C 40 177.551 177.551 174.979 2.572 18393
914 1 3 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.608 1.536 18393
915 1 3 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.048 1.024 18393
916 1 3 . 1 1 26 26 LYS H H 40 7.990 7.990 7.742 0.248 18393
917 1 3 . 1 1 27 27 ARG N N 41 119.572 119.572 117.006 2.566 18393
918 1 3 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.048 0.590 18393
919 1 3 . 1 1 27 27 ARG C C 41 174.770 174.770 175.493 -0.723 18393
920 1 3 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.014 -1.536 18393
921 1 3 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.406 2.984 18393
922 1 3 . 1 1 27 27 ARG H H 41 8.296 8.296 7.357 0.939 18393
923 1 3 . 1 1 28 28 PHE N N 42 120.381 120.381 123.365 -2.984 18393
924 1 3 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.153 -0.106 18393
925 1 3 . 1 1 28 28 PHE C C 42 174.407 174.407 175.690 -1.283 18393
926 1 3 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.108 1.918 18393
927 1 3 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.535 2.594 18393
928 1 3 . 1 1 28 28 PHE H H 42 9.339 9.339 8.902 0.437 18393
929 1 3 . 1 1 29 29 THR N N 43 117.999 117.999 118.862 -0.863 18393
930 1 3 . 1 1 29 29 THR HA H 43 4.704 4.704 4.767 -0.063 18393
931 1 3 . 1 1 29 29 THR C C 43 173.713 173.713 172.864 0.849 18393
932 1 3 . 1 1 29 29 THR CA C 43 62.117 62.117 61.934 0.184 18393
933 1 3 . 1 1 29 29 THR CB C 43 70.104 70.104 70.638 -0.534 18393
934 1 3 . 1 1 29 29 THR H H 43 8.949 8.949 8.584 0.365 18393
935 1 3 . 1 1 30 30 PHE N N 44 129.592 129.592 126.775 2.817 18393
936 1 3 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.975 0.420 18393
937 1 3 . 1 1 30 30 PHE C C 44 173.221 173.221 172.864 0.357 18393
938 1 3 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.928 0.495 18393
939 1 3 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.740 1.177 18393
940 1 3 . 1 1 30 30 PHE H H 44 10.048 10.048 8.796 1.252 18393
941 1 3 . 1 1 31 31 GLY N N 45 105.921 105.921 109.882 -3.961 18393
942 1 3 . 1 1 31 31 GLY C C 45 172.774 172.774 171.058 1.716 18393
943 1 3 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.208 0.330 18393
944 1 3 . 1 1 31 31 GLY H H 45 9.290 9.290 8.042 1.248 18393
945 1 3 . 1 1 32 32 VAL N N 46 121.311 121.311 123.910 -2.599 18393
946 1 3 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.684 0.666 18393
947 1 3 . 1 1 32 32 VAL C C 46 171.140 171.140 173.977 -2.837 18393
948 1 3 . 1 1 32 32 VAL CA C 46 58.832 58.832 58.853 -0.021 18393
949 1 3 . 1 1 32 32 VAL CB C 46 36.387 36.387 35.357 1.030 18393
950 1 3 . 1 1 32 32 VAL H H 46 8.906 8.906 7.399 1.507 18393
951 1 3 . 1 1 33 33 ARG N N 47 122.102 122.102 126.170 -4.068 18393
952 1 3 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.177 -0.606 18393
953 1 3 . 1 1 33 33 ARG C C 47 173.683 173.683 174.356 -0.673 18393
954 1 3 . 1 1 33 33 ARG CA C 47 54.958 54.958 53.910 1.048 18393
955 1 3 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.857 1.859 18393
956 1 3 . 1 1 33 33 ARG H H 47 8.008 8.008 7.831 0.177 18393
957 1 3 . 1 1 34 34 VAL N N 48 117.391 117.391 120.227 -2.836 18393
958 1 3 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.509 0.278 18393
959 1 3 . 1 1 34 34 VAL C C 48 172.777 172.777 173.340 -0.563 18393
960 1 3 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.180 -0.210 18393
961 1 3 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.284 0.028 18393
962 1 3 . 1 1 34 34 VAL H H 48 8.103 8.103 9.102 -0.999 18393
963 1 3 . 1 1 35 35 ASN N N 49 127.065 127.065 121.952 5.113 18393
964 1 3 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.310 -0.774 18393
965 1 3 . 1 1 35 35 ASN C C 49 174.221 174.221 174.040 0.181 18393
966 1 3 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.063 -0.456 18393
967 1 3 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.452 -2.710 18393
968 1 3 . 1 1 35 35 ASN H H 49 8.543 8.543 8.554 -0.011 18393
969 1 3 . 1 1 36 36 THR N N 50 114.402 114.402 115.501 -1.099 18393
970 1 3 . 1 1 36 36 THR HA H 50 2.159 2.159 2.868 -0.709 18393
971 1 3 . 1 1 36 36 THR C C 50 175.168 175.168 175.807 -0.639 18393
972 1 3 . 1 1 36 36 THR CA C 50 61.126 61.126 61.108 0.018 18393
973 1 3 . 1 1 36 36 THR CB C 50 69.987 69.987 68.920 1.067 18393
974 1 3 . 1 1 36 36 THR H H 50 6.801 6.801 7.744 -0.943 18393
975 1 3 . 1 1 37 37 SER N N 51 114.587 114.587 122.171 -7.584 18393
976 1 3 . 1 1 37 37 SER HA H 51 4.105 4.105 4.053 0.052 18393
977 1 3 . 1 1 37 37 SER C C 51 174.760 174.760 174.996 -0.236 18393
978 1 3 . 1 1 37 37 SER CA C 51 59.958 59.958 61.353 -1.395 18393
979 1 3 . 1 1 37 37 SER CB C 51 63.115 63.115 62.888 0.227 18393
980 1 3 . 1 1 37 37 SER H H 51 6.797 6.797 8.529 -1.732 18393
981 1 3 . 1 1 38 38 ASP N N 52 117.329 117.329 118.460 -1.131 18393
982 1 3 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.615 -0.026 18393
983 1 3 . 1 1 38 38 ASP C C 52 177.236 177.236 176.701 0.535 18393
984 1 3 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.398 0.152 18393
985 1 3 . 1 1 38 38 ASP CB C 52 40.606 40.606 41.125 -0.519 18393
986 1 3 . 1 1 38 38 ASP H H 52 8.784 8.784 8.131 0.653 18393
987 1 3 . 1 1 39 39 ARG N N 53 118.330 118.330 120.578 -2.248 18393
988 1 3 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.428 0.068 18393
989 1 3 . 1 1 39 39 ARG C C 53 176.062 176.062 176.216 -0.154 18393
990 1 3 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.536 -0.486 18393
991 1 3 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.060 -1.619 18393
992 1 3 . 1 1 39 39 ARG H H 53 7.666 7.666 7.836 -0.170 18393
993 1 3 . 1 1 40 40 GLY N N 54 110.510 110.510 107.366 3.144 18393
994 1 3 . 1 1 40 40 GLY C C 54 177.680 177.680 172.799 4.881 18393
995 1 3 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.167 0.510 18393
996 1 3 . 1 1 40 40 GLY H H 54 7.248 7.248 7.837 -0.589 18393
997 1 3 . 1 1 41 41 TRP N N 55 123.328 123.328 123.276 0.052 18393
998 1 3 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.764 0.155 18393
999 1 3 . 1 1 41 41 TRP C C 55 178.873 178.873 177.282 1.591 18393
1000 1 3 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.337 0.780 18393
1001 1 3 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.426 0.348 18393
1002 1 3 . 1 1 41 41 TRP H H 55 8.289 8.289 8.253 0.036 18393
1003 1 3 . 1 1 42 42 THR N N 56 114.627 114.627 117.119 -2.492 18393
1004 1 3 . 1 1 42 42 THR HA H 56 4.329 4.329 4.326 0.003 18393
1005 1 3 . 1 1 42 42 THR C C 56 175.261 175.261 174.646 0.615 18393
1006 1 3 . 1 1 42 42 THR CA C 56 61.698 61.698 61.685 0.013 18393
1007 1 3 . 1 1 42 42 THR CB C 56 72.359 72.359 69.956 2.403 18393
1008 1 3 . 1 1 42 42 THR H H 56 8.972 8.972 8.500 0.472 18393
1009 1 3 . 1 1 43 43 ASP N N 57 120.151 120.151 121.840 -1.689 18393
1010 1 3 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.479 -0.034 18393
1011 1 3 . 1 1 43 43 ASP C C 57 175.710 175.710 176.229 -0.519 18393
1012 1 3 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.170 1.206 18393
1013 1 3 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.690 0.182 18393
1014 1 3 . 1 1 43 43 ASP H H 57 8.379 8.379 8.362 0.017 18393
1015 1 3 . 1 1 44 44 GLU N N 58 122.449 122.449 121.491 0.958 18393
1016 1 3 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.466 -0.001 18393
1017 1 3 . 1 1 44 44 GLU C C 58 176.412 176.412 176.695 -0.283 18393
1018 1 3 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.599 -1.128 18393
1019 1 3 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.055 1.004 18393
1020 1 3 . 1 1 44 44 GLU H H 58 8.581 8.581 8.443 0.138 18393
1021 1 3 . 1 1 45 45 CYS N N 59 126.725 126.725 123.493 3.232 18393
1022 1 3 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.572 0.123 18393
1023 1 3 . 1 1 45 45 CYS C C 59 173.364 173.364 174.457 -1.093 18393
1024 1 3 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.599 1.321 18393
1025 1 3 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.488 3.196 18393
1026 1 3 . 1 1 45 45 CYS H H 59 8.671 8.671 8.530 0.141 18393
1027 1 3 . 1 1 46 46 ILE N N 60 126.614 126.614 127.269 -0.655 18393
1028 1 3 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.427 0.266 18393
1029 1 3 . 1 1 46 46 ILE C C 60 176.175 176.175 176.803 -0.628 18393
1030 1 3 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.679 0.097 18393
1031 1 3 . 1 1 46 46 ILE CB C 60 38.346 38.346 36.978 1.368 18393
1032 1 3 . 1 1 46 46 ILE H H 60 8.735 8.735 8.214 0.521 18393
1033 1 3 . 1 1 47 47 GLY N N 61 112.366 112.366 116.857 -4.491 18393
1034 1 3 . 1 1 47 47 GLY C C 61 171.844 171.844 173.741 -1.897 18393
1035 1 3 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.187 0.096 18393
1036 1 3 . 1 1 47 47 GLY H H 61 8.610 8.610 8.466 0.144 18393
1037 1 3 . 1 1 48 48 GLU N N 62 115.030 115.030 120.463 -5.433 18393
1038 1 3 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.591 -0.046 18393
1039 1 3 . 1 1 48 48 GLU C C 62 174.927 174.927 174.709 0.218 18393
1040 1 3 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.443 -0.561 18393
1041 1 3 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.939 0.410 18393
1042 1 3 . 1 1 48 48 GLU H H 62 8.214 8.214 8.282 -0.068 18393
1043 1 3 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.457 0.407 18393
1044 1 3 . 1 1 49 49 PRO C C 63 178.286 178.286 176.180 2.106 18393
1045 1 3 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.344 -1.084 18393
1046 1 3 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.641 -0.374 18393
1047 1 3 . 1 1 50 50 MET N N 64 123.505 123.505 124.625 -1.120 18393
1048 1 3 . 1 1 50 50 MET HA H 64 5.530 5.530 4.899 0.631 18393
1049 1 3 . 1 1 50 50 MET C C 64 176.337 176.337 175.055 1.282 18393
1050 1 3 . 1 1 50 50 MET CA C 64 51.674 51.674 51.533 0.141 18393
1051 1 3 . 1 1 50 50 MET CB C 64 37.597 37.597 34.198 3.399 18393
1052 1 3 . 1 1 50 50 MET H H 64 9.267 9.267 8.855 0.412 18393
1053 1 3 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.422 0.664 18393
1054 1 3 . 1 1 51 51 PRO C C 65 174.862 174.862 175.363 -0.501 18393
1055 1 3 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.107 0.559 18393
1056 1 3 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.604 0.923 18393
1057 1 3 . 1 1 52 52 SER N N 66 109.598 109.598 112.908 -3.310 18393
1058 1 3 . 1 1 52 52 SER HA H 66 4.813 4.813 4.966 -0.153 18393
1059 1 3 . 1 1 52 52 SER C C 66 173.368 173.368 174.498 -1.130 18393
1060 1 3 . 1 1 52 52 SER CA C 66 55.463 55.463 56.913 -1.450 18393
1061 1 3 . 1 1 52 52 SER CB C 66 66.775 66.775 66.695 0.080 18393
1062 1 3 . 1 1 52 52 SER H H 66 7.165 7.165 7.311 -0.146 18393
1063 1 3 . 1 1 53 53 VAL N N 67 124.347 124.347 123.713 0.634 18393
1064 1 3 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.938 -1.108 18393
1065 1 3 . 1 1 53 53 VAL C C 67 177.116 177.116 177.221 -0.105 18393
1066 1 3 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.841 0.988 18393
1067 1 3 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.668 -0.344 18393
1068 1 3 . 1 1 53 53 VAL H H 67 8.522 8.522 8.808 -0.286 18393
1069 1 3 . 1 1 54 54 LYS N N 68 118.639 118.639 120.633 -1.994 18393
1070 1 3 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.054 -0.585 18393
1071 1 3 . 1 1 54 54 LYS C C 68 178.286 178.286 178.454 -0.168 18393
1072 1 3 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.738 0.612 18393
1073 1 3 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.132 0.232 18393
1074 1 3 . 1 1 54 54 LYS H H 68 8.098 8.098 8.582 -0.484 18393
1075 1 3 . 1 1 55 55 LYS N N 69 115.388 115.388 117.815 -2.427 18393
1076 1 3 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.297 -0.203 18393
1077 1 3 . 1 1 55 55 LYS C C 69 179.694 179.694 178.465 1.229 18393
1078 1 3 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.381 0.447 18393
1079 1 3 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.104 0.735 18393
1080 1 3 . 1 1 55 55 LYS H H 69 7.499 7.499 7.626 -0.127 18393
1081 1 3 . 1 1 56 56 ALA N N 70 124.226 124.226 124.848 -0.622 18393
1082 1 3 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.164 -0.015 18393
1083 1 3 . 1 1 56 56 ALA C C 70 181.217 181.217 179.373 1.844 18393
1084 1 3 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.348 0.368 18393
1085 1 3 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.665 1.845 18393
1086 1 3 . 1 1 56 56 ALA H H 70 8.296 8.296 7.967 0.329 18393
1087 1 3 . 1 1 57 57 LYS N N 71 120.522 120.522 117.645 2.877 18393
1088 1 3 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.095 -0.452 18393
1089 1 3 . 1 1 57 57 LYS C C 71 177.937 177.937 178.498 -0.561 18393
1090 1 3 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.606 1.481 18393
1091 1 3 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.715 0.413 18393
1092 1 3 . 1 1 57 57 LYS H H 71 8.385 8.385 7.551 0.834 18393
1093 1 3 . 1 1 58 58 ASP N N 72 119.428 119.428 119.950 -0.522 18393
1094 1 3 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.393 -0.087 18393
1095 1 3 . 1 1 58 58 ASP C C 72 177.042 177.042 178.649 -1.607 18393
1096 1 3 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.273 0.867 18393
1097 1 3 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.667 -0.542 18393
1098 1 3 . 1 1 58 58 ASP H H 72 8.029 8.029 7.827 0.202 18393
1099 1 3 . 1 1 59 59 SER N N 73 111.435 111.435 115.537 -4.102 18393
1100 1 3 . 1 1 59 59 SER HA H 73 4.243 4.243 4.177 0.066 18393
1101 1 3 . 1 1 59 59 SER C C 73 177.000 177.000 176.464 0.536 18393
1102 1 3 . 1 1 59 59 SER CA C 73 63.579 63.579 61.421 2.158 18393
1103 1 3 . 1 1 59 59 SER CB C 73 60.947 60.947 63.063 -2.116 18393
1104 1 3 . 1 1 59 59 SER H H 73 7.785 7.785 8.024 -0.239 18393
1105 1 3 . 1 1 60 60 ALA N N 74 120.363 120.363 123.537 -3.174 18393
1106 1 3 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.010 -0.047 18393
1107 1 3 . 1 1 60 60 ALA C C 74 178.170 178.170 179.439 -1.269 18393
1108 1 3 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.978 0.520 18393
1109 1 3 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.453 -0.542 18393
1110 1 3 . 1 1 60 60 ALA H H 74 7.472 7.472 7.710 -0.238 18393
1111 1 3 . 1 1 61 61 ALA N N 75 118.116 118.116 121.598 -3.482 18393
1112 1 3 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.095 -0.147 18393
1113 1 3 . 1 1 61 61 ALA C C 75 179.341 179.341 179.500 -0.159 18393
1114 1 3 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.233 0.427 18393
1115 1 3 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.441 0.501 18393
1116 1 3 . 1 1 61 61 ALA H H 75 8.653 8.653 8.428 0.225 18393
1117 1 3 . 1 1 62 62 VAL N N 76 115.858 115.858 118.017 -2.159 18393
1118 1 3 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.718 -0.062 18393
1119 1 3 . 1 1 62 62 VAL C C 76 178.051 178.051 177.886 0.165 18393
1120 1 3 . 1 1 62 62 VAL CA C 76 66.651 66.651 67.317 -0.665 18393
1121 1 3 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.671 0.176 18393
1122 1 3 . 1 1 62 62 VAL H H 76 8.124 8.124 7.542 0.582 18393
1123 1 3 . 1 1 63 63 LEU N N 77 119.881 119.881 118.397 1.484 18393
1124 1 3 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.090 0.099 18393
1125 1 3 . 1 1 63 63 LEU C C 77 179.692 179.692 178.957 0.735 18393
1126 1 3 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.039 0.545 18393
1127 1 3 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.691 0.225 18393
1128 1 3 . 1 1 63 63 LEU H H 77 7.038 7.038 7.323 -0.285 18393
1129 1 3 . 1 1 64 64 LEU N N 78 122.083 122.083 122.337 -0.254 18393
1130 1 3 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.150 0.378 18393
1131 1 3 . 1 1 64 64 LEU C C 78 178.601 178.601 178.683 -0.082 18393
1132 1 3 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.860 -0.402 18393
1133 1 3 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.996 -0.742 18393
1134 1 3 . 1 1 64 64 LEU H H 78 7.694 7.694 8.055 -0.361 18393
1135 1 3 . 1 1 65 65 LEU N N 79 120.548 120.548 117.712 2.836 18393
1136 1 3 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.045 -0.181 18393
1137 1 3 . 1 1 65 65 LEU C C 79 178.861 178.861 179.019 -0.158 18393
1138 1 3 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.993 0.484 18393
1139 1 3 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.258 0.360 18393
1140 1 3 . 1 1 65 65 LEU H H 79 8.671 8.671 8.700 -0.029 18393
1141 1 3 . 1 1 66 66 GLU N N 80 117.398 117.398 118.647 -1.249 18393
1142 1 3 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.125 -0.066 18393
1143 1 3 . 1 1 66 66 GLU C C 80 178.957 178.957 178.218 0.739 18393
1144 1 3 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.771 0.565 18393
1145 1 3 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.268 0.113 18393
1146 1 3 . 1 1 66 66 GLU H H 80 7.613 7.613 7.571 0.042 18393
1147 1 3 . 1 1 67 67 LEU N N 81 120.633 120.633 120.435 0.198 18393
1148 1 3 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.166 -0.006 18393
1149 1 3 . 1 1 67 67 LEU C C 81 180.162 180.162 179.085 1.077 18393
1150 1 3 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.554 0.559 18393
1151 1 3 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.249 -0.192 18393
1152 1 3 . 1 1 67 67 LEU H H 81 7.656 7.656 7.244 0.412 18393
1153 1 3 . 1 1 68 68 LEU N N 82 118.949 118.949 118.886 0.063 18393
1154 1 3 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.183 -0.020 18393
1155 1 3 . 1 1 68 68 LEU C C 82 178.289 178.289 178.895 -0.606 18393
1156 1 3 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.387 0.468 18393
1157 1 3 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.157 0.861 18393
1158 1 3 . 1 1 68 68 LEU H H 82 8.583 8.583 8.555 0.028 18393
1159 1 3 . 1 1 69 69 ASN N N 83 116.570 116.570 116.769 -0.199 18393
1160 1 3 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.653 0.076 18393
1161 1 3 . 1 1 69 69 ASN C C 83 174.784 174.784 175.548 -0.764 18393
1162 1 3 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.245 -0.506 18393
1163 1 3 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.793 0.355 18393
1164 1 3 . 1 1 69 69 ASN H H 83 7.920 7.920 7.721 0.199 18393
1165 1 3 . 1 1 70 70 LYS N N 84 120.363 120.363 119.243 1.120 18393
1166 1 3 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.576 -0.172 18393
1167 1 3 . 1 1 70 70 LYS C C 84 175.910 175.910 174.850 1.060 18393
1168 1 3 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.839 0.997 18393
1169 1 3 . 1 1 70 70 LYS CB C 84 32.999 32.999 33.079 -0.080 18393
1170 1 3 . 1 1 70 70 LYS H H 84 7.593 7.593 7.830 -0.237 18393
1171 1 4 . 1 1 2 2 ASP N N 16 119.381 119.381 122.370 -2.989 18393
1172 1 4 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.564 -0.224 18393
1173 1 4 . 1 1 2 2 ASP C C 16 178.935 178.935 178.152 0.783 18393
1174 1 4 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.043 0.665 18393
1175 1 4 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.887 -0.206 18393
1176 1 4 . 1 1 2 2 ASP H H 16 8.320 8.320 8.454 -0.134 18393
1177 1 4 . 1 1 3 3 ILE N N 17 121.475 121.475 120.713 0.762 18393
1178 1 4 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.843 -0.297 18393
1179 1 4 . 1 1 3 3 ILE C C 17 177.116 177.116 177.732 -0.616 18393
1180 1 4 . 1 1 3 3 ILE CA C 17 65.233 65.233 63.920 1.313 18393
1181 1 4 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.295 0.406 18393
1182 1 4 . 1 1 3 3 ILE H H 17 7.793 7.793 8.064 -0.271 18393
1183 1 4 . 1 1 4 4 CYS N N 18 117.506 117.506 118.230 -0.724 18393
1184 1 4 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.409 -0.467 18393
1185 1 4 . 1 1 4 4 CYS C C 18 176.671 176.671 177.203 -0.532 18393
1186 1 4 . 1 1 4 4 CYS CA C 18 64.624 64.624 63.246 1.378 18393
1187 1 4 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.772 -0.807 18393
1188 1 4 . 1 1 4 4 CYS H H 18 7.823 7.823 8.049 -0.226 18393
1189 1 4 . 1 1 5 5 LEU N N 19 118.832 118.832 122.366 -3.534 18393
1190 1 4 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.205 -0.109 18393
1191 1 4 . 1 1 5 5 LEU C C 19 180.698 180.698 179.431 1.267 18393
1192 1 4 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.972 -0.035 18393
1193 1 4 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.860 0.206 18393
1194 1 4 . 1 1 5 5 LEU H H 19 8.101 8.101 8.590 -0.489 18393
1195 1 4 . 1 1 6 6 ARG N N 20 119.443 119.443 120.249 -0.806 18393
1196 1 4 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.012 -0.078 18393
1197 1 4 . 1 1 6 6 ARG C C 20 178.169 178.169 177.749 0.420 18393
1198 1 4 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.150 0.725 18393
1199 1 4 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.932 0.048 18393
1200 1 4 . 1 1 6 6 ARG H H 20 7.934 7.934 8.258 -0.324 18393
1201 1 4 . 1 1 7 7 LYS N N 21 116.636 116.636 116.576 0.060 18393
1202 1 4 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.891 -0.118 18393
1203 1 4 . 1 1 7 7 LYS C C 21 175.224 175.224 175.784 -0.560 18393
1204 1 4 . 1 1 7 7 LYS CA C 21 55.078 55.078 54.985 0.093 18393
1205 1 4 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.564 -0.048 18393
1206 1 4 . 1 1 7 7 LYS H H 21 7.553 7.553 7.378 0.175 18393
1207 1 4 . 1 1 8 8 ASN N N 22 114.898 114.898 114.548 0.350 18393
1208 1 4 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.426 -0.124 18393
1209 1 4 . 1 1 8 8 ASN C C 22 174.073 174.073 174.556 -0.483 18393
1210 1 4 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.222 0.211 18393
1211 1 4 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.484 -0.467 18393
1212 1 4 . 1 1 8 8 ASN H H 22 7.640 7.640 7.546 0.094 18393
1213 1 4 . 1 1 9 9 TRP N N 23 120.563 120.563 119.402 1.161 18393
1214 1 4 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.097 0.144 18393
1215 1 4 . 1 1 9 9 TRP C C 23 173.601 173.601 175.120 -1.519 18393
1216 1 4 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.345 -2.525 18393
1217 1 4 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.684 0.890 18393
1218 1 4 . 1 1 9 9 TRP H H 23 8.692 8.692 7.787 0.905 18393
1219 1 4 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.433 0.026 18393
1220 1 4 . 1 1 10 10 PRO C C 24 175.391 175.391 176.406 -1.015 18393
1221 1 4 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.410 -0.312 18393
1222 1 4 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.553 -0.971 18393
1223 1 4 . 1 1 11 11 MET N N 25 116.562 116.562 117.581 -1.019 18393
1224 1 4 . 1 1 11 11 MET HA H 25 4.751 4.751 4.730 0.021 18393
1225 1 4 . 1 1 11 11 MET C C 25 175.240 175.240 174.966 0.274 18393
1226 1 4 . 1 1 11 11 MET CA C 25 53.800 53.800 52.993 0.807 18393
1227 1 4 . 1 1 11 11 MET CB C 25 30.695 30.695 30.825 -0.130 18393
1228 1 4 . 1 1 11 11 MET H H 25 8.201 8.201 8.483 -0.282 18393
1229 1 4 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.789 -0.465 18393
1230 1 4 . 1 1 12 12 PRO C C 26 174.890 174.890 175.934 -1.044 18393
1231 1 4 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.476 1.005 18393
1232 1 4 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.876 -0.151 18393
1233 1 4 . 1 1 13 13 SER N N 27 116.608 116.608 115.552 1.056 18393
1234 1 4 . 1 1 13 13 SER HA H 27 4.781 4.781 4.813 -0.032 18393
1235 1 4 . 1 1 13 13 SER C C 27 173.365 173.365 173.557 -0.192 18393
1236 1 4 . 1 1 13 13 SER CA C 27 57.219 57.219 58.104 -0.885 18393
1237 1 4 . 1 1 13 13 SER CB C 27 64.227 64.227 64.230 -0.003 18393
1238 1 4 . 1 1 13 13 SER H H 27 8.555 8.555 8.613 -0.058 18393
1239 1 4 . 1 1 14 14 TYR N N 28 125.256 125.256 122.940 2.316 18393
1240 1 4 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.082 0.539 18393
1241 1 4 . 1 1 14 14 TYR C C 28 176.175 176.175 174.684 1.491 18393
1242 1 4 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.870 -0.307 18393
1243 1 4 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.849 1.012 18393
1244 1 4 . 1 1 14 14 TYR H H 28 8.939 8.939 8.652 0.287 18393
1245 1 4 . 1 1 15 15 ARG N N 29 120.540 120.540 126.490 -5.950 18393
1246 1 4 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.836 -0.294 18393
1247 1 4 . 1 1 15 15 ARG C C 29 173.134 173.134 174.812 -1.678 18393
1248 1 4 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.947 -0.126 18393
1249 1 4 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.048 0.673 18393
1250 1 4 . 1 1 15 15 ARG H H 29 9.159 9.159 9.072 0.087 18393
1251 1 4 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.683 -1.786 18393
1252 1 4 . 1 1 16 16 CYS C C 30 174.180 174.180 175.715 -1.535 18393
1253 1 4 . 1 1 16 16 CYS CA C 30 58.719 58.719 58.856 -0.137 18393
1254 1 4 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.290 -2.184 18393
1255 1 4 . 1 1 17 17 VAL N N 31 132.259 132.259 120.825 11.434 18393
1256 1 4 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.160 -0.509 18393
1257 1 4 . 1 1 17 17 VAL C C 31 175.711 175.711 175.658 0.053 18393
1258 1 4 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.074 1.012 18393
1259 1 4 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.394 0.118 18393
1260 1 4 . 1 1 17 17 VAL H H 31 8.659 8.659 8.558 0.101 18393
1261 1 4 . 1 1 18 18 LYS N N 32 118.630 118.630 121.404 -2.774 18393
1262 1 4 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.617 -0.257 18393
1263 1 4 . 1 1 18 18 LYS C C 32 173.015 173.015 174.451 -1.436 18393
1264 1 4 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.955 0.448 18393
1265 1 4 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.188 0.816 18393
1266 1 4 . 1 1 18 18 LYS H H 32 7.673 7.673 8.231 -0.558 18393
1267 1 4 . 1 1 19 19 GLU N N 33 125.800 125.800 124.581 1.219 18393
1268 1 4 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.955 -0.102 18393
1269 1 4 . 1 1 19 19 GLU C C 33 175.060 175.060 176.918 -1.858 18393
1270 1 4 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.928 -1.364 18393
1271 1 4 . 1 1 19 19 GLU CB C 33 32.137 32.137 34.179 -2.042 18393
1272 1 4 . 1 1 19 19 GLU H H 33 8.431 8.431 8.795 -0.364 18393
1273 1 4 . 1 1 20 20 GLY N N 34 111.079 111.079 113.357 -2.278 18393
1274 1 4 . 1 1 20 20 GLY C C 34 172.318 172.318 174.456 -2.138 18393
1275 1 4 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.554 -0.913 18393
1276 1 4 . 1 1 20 20 GLY H H 34 8.345 8.345 8.810 -0.465 18393
1277 1 4 . 1 1 21 21 GLY N N 35 107.395 107.395 110.454 -3.059 18393
1278 1 4 . 1 1 21 21 GLY C C 35 171.757 171.757 173.171 -1.414 18393
1279 1 4 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.266 -1.529 18393
1280 1 4 . 1 1 21 21 GLY H H 35 8.184 8.184 7.866 0.318 18393
1281 1 4 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.189 0.287 18393
1282 1 4 . 1 1 22 22 PRO C C 36 177.171 177.171 176.210 0.961 18393
1283 1 4 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.610 -2.347 18393
1284 1 4 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.838 0.423 18393
1285 1 4 . 1 1 23 23 ALA N N 37 120.595 120.595 115.721 4.874 18393
1286 1 4 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.199 -0.376 18393
1287 1 4 . 1 1 23 23 ALA C C 37 178.547 178.547 176.580 1.967 18393
1288 1 4 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.520 2.973 18393
1289 1 4 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.487 0.064 18393
1290 1 4 . 1 1 23 23 ALA H H 37 8.580 8.580 7.726 0.854 18393
1291 1 4 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.542 0.073 18393
1292 1 4 . 1 1 24 24 HIS C C 38 174.890 174.890 174.678 0.212 18393
1293 1 4 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.102 -0.241 18393
1294 1 4 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.149 1.211 18393
1295 1 4 . 1 1 25 25 ALA N N 39 128.271 128.271 123.298 4.973 18393
1296 1 4 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.541 -0.067 18393
1297 1 4 . 1 1 25 25 ALA C C 39 174.351 174.351 176.401 -2.050 18393
1298 1 4 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.208 0.108 18393
1299 1 4 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.528 -1.417 18393
1300 1 4 . 1 1 25 25 ALA H H 39 7.697 7.697 7.375 0.322 18393
1301 1 4 . 1 1 26 26 LYS N N 40 121.927 121.927 119.769 2.158 18393
1302 1 4 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.162 -0.044 18393
1303 1 4 . 1 1 26 26 LYS C C 40 177.551 177.551 175.412 2.139 18393
1304 1 4 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.297 0.848 18393
1305 1 4 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.050 1.022 18393
1306 1 4 . 1 1 26 26 LYS H H 40 7.990 7.990 8.258 -0.268 18393
1307 1 4 . 1 1 27 27 ARG N N 41 119.572 119.572 118.857 0.715 18393
1308 1 4 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.115 0.523 18393
1309 1 4 . 1 1 27 27 ARG C C 41 174.770 174.770 175.539 -0.769 18393
1310 1 4 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.795 -2.317 18393
1311 1 4 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.952 2.438 18393
1312 1 4 . 1 1 27 27 ARG H H 41 8.296 8.296 7.511 0.785 18393
1313 1 4 . 1 1 28 28 PHE N N 42 120.381 120.381 123.876 -3.495 18393
1314 1 4 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.328 -0.281 18393
1315 1 4 . 1 1 28 28 PHE C C 42 174.407 174.407 175.831 -1.424 18393
1316 1 4 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.297 1.728 18393
1317 1 4 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.483 2.646 18393
1318 1 4 . 1 1 28 28 PHE H H 42 9.339 9.339 9.047 0.292 18393
1319 1 4 . 1 1 29 29 THR N N 43 117.999 117.999 118.719 -0.720 18393
1320 1 4 . 1 1 29 29 THR HA H 43 4.704 4.704 4.841 -0.137 18393
1321 1 4 . 1 1 29 29 THR C C 43 173.713 173.713 173.257 0.456 18393
1322 1 4 . 1 1 29 29 THR CA C 43 62.117 62.117 61.801 0.316 18393
1323 1 4 . 1 1 29 29 THR CB C 43 70.104 70.104 71.023 -0.919 18393
1324 1 4 . 1 1 29 29 THR H H 43 8.949 8.949 9.245 -0.296 18393
1325 1 4 . 1 1 30 30 PHE N N 44 129.592 129.592 126.153 3.439 18393
1326 1 4 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.009 0.386 18393
1327 1 4 . 1 1 30 30 PHE C C 44 173.221 173.221 172.794 0.427 18393
1328 1 4 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.265 0.158 18393
1329 1 4 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.808 1.109 18393
1330 1 4 . 1 1 30 30 PHE H H 44 10.048 10.048 8.792 1.256 18393
1331 1 4 . 1 1 31 31 GLY N N 45 105.921 105.921 108.743 -2.822 18393
1332 1 4 . 1 1 31 31 GLY C C 45 172.774 172.774 171.461 1.313 18393
1333 1 4 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.375 0.163 18393
1334 1 4 . 1 1 31 31 GLY H H 45 9.290 9.290 7.790 1.500 18393
1335 1 4 . 1 1 32 32 VAL N N 46 121.311 121.311 121.392 -0.081 18393
1336 1 4 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.757 0.593 18393
1337 1 4 . 1 1 32 32 VAL C C 46 171.140 171.140 174.883 -3.743 18393
1338 1 4 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.683 -0.851 18393
1339 1 4 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.371 2.016 18393
1340 1 4 . 1 1 32 32 VAL H H 46 8.906 8.906 7.789 1.117 18393
1341 1 4 . 1 1 33 33 ARG N N 47 122.102 122.102 119.980 2.122 18393
1342 1 4 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.155 -0.584 18393
1343 1 4 . 1 1 33 33 ARG C C 47 173.683 173.683 174.450 -0.767 18393
1344 1 4 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.619 0.339 18393
1345 1 4 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.920 1.796 18393
1346 1 4 . 1 1 33 33 ARG H H 47 8.008 8.008 7.863 0.145 18393
1347 1 4 . 1 1 34 34 VAL N N 48 117.391 117.391 121.266 -3.875 18393
1348 1 4 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.509 0.278 18393
1349 1 4 . 1 1 34 34 VAL C C 48 172.777 172.777 174.247 -1.470 18393
1350 1 4 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.079 -0.109 18393
1351 1 4 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.683 0.629 18393
1352 1 4 . 1 1 34 34 VAL H H 48 8.103 8.103 9.282 -1.179 18393
1353 1 4 . 1 1 35 35 ASN N N 49 127.065 127.065 122.895 4.170 18393
1354 1 4 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.577 -1.041 18393
1355 1 4 . 1 1 35 35 ASN C C 49 174.221 174.221 174.131 0.090 18393
1356 1 4 . 1 1 35 35 ASN CA C 49 50.607 50.607 52.557 -1.950 18393
1357 1 4 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.750 -3.008 18393
1358 1 4 . 1 1 35 35 ASN H H 49 8.543 8.543 8.521 0.022 18393
1359 1 4 . 1 1 36 36 THR N N 50 114.402 114.402 114.776 -0.374 18393
1360 1 4 . 1 1 36 36 THR HA H 50 2.159 2.159 3.024 -0.865 18393
1361 1 4 . 1 1 36 36 THR C C 50 175.168 175.168 175.749 -0.581 18393
1362 1 4 . 1 1 36 36 THR CA C 50 61.126 61.126 61.562 -0.436 18393
1363 1 4 . 1 1 36 36 THR CB C 50 69.987 69.987 68.988 0.999 18393
1364 1 4 . 1 1 36 36 THR H H 50 6.801 6.801 7.743 -0.942 18393
1365 1 4 . 1 1 37 37 SER N N 51 114.587 114.587 120.958 -6.371 18393
1366 1 4 . 1 1 37 37 SER HA H 51 4.105 4.105 4.088 0.017 18393
1367 1 4 . 1 1 37 37 SER C C 51 174.760 174.760 174.811 -0.051 18393
1368 1 4 . 1 1 37 37 SER CA C 51 59.958 59.958 61.413 -1.454 18393
1369 1 4 . 1 1 37 37 SER CB C 51 63.115 63.115 63.063 0.052 18393
1370 1 4 . 1 1 37 37 SER H H 51 6.797 6.797 8.634 -1.837 18393
1371 1 4 . 1 1 38 38 ASP N N 52 117.329 117.329 118.464 -1.135 18393
1372 1 4 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.651 -0.062 18393
1373 1 4 . 1 1 38 38 ASP C C 52 177.236 177.236 176.373 0.863 18393
1374 1 4 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.395 0.155 18393
1375 1 4 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.945 -0.339 18393
1376 1 4 . 1 1 38 38 ASP H H 52 8.784 8.784 8.230 0.554 18393
1377 1 4 . 1 1 39 39 ARG N N 53 118.330 118.330 118.688 -0.358 18393
1378 1 4 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.560 -0.064 18393
1379 1 4 . 1 1 39 39 ARG C C 53 176.062 176.062 176.458 -0.396 18393
1380 1 4 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.506 -1.456 18393
1381 1 4 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.725 -2.284 18393
1382 1 4 . 1 1 39 39 ARG H H 53 7.666 7.666 7.966 -0.300 18393
1383 1 4 . 1 1 40 40 GLY N N 54 110.510 110.510 106.999 3.511 18393
1384 1 4 . 1 1 40 40 GLY C C 54 177.680 177.680 172.331 5.349 18393
1385 1 4 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.296 0.381 18393
1386 1 4 . 1 1 40 40 GLY H H 54 7.248 7.248 7.860 -0.612 18393
1387 1 4 . 1 1 41 41 TRP N N 55 123.328 123.328 123.592 -0.264 18393
1388 1 4 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.650 0.269 18393
1389 1 4 . 1 1 41 41 TRP C C 55 178.873 178.873 177.251 1.622 18393
1390 1 4 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.744 0.373 18393
1391 1 4 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.579 0.195 18393
1392 1 4 . 1 1 41 41 TRP H H 55 8.289 8.289 8.320 -0.031 18393
1393 1 4 . 1 1 42 42 THR N N 56 114.627 114.627 117.861 -3.234 18393
1394 1 4 . 1 1 42 42 THR HA H 56 4.329 4.329 4.346 -0.017 18393
1395 1 4 . 1 1 42 42 THR C C 56 175.261 175.261 174.843 0.418 18393
1396 1 4 . 1 1 42 42 THR CA C 56 61.698 61.698 61.321 0.377 18393
1397 1 4 . 1 1 42 42 THR CB C 56 72.359 72.359 70.047 2.312 18393
1398 1 4 . 1 1 42 42 THR H H 56 8.972 8.972 8.568 0.404 18393
1399 1 4 . 1 1 43 43 ASP N N 57 120.151 120.151 122.163 -2.012 18393
1400 1 4 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.475 -0.030 18393
1401 1 4 . 1 1 43 43 ASP C C 57 175.710 175.710 176.574 -0.864 18393
1402 1 4 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.255 0.122 18393
1403 1 4 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.237 -0.365 18393
1404 1 4 . 1 1 43 43 ASP H H 57 8.379 8.379 8.418 -0.039 18393
1405 1 4 . 1 1 44 44 GLU N N 58 122.449 122.449 123.988 -1.539 18393
1406 1 4 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.410 0.055 18393
1407 1 4 . 1 1 44 44 GLU C C 58 176.412 176.412 176.804 -0.392 18393
1408 1 4 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.007 -1.536 18393
1409 1 4 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.873 1.185 18393
1410 1 4 . 1 1 44 44 GLU H H 58 8.581 8.581 8.571 0.010 18393
1411 1 4 . 1 1 45 45 CYS N N 59 126.725 126.725 127.902 -1.177 18393
1412 1 4 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.468 0.227 18393
1413 1 4 . 1 1 45 45 CYS C C 59 173.364 173.364 174.167 -0.803 18393
1414 1 4 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.597 1.323 18393
1415 1 4 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.928 3.756 18393
1416 1 4 . 1 1 45 45 CYS H H 59 8.671 8.671 8.863 -0.192 18393
1417 1 4 . 1 1 46 46 ILE N N 60 126.614 126.614 126.641 -0.027 18393
1418 1 4 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.156 0.537 18393
1419 1 4 . 1 1 46 46 ILE C C 60 176.175 176.175 176.755 -0.580 18393
1420 1 4 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.396 0.380 18393
1421 1 4 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.019 1.327 18393
1422 1 4 . 1 1 46 46 ILE H H 60 8.735 8.735 7.884 0.851 18393
1423 1 4 . 1 1 47 47 GLY N N 61 112.366 112.366 116.942 -4.576 18393
1424 1 4 . 1 1 47 47 GLY C C 61 171.844 171.844 173.587 -1.743 18393
1425 1 4 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.233 0.050 18393
1426 1 4 . 1 1 47 47 GLY H H 61 8.610 8.610 8.724 -0.114 18393
1427 1 4 . 1 1 48 48 GLU N N 62 115.030 115.030 120.094 -5.064 18393
1428 1 4 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.696 -0.151 18393
1429 1 4 . 1 1 48 48 GLU C C 62 174.927 174.927 174.947 -0.020 18393
1430 1 4 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.739 0.143 18393
1431 1 4 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.209 0.141 18393
1432 1 4 . 1 1 48 48 GLU H H 62 8.214 8.214 8.315 -0.101 18393
1433 1 4 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.569 0.295 18393
1434 1 4 . 1 1 49 49 PRO C C 63 178.286 178.286 175.931 2.355 18393
1435 1 4 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.168 -0.908 18393
1436 1 4 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.627 -0.360 18393
1437 1 4 . 1 1 50 50 MET N N 64 123.505 123.505 123.949 -0.444 18393
1438 1 4 . 1 1 50 50 MET HA H 64 5.530 5.530 4.949 0.581 18393
1439 1 4 . 1 1 50 50 MET C C 64 176.337 176.337 174.816 1.521 18393
1440 1 4 . 1 1 50 50 MET CA C 64 51.674 51.674 51.619 0.055 18393
1441 1 4 . 1 1 50 50 MET CB C 64 37.597 37.597 33.431 4.166 18393
1442 1 4 . 1 1 50 50 MET H H 64 9.267 9.267 8.931 0.336 18393
1443 1 4 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.376 0.710 18393
1444 1 4 . 1 1 51 51 PRO C C 65 174.862 174.862 175.454 -0.592 18393
1445 1 4 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.070 0.596 18393
1446 1 4 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.601 0.926 18393
1447 1 4 . 1 1 52 52 SER N N 66 109.598 109.598 113.235 -3.637 18393
1448 1 4 . 1 1 52 52 SER HA H 66 4.813 4.813 4.979 -0.166 18393
1449 1 4 . 1 1 52 52 SER C C 66 173.368 173.368 174.503 -1.135 18393
1450 1 4 . 1 1 52 52 SER CA C 66 55.463 55.463 57.036 -1.573 18393
1451 1 4 . 1 1 52 52 SER CB C 66 66.775 66.775 66.837 -0.062 18393
1452 1 4 . 1 1 52 52 SER H H 66 7.165 7.165 7.385 -0.220 18393
1453 1 4 . 1 1 53 53 VAL N N 67 124.347 124.347 123.250 1.097 18393
1454 1 4 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.893 -1.063 18393
1455 1 4 . 1 1 53 53 VAL C C 67 177.116 177.116 176.943 0.173 18393
1456 1 4 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.094 1.735 18393
1457 1 4 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.633 -0.309 18393
1458 1 4 . 1 1 53 53 VAL H H 67 8.522 8.522 8.775 -0.253 18393
1459 1 4 . 1 1 54 54 LYS N N 68 118.639 118.639 120.067 -1.428 18393
1460 1 4 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.054 -0.585 18393
1461 1 4 . 1 1 54 54 LYS C C 68 178.286 178.286 178.515 -0.229 18393
1462 1 4 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.848 0.502 18393
1463 1 4 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.936 0.428 18393
1464 1 4 . 1 1 54 54 LYS H H 68 8.098 8.098 8.576 -0.478 18393
1465 1 4 . 1 1 55 55 LYS N N 69 115.388 115.388 118.531 -3.143 18393
1466 1 4 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.325 -0.231 18393
1467 1 4 . 1 1 55 55 LYS C C 69 179.694 179.694 178.542 1.152 18393
1468 1 4 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.301 0.527 18393
1469 1 4 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.061 0.778 18393
1470 1 4 . 1 1 55 55 LYS H H 69 7.499 7.499 7.585 -0.086 18393
1471 1 4 . 1 1 56 56 ALA N N 70 124.226 124.226 124.907 -0.681 18393
1472 1 4 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.192 -0.043 18393
1473 1 4 . 1 1 56 56 ALA C C 70 181.217 181.217 179.427 1.790 18393
1474 1 4 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.283 0.433 18393
1475 1 4 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.552 1.958 18393
1476 1 4 . 1 1 56 56 ALA H H 70 8.296 8.296 8.098 0.198 18393
1477 1 4 . 1 1 57 57 LYS N N 71 120.522 120.522 118.040 2.482 18393
1478 1 4 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.174 -0.531 18393
1479 1 4 . 1 1 57 57 LYS C C 71 177.937 177.937 178.855 -0.918 18393
1480 1 4 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.192 0.895 18393
1481 1 4 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.007 0.121 18393
1482 1 4 . 1 1 57 57 LYS H H 71 8.385 8.385 7.591 0.794 18393
1483 1 4 . 1 1 58 58 ASP N N 72 119.428 119.428 118.794 0.634 18393
1484 1 4 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.367 -0.061 18393
1485 1 4 . 1 1 58 58 ASP C C 72 177.042 177.042 178.375 -1.333 18393
1486 1 4 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.685 0.455 18393
1487 1 4 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.778 -0.653 18393
1488 1 4 . 1 1 58 58 ASP H H 72 8.029 8.029 7.899 0.130 18393
1489 1 4 . 1 1 59 59 SER N N 73 111.435 111.435 115.388 -3.953 18393
1490 1 4 . 1 1 59 59 SER HA H 73 4.243 4.243 4.180 0.063 18393
1491 1 4 . 1 1 59 59 SER C C 73 177.000 177.000 176.485 0.515 18393
1492 1 4 . 1 1 59 59 SER CA C 73 63.579 63.579 61.390 2.189 18393
1493 1 4 . 1 1 59 59 SER CB C 73 60.947 60.947 63.027 -2.080 18393
1494 1 4 . 1 1 59 59 SER H H 73 7.785 7.785 8.138 -0.353 18393
1495 1 4 . 1 1 60 60 ALA N N 74 120.363 120.363 123.816 -3.453 18393
1496 1 4 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.987 -0.024 18393
1497 1 4 . 1 1 60 60 ALA C C 74 178.170 178.170 179.433 -1.263 18393
1498 1 4 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.069 0.429 18393
1499 1 4 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.348 -0.437 18393
1500 1 4 . 1 1 60 60 ALA H H 74 7.472 7.472 7.820 -0.348 18393
1501 1 4 . 1 1 61 61 ALA N N 75 118.116 118.116 121.395 -3.279 18393
1502 1 4 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.026 -0.078 18393
1503 1 4 . 1 1 61 61 ALA C C 75 179.341 179.341 179.246 0.095 18393
1504 1 4 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.377 0.283 18393
1505 1 4 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.515 0.427 18393
1506 1 4 . 1 1 61 61 ALA H H 75 8.653 8.653 8.767 -0.114 18393
1507 1 4 . 1 1 62 62 VAL N N 76 115.858 115.858 117.410 -1.552 18393
1508 1 4 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.875 -0.219 18393
1509 1 4 . 1 1 62 62 VAL C C 76 178.051 178.051 177.358 0.693 18393
1510 1 4 . 1 1 62 62 VAL CA C 76 66.651 66.651 64.616 2.035 18393
1511 1 4 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.475 0.372 18393
1512 1 4 . 1 1 62 62 VAL H H 76 8.124 8.124 7.820 0.304 18393
1513 1 4 . 1 1 63 63 LEU N N 77 119.881 119.881 118.857 1.024 18393
1514 1 4 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.138 0.051 18393
1515 1 4 . 1 1 63 63 LEU C C 77 179.692 179.692 179.127 0.565 18393
1516 1 4 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.045 0.539 18393
1517 1 4 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.839 0.077 18393
1518 1 4 . 1 1 63 63 LEU H H 77 7.038 7.038 7.317 -0.279 18393
1519 1 4 . 1 1 64 64 LEU N N 78 122.083 122.083 121.763 0.320 18393
1520 1 4 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.122 0.406 18393
1521 1 4 . 1 1 64 64 LEU C C 78 178.601 178.601 178.583 0.018 18393
1522 1 4 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.599 -0.141 18393
1523 1 4 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.031 -0.776 18393
1524 1 4 . 1 1 64 64 LEU H H 78 7.694 7.694 8.148 -0.454 18393
1525 1 4 . 1 1 65 65 LEU N N 79 120.548 120.548 116.989 3.559 18393
1526 1 4 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.106 -0.242 18393
1527 1 4 . 1 1 65 65 LEU C C 79 178.861 178.861 178.152 0.709 18393
1528 1 4 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.319 1.158 18393
1529 1 4 . 1 1 65 65 LEU CB C 79 41.618 41.618 40.853 0.765 18393
1530 1 4 . 1 1 65 65 LEU H H 79 8.671 8.671 8.216 0.455 18393
1531 1 4 . 1 1 66 66 GLU N N 80 117.398 117.398 117.878 -0.480 18393
1532 1 4 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.117 -0.058 18393
1533 1 4 . 1 1 66 66 GLU C C 80 178.957 178.957 178.795 0.162 18393
1534 1 4 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.815 0.521 18393
1535 1 4 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.604 -0.223 18393
1536 1 4 . 1 1 66 66 GLU H H 80 7.613 7.613 7.506 0.107 18393
1537 1 4 . 1 1 67 67 LEU N N 81 120.633 120.633 120.485 0.148 18393
1538 1 4 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.257 -0.097 18393
1539 1 4 . 1 1 67 67 LEU C C 81 180.162 180.162 178.387 1.775 18393
1540 1 4 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.149 0.964 18393
1541 1 4 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.224 -0.167 18393
1542 1 4 . 1 1 67 67 LEU H H 81 7.656 7.656 7.381 0.275 18393
1543 1 4 . 1 1 68 68 LEU N N 82 118.949 118.949 115.836 3.113 18393
1544 1 4 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.361 -0.198 18393
1545 1 4 . 1 1 68 68 LEU C C 82 178.289 178.289 177.019 1.270 18393
1546 1 4 . 1 1 68 68 LEU CA C 82 57.855 57.855 55.855 2.000 18393
1547 1 4 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.234 0.784 18393
1548 1 4 . 1 1 68 68 LEU H H 82 8.583 8.583 7.843 0.740 18393
1549 1 4 . 1 1 69 69 ASN N N 83 116.570 116.570 115.880 0.690 18393
1550 1 4 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.773 -0.044 18393
1551 1 4 . 1 1 69 69 ASN C C 83 174.784 174.784 175.123 -0.339 18393
1552 1 4 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.584 0.154 18393
1553 1 4 . 1 1 69 69 ASN CB C 83 39.148 39.148 40.704 -1.556 18393
1554 1 4 . 1 1 69 69 ASN H H 83 7.920 7.920 7.727 0.193 18393
1555 1 4 . 1 1 70 70 LYS N N 84 120.363 120.363 118.896 1.467 18393
1556 1 4 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.696 -0.292 18393
1557 1 4 . 1 1 70 70 LYS C C 84 175.910 175.910 174.282 1.628 18393
1558 1 4 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.841 0.995 18393
1559 1 4 . 1 1 70 70 LYS CB C 84 32.999 32.999 36.901 -3.902 18393
1560 1 4 . 1 1 70 70 LYS H H 84 7.593 7.593 8.041 -0.448 18393
1561 1 5 . 1 1 2 2 ASP N N 16 119.381 119.381 121.894 -2.513 18393
1562 1 5 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.609 -0.269 18393
1563 1 5 . 1 1 2 2 ASP C C 16 178.935 178.935 178.275 0.660 18393
1564 1 5 . 1 1 2 2 ASP CA C 16 57.708 57.708 56.211 1.497 18393
1565 1 5 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.123 0.558 18393
1566 1 5 . 1 1 2 2 ASP H H 16 8.320 8.320 8.732 -0.412 18393
1567 1 5 . 1 1 3 3 ILE N N 17 121.475 121.475 120.561 0.914 18393
1568 1 5 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.809 -0.263 18393
1569 1 5 . 1 1 3 3 ILE C C 17 177.116 177.116 177.939 -0.823 18393
1570 1 5 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.020 1.213 18393
1571 1 5 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.623 0.078 18393
1572 1 5 . 1 1 3 3 ILE H H 17 7.793 7.793 8.260 -0.467 18393
1573 1 5 . 1 1 4 4 CYS N N 18 117.506 117.506 117.832 -0.326 18393
1574 1 5 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.303 -0.361 18393
1575 1 5 . 1 1 4 4 CYS C C 18 176.671 176.671 176.961 -0.290 18393
1576 1 5 . 1 1 4 4 CYS CA C 18 64.624 64.624 63.616 1.008 18393
1577 1 5 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.132 -1.167 18393
1578 1 5 . 1 1 4 4 CYS H H 18 7.823 7.823 8.005 -0.182 18393
1579 1 5 . 1 1 5 5 LEU N N 19 118.832 118.832 122.421 -3.589 18393
1580 1 5 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.200 -0.104 18393
1581 1 5 . 1 1 5 5 LEU C C 19 180.698 180.698 179.507 1.191 18393
1582 1 5 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.814 0.123 18393
1583 1 5 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.929 0.137 18393
1584 1 5 . 1 1 5 5 LEU H H 19 8.101 8.101 8.414 -0.313 18393
1585 1 5 . 1 1 6 6 ARG N N 20 119.443 119.443 120.020 -0.577 18393
1586 1 5 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.993 -0.059 18393
1587 1 5 . 1 1 6 6 ARG C C 20 178.169 178.169 177.659 0.510 18393
1588 1 5 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.606 0.269 18393
1589 1 5 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.196 -0.216 18393
1590 1 5 . 1 1 6 6 ARG H H 20 7.934 7.934 8.049 -0.115 18393
1591 1 5 . 1 1 7 7 LYS N N 21 116.636 116.636 116.154 0.482 18393
1592 1 5 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.917 -0.144 18393
1593 1 5 . 1 1 7 7 LYS C C 21 175.224 175.224 175.421 -0.197 18393
1594 1 5 . 1 1 7 7 LYS CA C 21 55.078 55.078 54.993 0.085 18393
1595 1 5 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.570 -0.053 18393
1596 1 5 . 1 1 7 7 LYS H H 21 7.553 7.553 7.445 0.108 18393
1597 1 5 . 1 1 8 8 ASN N N 22 114.898 114.898 114.945 -0.047 18393
1598 1 5 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.420 -0.118 18393
1599 1 5 . 1 1 8 8 ASN C C 22 174.073 174.073 174.383 -0.310 18393
1600 1 5 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.108 0.325 18393
1601 1 5 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.452 -0.435 18393
1602 1 5 . 1 1 8 8 ASN H H 22 7.640 7.640 7.453 0.187 18393
1603 1 5 . 1 1 9 9 TRP N N 23 120.563 120.563 119.081 1.482 18393
1604 1 5 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.127 0.114 18393
1605 1 5 . 1 1 9 9 TRP C C 23 173.601 173.601 174.862 -1.261 18393
1606 1 5 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.184 -2.364 18393
1607 1 5 . 1 1 9 9 TRP CB C 23 29.574 29.574 29.100 0.474 18393
1608 1 5 . 1 1 9 9 TRP H H 23 8.692 8.692 8.273 0.419 18393
1609 1 5 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.452 0.007 18393
1610 1 5 . 1 1 10 10 PRO C C 24 175.391 175.391 176.381 -0.990 18393
1611 1 5 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.365 -0.267 18393
1612 1 5 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.608 -1.026 18393
1613 1 5 . 1 1 11 11 MET N N 25 116.562 116.562 117.418 -0.856 18393
1614 1 5 . 1 1 11 11 MET HA H 25 4.751 4.751 4.740 0.011 18393
1615 1 5 . 1 1 11 11 MET C C 25 175.240 175.240 174.985 0.255 18393
1616 1 5 . 1 1 11 11 MET CA C 25 53.800 53.800 52.916 0.884 18393
1617 1 5 . 1 1 11 11 MET CB C 25 30.695 30.695 30.744 -0.049 18393
1618 1 5 . 1 1 11 11 MET H H 25 8.201 8.201 8.497 -0.296 18393
1619 1 5 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.906 -0.582 18393
1620 1 5 . 1 1 12 12 PRO C C 26 174.890 174.890 175.859 -0.969 18393
1621 1 5 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.331 1.150 18393
1622 1 5 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.969 -0.244 18393
1623 1 5 . 1 1 13 13 SER N N 27 116.608 116.608 115.915 0.693 18393
1624 1 5 . 1 1 13 13 SER HA H 27 4.781 4.781 4.645 0.136 18393
1625 1 5 . 1 1 13 13 SER C C 27 173.365 173.365 173.517 -0.152 18393
1626 1 5 . 1 1 13 13 SER CA C 27 57.219 57.219 58.508 -1.289 18393
1627 1 5 . 1 1 13 13 SER CB C 27 64.227 64.227 63.999 0.228 18393
1628 1 5 . 1 1 13 13 SER H H 27 8.555 8.555 8.759 -0.204 18393
1629 1 5 . 1 1 14 14 TYR N N 28 125.256 125.256 122.889 2.367 18393
1630 1 5 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.088 0.533 18393
1631 1 5 . 1 1 14 14 TYR C C 28 176.175 176.175 174.658 1.517 18393
1632 1 5 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.928 -0.366 18393
1633 1 5 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.956 0.905 18393
1634 1 5 . 1 1 14 14 TYR H H 28 8.939 8.939 8.575 0.364 18393
1635 1 5 . 1 1 15 15 ARG N N 29 120.540 120.540 125.448 -4.908 18393
1636 1 5 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.621 -0.079 18393
1637 1 5 . 1 1 15 15 ARG C C 29 173.134 173.134 174.652 -1.518 18393
1638 1 5 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.406 -0.586 18393
1639 1 5 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.369 0.352 18393
1640 1 5 . 1 1 15 15 ARG H H 29 9.159 9.159 9.185 -0.026 18393
1641 1 5 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.542 -1.645 18393
1642 1 5 . 1 1 16 16 CYS C C 30 174.180 174.180 175.946 -1.766 18393
1643 1 5 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.213 -1.494 18393
1644 1 5 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.053 -1.947 18393
1645 1 5 . 1 1 17 17 VAL N N 31 132.259 132.259 123.312 8.947 18393
1646 1 5 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.184 -0.533 18393
1647 1 5 . 1 1 17 17 VAL C C 31 175.711 175.711 175.359 0.352 18393
1648 1 5 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.657 0.429 18393
1649 1 5 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.508 0.004 18393
1650 1 5 . 1 1 17 17 VAL H H 31 8.659 8.659 8.572 0.087 18393
1651 1 5 . 1 1 18 18 LYS N N 32 118.630 118.630 121.824 -3.194 18393
1652 1 5 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.574 -0.214 18393
1653 1 5 . 1 1 18 18 LYS C C 32 173.015 173.015 174.313 -1.298 18393
1654 1 5 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.896 0.506 18393
1655 1 5 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.672 1.332 18393
1656 1 5 . 1 1 18 18 LYS H H 32 7.673 7.673 8.237 -0.564 18393
1657 1 5 . 1 1 19 19 GLU N N 33 125.800 125.800 126.796 -0.996 18393
1658 1 5 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.630 0.223 18393
1659 1 5 . 1 1 19 19 GLU C C 33 175.060 175.060 175.831 -0.771 18393
1660 1 5 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.356 -1.792 18393
1661 1 5 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.767 -0.630 18393
1662 1 5 . 1 1 19 19 GLU H H 33 8.431 8.431 8.783 -0.352 18393
1663 1 5 . 1 1 20 20 GLY N N 34 111.079 111.079 114.590 -3.511 18393
1664 1 5 . 1 1 20 20 GLY C C 34 172.318 172.318 173.972 -1.654 18393
1665 1 5 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.733 -1.092 18393
1666 1 5 . 1 1 20 20 GLY H H 34 8.345 8.345 8.658 -0.313 18393
1667 1 5 . 1 1 21 21 GLY N N 35 107.395 107.395 109.271 -1.876 18393
1668 1 5 . 1 1 21 21 GLY C C 35 171.757 171.757 172.553 -0.796 18393
1669 1 5 . 1 1 21 21 GLY CA C 35 43.737 43.737 43.694 0.043 18393
1670 1 5 . 1 1 21 21 GLY H H 35 8.184 8.184 8.093 0.091 18393
1671 1 5 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.300 0.176 18393
1672 1 5 . 1 1 22 22 PRO C C 36 177.171 177.171 176.043 1.128 18393
1673 1 5 . 1 1 22 22 PRO CA C 36 62.263 62.263 63.531 -1.268 18393
1674 1 5 . 1 1 22 22 PRO CB C 36 32.261 32.261 29.260 3.001 18393
1675 1 5 . 1 1 23 23 ALA N N 37 120.595 120.595 126.092 -5.497 18393
1676 1 5 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.838 -0.015 18393
1677 1 5 . 1 1 23 23 ALA C C 37 178.547 178.547 177.802 0.745 18393
1678 1 5 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.691 0.802 18393
1679 1 5 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.127 1.424 18393
1680 1 5 . 1 1 23 23 ALA H H 37 8.580 8.580 8.660 -0.080 18393
1681 1 5 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.419 0.196 18393
1682 1 5 . 1 1 24 24 HIS C C 38 174.890 174.890 174.056 0.834 18393
1683 1 5 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.795 -0.934 18393
1684 1 5 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.336 1.024 18393
1685 1 5 . 1 1 25 25 ALA N N 39 128.271 128.271 120.637 7.634 18393
1686 1 5 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.475 -0.001 18393
1687 1 5 . 1 1 25 25 ALA C C 39 174.351 174.351 177.100 -2.749 18393
1688 1 5 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.283 0.033 18393
1689 1 5 . 1 1 25 25 ALA CB C 39 18.111 18.111 18.985 -0.874 18393
1690 1 5 . 1 1 25 25 ALA H H 39 7.697 7.697 7.867 -0.170 18393
1691 1 5 . 1 1 26 26 LYS N N 40 121.927 121.927 119.903 2.024 18393
1692 1 5 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.564 -0.446 18393
1693 1 5 . 1 1 26 26 LYS C C 40 177.551 177.551 174.821 2.730 18393
1694 1 5 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.886 1.258 18393
1695 1 5 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.621 0.451 18393
1696 1 5 . 1 1 26 26 LYS H H 40 7.990 7.990 7.691 0.299 18393
1697 1 5 . 1 1 27 27 ARG N N 41 119.572 119.572 118.669 0.903 18393
1698 1 5 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.219 0.419 18393
1699 1 5 . 1 1 27 27 ARG C C 41 174.770 174.770 175.694 -0.924 18393
1700 1 5 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.297 -1.819 18393
1701 1 5 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.544 2.846 18393
1702 1 5 . 1 1 27 27 ARG H H 41 8.296 8.296 7.387 0.909 18393
1703 1 5 . 1 1 28 28 PHE N N 42 120.381 120.381 124.032 -3.651 18393
1704 1 5 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.214 -0.167 18393
1705 1 5 . 1 1 28 28 PHE C C 42 174.407 174.407 175.586 -1.179 18393
1706 1 5 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.721 2.305 18393
1707 1 5 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.508 2.621 18393
1708 1 5 . 1 1 28 28 PHE H H 42 9.339 9.339 8.863 0.476 18393
1709 1 5 . 1 1 29 29 THR N N 43 117.999 117.999 118.658 -0.659 18393
1710 1 5 . 1 1 29 29 THR HA H 43 4.704 4.704 4.818 -0.114 18393
1711 1 5 . 1 1 29 29 THR C C 43 173.713 173.713 173.088 0.625 18393
1712 1 5 . 1 1 29 29 THR CA C 43 62.117 62.117 61.828 0.289 18393
1713 1 5 . 1 1 29 29 THR CB C 43 70.104 70.104 71.059 -0.955 18393
1714 1 5 . 1 1 29 29 THR H H 43 8.949 8.949 9.177 -0.228 18393
1715 1 5 . 1 1 30 30 PHE N N 44 129.592 129.592 126.107 3.485 18393
1716 1 5 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.980 0.415 18393
1717 1 5 . 1 1 30 30 PHE C C 44 173.221 173.221 172.780 0.441 18393
1718 1 5 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.251 0.172 18393
1719 1 5 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.742 1.175 18393
1720 1 5 . 1 1 30 30 PHE H H 44 10.048 10.048 8.759 1.289 18393
1721 1 5 . 1 1 31 31 GLY N N 45 105.921 105.921 109.041 -3.120 18393
1722 1 5 . 1 1 31 31 GLY C C 45 172.774 172.774 171.879 0.895 18393
1723 1 5 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.334 0.204 18393
1724 1 5 . 1 1 31 31 GLY H H 45 9.290 9.290 7.882 1.408 18393
1725 1 5 . 1 1 32 32 VAL N N 46 121.311 121.311 120.662 0.649 18393
1726 1 5 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.655 0.695 18393
1727 1 5 . 1 1 32 32 VAL C C 46 171.140 171.140 174.886 -3.746 18393
1728 1 5 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.443 -0.611 18393
1729 1 5 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.060 2.327 18393
1730 1 5 . 1 1 32 32 VAL H H 46 8.906 8.906 7.880 1.026 18393
1731 1 5 . 1 1 33 33 ARG N N 47 122.102 122.102 122.455 -0.353 18393
1732 1 5 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.009 -0.438 18393
1733 1 5 . 1 1 33 33 ARG C C 47 173.683 173.683 174.778 -1.095 18393
1734 1 5 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.820 0.138 18393
1735 1 5 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.398 1.317 18393
1736 1 5 . 1 1 33 33 ARG H H 47 8.008 8.008 7.886 0.122 18393
1737 1 5 . 1 1 34 34 VAL N N 48 117.391 117.391 121.851 -4.460 18393
1738 1 5 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.468 0.319 18393
1739 1 5 . 1 1 34 34 VAL C C 48 172.777 172.777 172.918 -0.141 18393
1740 1 5 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.370 -0.400 18393
1741 1 5 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.312 -0.000 18393
1742 1 5 . 1 1 34 34 VAL H H 48 8.103 8.103 9.177 -1.074 18393
1743 1 5 . 1 1 35 35 ASN N N 49 127.065 127.065 121.303 5.762 18393
1744 1 5 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.364 -0.828 18393
1745 1 5 . 1 1 35 35 ASN C C 49 174.221 174.221 174.348 -0.127 18393
1746 1 5 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.036 -0.429 18393
1747 1 5 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.319 -2.577 18393
1748 1 5 . 1 1 35 35 ASN H H 49 8.543 8.543 8.437 0.106 18393
1749 1 5 . 1 1 36 36 THR N N 50 114.402 114.402 116.229 -1.827 18393
1750 1 5 . 1 1 36 36 THR HA H 50 2.159 2.159 2.973 -0.814 18393
1751 1 5 . 1 1 36 36 THR C C 50 175.168 175.168 175.581 -0.413 18393
1752 1 5 . 1 1 36 36 THR CA C 50 61.126 61.126 61.785 -0.659 18393
1753 1 5 . 1 1 36 36 THR CB C 50 69.987 69.987 68.722 1.265 18393
1754 1 5 . 1 1 36 36 THR H H 50 6.801 6.801 7.848 -1.047 18393
1755 1 5 . 1 1 37 37 SER N N 51 114.587 114.587 120.105 -5.518 18393
1756 1 5 . 1 1 37 37 SER HA H 51 4.105 4.105 4.056 0.049 18393
1757 1 5 . 1 1 37 37 SER C C 51 174.760 174.760 174.730 0.030 18393
1758 1 5 . 1 1 37 37 SER CA C 51 59.958 59.958 61.350 -1.392 18393
1759 1 5 . 1 1 37 37 SER CB C 51 63.115 63.115 63.206 -0.091 18393
1760 1 5 . 1 1 37 37 SER H H 51 6.797 6.797 8.738 -1.941 18393
1761 1 5 . 1 1 38 38 ASP N N 52 117.329 117.329 117.195 0.134 18393
1762 1 5 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.616 -0.027 18393
1763 1 5 . 1 1 38 38 ASP C C 52 177.236 177.236 176.684 0.552 18393
1764 1 5 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.927 -0.377 18393
1765 1 5 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.758 -0.152 18393
1766 1 5 . 1 1 38 38 ASP H H 52 8.784 8.784 8.404 0.380 18393
1767 1 5 . 1 1 39 39 ARG N N 53 118.330 118.330 118.181 0.149 18393
1768 1 5 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.577 -0.081 18393
1769 1 5 . 1 1 39 39 ARG C C 53 176.062 176.062 176.445 -0.383 18393
1770 1 5 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.457 -1.407 18393
1771 1 5 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.787 -2.346 18393
1772 1 5 . 1 1 39 39 ARG H H 53 7.666 7.666 8.080 -0.414 18393
1773 1 5 . 1 1 40 40 GLY N N 54 110.510 110.510 107.104 3.406 18393
1774 1 5 . 1 1 40 40 GLY C C 54 177.680 177.680 172.774 4.906 18393
1775 1 5 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.279 0.398 18393
1776 1 5 . 1 1 40 40 GLY H H 54 7.248 7.248 7.867 -0.619 18393
1777 1 5 . 1 1 41 41 TRP N N 55 123.328 123.328 123.276 0.052 18393
1778 1 5 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.870 0.049 18393
1779 1 5 . 1 1 41 41 TRP C C 55 178.873 178.873 177.687 1.186 18393
1780 1 5 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.569 0.548 18393
1781 1 5 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.397 0.377 18393
1782 1 5 . 1 1 41 41 TRP H H 55 8.289 8.289 8.309 -0.020 18393
1783 1 5 . 1 1 42 42 THR N N 56 114.627 114.627 116.396 -1.769 18393
1784 1 5 . 1 1 42 42 THR HA H 56 4.329 4.329 4.258 0.071 18393
1785 1 5 . 1 1 42 42 THR C C 56 175.261 175.261 174.375 0.886 18393
1786 1 5 . 1 1 42 42 THR CA C 56 61.698 61.698 61.690 0.008 18393
1787 1 5 . 1 1 42 42 THR CB C 56 72.359 72.359 70.068 2.291 18393
1788 1 5 . 1 1 42 42 THR H H 56 8.972 8.972 8.676 0.296 18393
1789 1 5 . 1 1 43 43 ASP N N 57 120.151 120.151 120.538 -0.387 18393
1790 1 5 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.563 -0.118 18393
1791 1 5 . 1 1 43 43 ASP C C 57 175.710 175.710 176.035 -0.325 18393
1792 1 5 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.925 0.452 18393
1793 1 5 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.323 -0.451 18393
1794 1 5 . 1 1 43 43 ASP H H 57 8.379 8.379 8.471 -0.092 18393
1795 1 5 . 1 1 44 44 GLU N N 58 122.449 122.449 124.054 -1.605 18393
1796 1 5 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.468 -0.003 18393
1797 1 5 . 1 1 44 44 GLU C C 58 176.412 176.412 176.624 -0.212 18393
1798 1 5 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.734 -1.263 18393
1799 1 5 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.871 1.187 18393
1800 1 5 . 1 1 44 44 GLU H H 58 8.581 8.581 8.634 -0.053 18393
1801 1 5 . 1 1 45 45 CYS N N 59 126.725 126.725 126.913 -0.188 18393
1802 1 5 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.488 0.207 18393
1803 1 5 . 1 1 45 45 CYS C C 59 173.364 173.364 173.891 -0.527 18393
1804 1 5 . 1 1 45 45 CYS CA C 59 58.920 58.920 58.127 0.793 18393
1805 1 5 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.762 3.922 18393
1806 1 5 . 1 1 45 45 CYS H H 59 8.671 8.671 8.807 -0.136 18393
1807 1 5 . 1 1 46 46 ILE N N 60 126.614 126.614 126.801 -0.187 18393
1808 1 5 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.283 0.410 18393
1809 1 5 . 1 1 46 46 ILE C C 60 176.175 176.175 176.686 -0.511 18393
1810 1 5 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.197 0.579 18393
1811 1 5 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.211 1.135 18393
1812 1 5 . 1 1 46 46 ILE H H 60 8.735 8.735 7.916 0.819 18393
1813 1 5 . 1 1 47 47 GLY N N 61 112.366 112.366 116.680 -4.314 18393
1814 1 5 . 1 1 47 47 GLY C C 61 171.844 171.844 173.667 -1.823 18393
1815 1 5 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.104 0.179 18393
1816 1 5 . 1 1 47 47 GLY H H 61 8.610 8.610 8.721 -0.111 18393
1817 1 5 . 1 1 48 48 GLU N N 62 115.030 115.030 120.048 -5.018 18393
1818 1 5 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.601 -0.056 18393
1819 1 5 . 1 1 48 48 GLU C C 62 174.927 174.927 174.707 0.220 18393
1820 1 5 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.352 -0.471 18393
1821 1 5 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.911 0.438 18393
1822 1 5 . 1 1 48 48 GLU H H 62 8.214 8.214 8.198 0.016 18393
1823 1 5 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.501 0.363 18393
1824 1 5 . 1 1 49 49 PRO C C 63 178.286 178.286 176.137 2.149 18393
1825 1 5 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.595 -1.335 18393
1826 1 5 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.712 -0.445 18393
1827 1 5 . 1 1 50 50 MET N N 64 123.505 123.505 125.010 -1.505 18393
1828 1 5 . 1 1 50 50 MET HA H 64 5.530 5.530 4.919 0.611 18393
1829 1 5 . 1 1 50 50 MET C C 64 176.337 176.337 174.954 1.383 18393
1830 1 5 . 1 1 50 50 MET CA C 64 51.674 51.674 51.443 0.231 18393
1831 1 5 . 1 1 50 50 MET CB C 64 37.597 37.597 33.864 3.733 18393
1832 1 5 . 1 1 50 50 MET H H 64 9.267 9.267 8.753 0.514 18393
1833 1 5 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.176 0.910 18393
1834 1 5 . 1 1 51 51 PRO C C 65 174.862 174.862 175.943 -1.081 18393
1835 1 5 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.769 0.897 18393
1836 1 5 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.310 1.217 18393
1837 1 5 . 1 1 52 52 SER N N 66 109.598 109.598 111.953 -2.355 18393
1838 1 5 . 1 1 52 52 SER HA H 66 4.813 4.813 4.900 -0.087 18393
1839 1 5 . 1 1 52 52 SER C C 66 173.368 173.368 174.563 -1.195 18393
1840 1 5 . 1 1 52 52 SER CA C 66 55.463 55.463 56.589 -1.126 18393
1841 1 5 . 1 1 52 52 SER CB C 66 66.775 66.775 66.001 0.774 18393
1842 1 5 . 1 1 52 52 SER H H 66 7.165 7.165 7.259 -0.094 18393
1843 1 5 . 1 1 53 53 VAL N N 67 124.347 124.347 123.598 0.749 18393
1844 1 5 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.067 -1.237 18393
1845 1 5 . 1 1 53 53 VAL C C 67 177.116 177.116 176.716 0.400 18393
1846 1 5 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.594 2.235 18393
1847 1 5 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.781 -0.457 18393
1848 1 5 . 1 1 53 53 VAL H H 67 8.522 8.522 8.925 -0.403 18393
1849 1 5 . 1 1 54 54 LYS N N 68 118.639 118.639 120.600 -1.961 18393
1850 1 5 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.956 -0.487 18393
1851 1 5 . 1 1 54 54 LYS C C 68 178.286 178.286 178.167 0.119 18393
1852 1 5 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.944 0.406 18393
1853 1 5 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.436 -0.072 18393
1854 1 5 . 1 1 54 54 LYS H H 68 8.098 8.098 7.710 0.388 18393
1855 1 5 . 1 1 55 55 LYS N N 69 115.388 115.388 116.639 -1.251 18393
1856 1 5 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.349 -0.255 18393
1857 1 5 . 1 1 55 55 LYS C C 69 179.694 179.694 178.765 0.929 18393
1858 1 5 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.361 0.467 18393
1859 1 5 . 1 1 55 55 LYS CB C 69 32.839 32.839 31.991 0.848 18393
1860 1 5 . 1 1 55 55 LYS H H 69 7.499 7.499 7.739 -0.240 18393
1861 1 5 . 1 1 56 56 ALA N N 70 124.226 124.226 124.710 -0.484 18393
1862 1 5 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.213 -0.064 18393
1863 1 5 . 1 1 56 56 ALA C C 70 181.217 181.217 179.454 1.763 18393
1864 1 5 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.281 0.435 18393
1865 1 5 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.541 1.968 18393
1866 1 5 . 1 1 56 56 ALA H H 70 8.296 8.296 8.012 0.284 18393
1867 1 5 . 1 1 57 57 LYS N N 71 120.522 120.522 118.468 2.054 18393
1868 1 5 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.026 -0.383 18393
1869 1 5 . 1 1 57 57 LYS C C 71 177.937 177.937 179.033 -1.096 18393
1870 1 5 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.324 0.763 18393
1871 1 5 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.021 0.107 18393
1872 1 5 . 1 1 57 57 LYS H H 71 8.385 8.385 7.527 0.858 18393
1873 1 5 . 1 1 58 58 ASP N N 72 119.428 119.428 119.957 -0.529 18393
1874 1 5 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.468 -0.162 18393
1875 1 5 . 1 1 58 58 ASP C C 72 177.042 177.042 178.808 -1.766 18393
1876 1 5 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.672 0.467 18393
1877 1 5 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.586 -0.461 18393
1878 1 5 . 1 1 58 58 ASP H H 72 8.029 8.029 7.863 0.166 18393
1879 1 5 . 1 1 59 59 SER N N 73 111.435 111.435 115.721 -4.286 18393
1880 1 5 . 1 1 59 59 SER HA H 73 4.243 4.243 4.118 0.125 18393
1881 1 5 . 1 1 59 59 SER C C 73 177.000 177.000 176.357 0.643 18393
1882 1 5 . 1 1 59 59 SER CA C 73 63.579 63.579 61.657 1.922 18393
1883 1 5 . 1 1 59 59 SER CB C 73 60.947 60.947 63.229 -2.282 18393
1884 1 5 . 1 1 59 59 SER H H 73 7.785 7.785 8.217 -0.432 18393
1885 1 5 . 1 1 60 60 ALA N N 74 120.363 120.363 123.460 -3.097 18393
1886 1 5 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.995 -0.032 18393
1887 1 5 . 1 1 60 60 ALA C C 74 178.170 178.170 179.376 -1.206 18393
1888 1 5 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.936 0.562 18393
1889 1 5 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.310 -0.399 18393
1890 1 5 . 1 1 60 60 ALA H H 74 7.472 7.472 7.692 -0.220 18393
1891 1 5 . 1 1 61 61 ALA N N 75 118.116 118.116 121.821 -3.705 18393
1892 1 5 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.068 -0.120 18393
1893 1 5 . 1 1 61 61 ALA C C 75 179.341 179.341 179.748 -0.407 18393
1894 1 5 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.202 0.458 18393
1895 1 5 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.442 0.500 18393
1896 1 5 . 1 1 61 61 ALA H H 75 8.653 8.653 8.535 0.118 18393
1897 1 5 . 1 1 62 62 VAL N N 76 115.858 115.858 117.848 -1.990 18393
1898 1 5 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.659 -0.003 18393
1899 1 5 . 1 1 62 62 VAL C C 76 178.051 178.051 177.898 0.153 18393
1900 1 5 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.427 0.224 18393
1901 1 5 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.695 0.152 18393
1902 1 5 . 1 1 62 62 VAL H H 76 8.124 8.124 8.021 0.103 18393
1903 1 5 . 1 1 63 63 LEU N N 77 119.881 119.881 118.235 1.646 18393
1904 1 5 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.428 -0.239 18393
1905 1 5 . 1 1 63 63 LEU C C 77 179.692 179.692 179.492 0.200 18393
1906 1 5 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.568 1.016 18393
1907 1 5 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.557 0.359 18393
1908 1 5 . 1 1 63 63 LEU H H 77 7.038 7.038 7.330 -0.292 18393
1909 1 5 . 1 1 64 64 LEU N N 78 122.083 122.083 122.111 -0.028 18393
1910 1 5 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.151 0.377 18393
1911 1 5 . 1 1 64 64 LEU C C 78 178.601 178.601 178.469 0.132 18393
1912 1 5 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.715 -0.257 18393
1913 1 5 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.231 -0.977 18393
1914 1 5 . 1 1 64 64 LEU H H 78 7.694 7.694 8.321 -0.627 18393
1915 1 5 . 1 1 65 65 LEU N N 79 120.548 120.548 119.296 1.252 18393
1916 1 5 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.156 -0.292 18393
1917 1 5 . 1 1 65 65 LEU C C 79 178.861 178.861 178.901 -0.040 18393
1918 1 5 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.788 0.689 18393
1919 1 5 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.184 0.434 18393
1920 1 5 . 1 1 65 65 LEU H H 79 8.671 8.671 8.340 0.331 18393
1921 1 5 . 1 1 66 66 GLU N N 80 117.398 117.398 118.438 -1.040 18393
1922 1 5 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.166 -0.107 18393
1923 1 5 . 1 1 66 66 GLU C C 80 178.957 178.957 179.249 -0.292 18393
1924 1 5 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.201 1.135 18393
1925 1 5 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.461 -0.080 18393
1926 1 5 . 1 1 66 66 GLU H H 80 7.613 7.613 7.772 -0.159 18393
1927 1 5 . 1 1 67 67 LEU N N 81 120.633 120.633 122.544 -1.911 18393
1928 1 5 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.082 0.078 18393
1929 1 5 . 1 1 67 67 LEU C C 81 180.162 180.162 178.848 1.314 18393
1930 1 5 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.696 0.417 18393
1931 1 5 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.337 -0.280 18393
1932 1 5 . 1 1 67 67 LEU H H 81 7.656 7.656 7.370 0.286 18393
1933 1 5 . 1 1 68 68 LEU N N 82 118.949 118.949 116.832 2.117 18393
1934 1 5 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.278 -0.115 18393
1935 1 5 . 1 1 68 68 LEU C C 82 178.289 178.289 177.935 0.354 18393
1936 1 5 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.567 1.288 18393
1937 1 5 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.977 1.041 18393
1938 1 5 . 1 1 68 68 LEU H H 82 8.583 8.583 8.205 0.378 18393
1939 1 5 . 1 1 69 69 ASN N N 83 116.570 116.570 116.640 -0.070 18393
1940 1 5 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.709 0.020 18393
1941 1 5 . 1 1 69 69 ASN C C 83 174.784 174.784 175.496 -0.712 18393
1942 1 5 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.125 -0.386 18393
1943 1 5 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.443 -0.295 18393
1944 1 5 . 1 1 69 69 ASN H H 83 7.920 7.920 7.875 0.045 18393
1945 1 5 . 1 1 70 70 LYS N N 84 120.363 120.363 120.640 -0.277 18393
1946 1 5 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.565 -0.161 18393
1947 1 5 . 1 1 70 70 LYS C C 84 175.910 175.910 175.360 0.550 18393
1948 1 5 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.649 1.187 18393
1949 1 5 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.619 0.380 18393
1950 1 5 . 1 1 70 70 LYS H H 84 7.593 7.593 7.637 -0.044 18393
1951 1 6 . 1 1 2 2 ASP N N 16 119.381 119.381 122.021 -2.640 18393
1952 1 6 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.520 -0.180 18393
1953 1 6 . 1 1 2 2 ASP C C 16 178.935 178.935 178.374 0.561 18393
1954 1 6 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.463 0.245 18393
1955 1 6 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.571 0.110 18393
1956 1 6 . 1 1 2 2 ASP H H 16 8.320 8.320 8.591 -0.271 18393
1957 1 6 . 1 1 3 3 ILE N N 17 121.475 121.475 119.024 2.451 18393
1958 1 6 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.845 -0.299 18393
1959 1 6 . 1 1 3 3 ILE C C 17 177.116 177.116 177.749 -0.633 18393
1960 1 6 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.589 0.644 18393
1961 1 6 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.677 0.024 18393
1962 1 6 . 1 1 3 3 ILE H H 17 7.793 7.793 8.135 -0.342 18393
1963 1 6 . 1 1 4 4 CYS N N 18 117.506 117.506 118.532 -1.026 18393
1964 1 6 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.375 -0.433 18393
1965 1 6 . 1 1 4 4 CYS C C 18 176.671 176.671 176.675 -0.004 18393
1966 1 6 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.964 2.660 18393
1967 1 6 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.156 -1.191 18393
1968 1 6 . 1 1 4 4 CYS H H 18 7.823 7.823 7.820 0.003 18393
1969 1 6 . 1 1 5 5 LEU N N 19 118.832 118.832 122.380 -3.548 18393
1970 1 6 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.072 0.024 18393
1971 1 6 . 1 1 5 5 LEU C C 19 180.698 180.698 179.604 1.094 18393
1972 1 6 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.786 0.151 18393
1973 1 6 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.951 0.115 18393
1974 1 6 . 1 1 5 5 LEU H H 19 8.101 8.101 8.501 -0.400 18393
1975 1 6 . 1 1 6 6 ARG N N 20 119.443 119.443 120.154 -0.711 18393
1976 1 6 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.979 -0.045 18393
1977 1 6 . 1 1 6 6 ARG C C 20 178.169 178.169 177.630 0.539 18393
1978 1 6 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.764 0.111 18393
1979 1 6 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.099 -0.119 18393
1980 1 6 . 1 1 6 6 ARG H H 20 7.934 7.934 8.404 -0.470 18393
1981 1 6 . 1 1 7 7 LYS N N 21 116.636 116.636 116.167 0.469 18393
1982 1 6 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.831 -0.058 18393
1983 1 6 . 1 1 7 7 LYS C C 21 175.224 175.224 175.584 -0.360 18393
1984 1 6 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.519 -0.441 18393
1985 1 6 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.689 -0.173 18393
1986 1 6 . 1 1 7 7 LYS H H 21 7.553 7.553 7.295 0.258 18393
1987 1 6 . 1 1 8 8 ASN N N 22 114.898 114.898 114.650 0.248 18393
1988 1 6 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.361 -0.059 18393
1989 1 6 . 1 1 8 8 ASN C C 22 174.073 174.073 174.831 -0.758 18393
1990 1 6 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.229 0.204 18393
1991 1 6 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.267 -0.249 18393
1992 1 6 . 1 1 8 8 ASN H H 22 7.640 7.640 7.584 0.056 18393
1993 1 6 . 1 1 9 9 TRP N N 23 120.563 120.563 119.744 0.819 18393
1994 1 6 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.030 0.211 18393
1995 1 6 . 1 1 9 9 TRP C C 23 173.601 173.601 175.035 -1.434 18393
1996 1 6 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.594 -2.774 18393
1997 1 6 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.490 1.084 18393
1998 1 6 . 1 1 9 9 TRP H H 23 8.692 8.692 7.724 0.968 18393
1999 1 6 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.500 -0.041 18393
2000 1 6 . 1 1 10 10 PRO C C 24 175.391 175.391 176.419 -1.028 18393
2001 1 6 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.426 -0.328 18393
2002 1 6 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.634 -1.052 18393
2003 1 6 . 1 1 11 11 MET N N 25 116.562 116.562 117.616 -1.054 18393
2004 1 6 . 1 1 11 11 MET HA H 25 4.751 4.751 4.732 0.019 18393
2005 1 6 . 1 1 11 11 MET C C 25 175.240 175.240 175.385 -0.145 18393
2006 1 6 . 1 1 11 11 MET CA C 25 53.800 53.800 53.204 0.596 18393
2007 1 6 . 1 1 11 11 MET CB C 25 30.695 30.695 31.148 -0.453 18393
2008 1 6 . 1 1 11 11 MET H H 25 8.201 8.201 8.367 -0.166 18393
2009 1 6 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.728 -0.404 18393
2010 1 6 . 1 1 12 12 PRO C C 26 174.890 174.890 176.073 -1.183 18393
2011 1 6 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.592 0.889 18393
2012 1 6 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.872 -0.147 18393
2013 1 6 . 1 1 13 13 SER N N 27 116.608 116.608 115.951 0.657 18393
2014 1 6 . 1 1 13 13 SER HA H 27 4.781 4.781 4.708 0.073 18393
2015 1 6 . 1 1 13 13 SER C C 27 173.365 173.365 173.376 -0.011 18393
2016 1 6 . 1 1 13 13 SER CA C 27 57.219 57.219 58.278 -1.059 18393
2017 1 6 . 1 1 13 13 SER CB C 27 64.227 64.227 63.785 0.442 18393
2018 1 6 . 1 1 13 13 SER H H 27 8.555 8.555 8.754 -0.199 18393
2019 1 6 . 1 1 14 14 TYR N N 28 125.256 125.256 123.356 1.900 18393
2020 1 6 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.135 0.486 18393
2021 1 6 . 1 1 14 14 TYR C C 28 176.175 176.175 174.724 1.451 18393
2022 1 6 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.931 -0.368 18393
2023 1 6 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.972 0.889 18393
2024 1 6 . 1 1 14 14 TYR H H 28 8.939 8.939 8.632 0.307 18393
2025 1 6 . 1 1 15 15 ARG N N 29 120.540 120.540 126.044 -5.504 18393
2026 1 6 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.680 -0.138 18393
2027 1 6 . 1 1 15 15 ARG C C 29 173.134 173.134 174.437 -1.303 18393
2028 1 6 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.398 -0.578 18393
2029 1 6 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.312 1.409 18393
2030 1 6 . 1 1 15 15 ARG H H 29 9.159 9.159 9.446 -0.287 18393
2031 1 6 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.726 -1.829 18393
2032 1 6 . 1 1 16 16 CYS C C 30 174.180 174.180 175.008 -0.828 18393
2033 1 6 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.188 -0.469 18393
2034 1 6 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.829 -1.723 18393
2035 1 6 . 1 1 17 17 VAL N N 31 132.259 132.259 123.604 8.655 18393
2036 1 6 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.039 -0.388 18393
2037 1 6 . 1 1 17 17 VAL C C 31 175.711 175.711 176.035 -0.324 18393
2038 1 6 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.965 0.121 18393
2039 1 6 . 1 1 17 17 VAL CB C 31 32.512 32.512 31.769 0.743 18393
2040 1 6 . 1 1 17 17 VAL H H 31 8.659 8.659 8.679 -0.020 18393
2041 1 6 . 1 1 18 18 LYS N N 32 118.630 118.630 121.154 -2.524 18393
2042 1 6 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.539 -0.179 18393
2043 1 6 . 1 1 18 18 LYS C C 32 173.015 173.015 174.373 -1.358 18393
2044 1 6 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.698 0.704 18393
2045 1 6 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.666 1.338 18393
2046 1 6 . 1 1 18 18 LYS H H 32 7.673 7.673 8.204 -0.531 18393
2047 1 6 . 1 1 19 19 GLU N N 33 125.800 125.800 127.079 -1.279 18393
2048 1 6 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.707 0.146 18393
2049 1 6 . 1 1 19 19 GLU C C 33 175.060 175.060 175.693 -0.633 18393
2050 1 6 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.187 -1.623 18393
2051 1 6 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.374 -0.237 18393
2052 1 6 . 1 1 19 19 GLU H H 33 8.431 8.431 8.658 -0.227 18393
2053 1 6 . 1 1 20 20 GLY N N 34 111.079 111.079 114.133 -3.054 18393
2054 1 6 . 1 1 20 20 GLY C C 34 172.318 172.318 172.415 -0.097 18393
2055 1 6 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.332 -0.691 18393
2056 1 6 . 1 1 20 20 GLY H H 34 8.345 8.345 8.346 -0.001 18393
2057 1 6 . 1 1 21 21 GLY N N 35 107.395 107.395 108.645 -1.250 18393
2058 1 6 . 1 1 21 21 GLY C C 35 171.757 171.757 173.192 -1.435 18393
2059 1 6 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.072 -1.335 18393
2060 1 6 . 1 1 21 21 GLY H H 35 8.184 8.184 8.100 0.084 18393
2061 1 6 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.266 0.210 18393
2062 1 6 . 1 1 22 22 PRO C C 36 177.171 177.171 176.355 0.816 18393
2063 1 6 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.504 -2.241 18393
2064 1 6 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.076 0.185 18393
2065 1 6 . 1 1 23 23 ALA N N 37 120.595 120.595 115.450 5.145 18393
2066 1 6 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.273 -0.450 18393
2067 1 6 . 1 1 23 23 ALA C C 37 178.547 178.547 177.228 1.319 18393
2068 1 6 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.239 3.254 18393
2069 1 6 . 1 1 23 23 ALA CB C 37 18.551 18.551 19.116 -0.565 18393
2070 1 6 . 1 1 23 23 ALA H H 37 8.580 8.580 7.518 1.062 18393
2071 1 6 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.629 -0.014 18393
2072 1 6 . 1 1 24 24 HIS C C 38 174.890 174.890 174.226 0.664 18393
2073 1 6 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.209 -0.348 18393
2074 1 6 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.278 1.082 18393
2075 1 6 . 1 1 25 25 ALA N N 39 128.271 128.271 122.234 6.037 18393
2076 1 6 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.522 -0.048 18393
2077 1 6 . 1 1 25 25 ALA C C 39 174.351 174.351 176.687 -2.336 18393
2078 1 6 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.575 -0.259 18393
2079 1 6 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.409 -1.298 18393
2080 1 6 . 1 1 25 25 ALA H H 39 7.697 7.697 7.712 -0.015 18393
2081 1 6 . 1 1 26 26 LYS N N 40 121.927 121.927 119.290 2.637 18393
2082 1 6 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.418 -0.300 18393
2083 1 6 . 1 1 26 26 LYS C C 40 177.551 177.551 175.188 2.363 18393
2084 1 6 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.261 1.883 18393
2085 1 6 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.412 0.660 18393
2086 1 6 . 1 1 26 26 LYS H H 40 7.990 7.990 7.982 0.008 18393
2087 1 6 . 1 1 27 27 ARG N N 41 119.572 119.572 118.037 1.535 18393
2088 1 6 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.197 0.441 18393
2089 1 6 . 1 1 27 27 ARG C C 41 174.770 174.770 175.705 -0.935 18393
2090 1 6 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.186 -1.708 18393
2091 1 6 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.746 2.644 18393
2092 1 6 . 1 1 27 27 ARG H H 41 8.296 8.296 7.318 0.978 18393
2093 1 6 . 1 1 28 28 PHE N N 42 120.381 120.381 123.407 -3.026 18393
2094 1 6 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.161 -0.114 18393
2095 1 6 . 1 1 28 28 PHE C C 42 174.407 174.407 175.752 -1.345 18393
2096 1 6 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.766 2.260 18393
2097 1 6 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.646 2.483 18393
2098 1 6 . 1 1 28 28 PHE H H 42 9.339 9.339 8.918 0.421 18393
2099 1 6 . 1 1 29 29 THR N N 43 117.999 117.999 119.907 -1.908 18393
2100 1 6 . 1 1 29 29 THR HA H 43 4.704 4.704 4.767 -0.063 18393
2101 1 6 . 1 1 29 29 THR C C 43 173.713 173.713 172.869 0.844 18393
2102 1 6 . 1 1 29 29 THR CA C 43 62.117 62.117 61.903 0.214 18393
2103 1 6 . 1 1 29 29 THR CB C 43 70.104 70.104 70.070 0.034 18393
2104 1 6 . 1 1 29 29 THR H H 43 8.949 8.949 9.036 -0.087 18393
2105 1 6 . 1 1 30 30 PHE N N 44 129.592 129.592 127.371 2.221 18393
2106 1 6 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.928 0.467 18393
2107 1 6 . 1 1 30 30 PHE C C 44 173.221 173.221 172.782 0.439 18393
2108 1 6 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.796 0.627 18393
2109 1 6 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.360 1.557 18393
2110 1 6 . 1 1 30 30 PHE H H 44 10.048 10.048 8.914 1.134 18393
2111 1 6 . 1 1 31 31 GLY N N 45 105.921 105.921 109.334 -3.413 18393
2112 1 6 . 1 1 31 31 GLY C C 45 172.774 172.774 171.505 1.269 18393
2113 1 6 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.355 0.183 18393
2114 1 6 . 1 1 31 31 GLY H H 45 9.290 9.290 7.739 1.551 18393
2115 1 6 . 1 1 32 32 VAL N N 46 121.311 121.311 121.127 0.184 18393
2116 1 6 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.684 0.666 18393
2117 1 6 . 1 1 32 32 VAL C C 46 171.140 171.140 174.852 -3.712 18393
2118 1 6 . 1 1 32 32 VAL CA C 46 58.832 58.832 60.050 -1.218 18393
2119 1 6 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.047 2.340 18393
2120 1 6 . 1 1 32 32 VAL H H 46 8.906 8.906 8.042 0.864 18393
2121 1 6 . 1 1 33 33 ARG N N 47 122.102 122.102 122.418 -0.316 18393
2122 1 6 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.008 -0.437 18393
2123 1 6 . 1 1 33 33 ARG C C 47 173.683 173.683 174.711 -1.028 18393
2124 1 6 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.707 0.251 18393
2125 1 6 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.517 1.199 18393
2126 1 6 . 1 1 33 33 ARG H H 47 8.008 8.008 7.924 0.084 18393
2127 1 6 . 1 1 34 34 VAL N N 48 117.391 117.391 121.514 -4.123 18393
2128 1 6 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.425 0.362 18393
2129 1 6 . 1 1 34 34 VAL C C 48 172.777 172.777 172.992 -0.215 18393
2130 1 6 . 1 1 34 34 VAL CA C 48 59.970 59.970 61.129 -1.159 18393
2131 1 6 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.426 -0.114 18393
2132 1 6 . 1 1 34 34 VAL H H 48 8.103 8.103 8.942 -0.839 18393
2133 1 6 . 1 1 35 35 ASN N N 49 127.065 127.065 122.291 4.774 18393
2134 1 6 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.239 -0.703 18393
2135 1 6 . 1 1 35 35 ASN C C 49 174.221 174.221 174.136 0.085 18393
2136 1 6 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.667 -1.060 18393
2137 1 6 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.966 -3.224 18393
2138 1 6 . 1 1 35 35 ASN H H 49 8.543 8.543 8.584 -0.041 18393
2139 1 6 . 1 1 36 36 THR N N 50 114.402 114.402 116.378 -1.976 18393
2140 1 6 . 1 1 36 36 THR HA H 50 2.159 2.159 2.980 -0.821 18393
2141 1 6 . 1 1 36 36 THR C C 50 175.168 175.168 175.494 -0.326 18393
2142 1 6 . 1 1 36 36 THR CA C 50 61.126 61.126 61.284 -0.158 18393
2143 1 6 . 1 1 36 36 THR CB C 50 69.987 69.987 68.493 1.494 18393
2144 1 6 . 1 1 36 36 THR H H 50 6.801 6.801 7.753 -0.952 18393
2145 1 6 . 1 1 37 37 SER N N 51 114.587 114.587 121.311 -6.724 18393
2146 1 6 . 1 1 37 37 SER HA H 51 4.105 4.105 3.926 0.179 18393
2147 1 6 . 1 1 37 37 SER C C 51 174.760 174.760 175.200 -0.440 18393
2148 1 6 . 1 1 37 37 SER CA C 51 59.958 59.958 61.378 -1.420 18393
2149 1 6 . 1 1 37 37 SER CB C 51 63.115 63.115 63.185 -0.070 18393
2150 1 6 . 1 1 37 37 SER H H 51 6.797 6.797 8.236 -1.439 18393
2151 1 6 . 1 1 38 38 ASP N N 52 117.329 117.329 118.422 -1.093 18393
2152 1 6 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.482 0.107 18393
2153 1 6 . 1 1 38 38 ASP C C 52 177.236 177.236 177.055 0.181 18393
2154 1 6 . 1 1 38 38 ASP CA C 52 54.550 54.550 55.478 -0.929 18393
2155 1 6 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.599 0.007 18393
2156 1 6 . 1 1 38 38 ASP H H 52 8.784 8.784 8.504 0.280 18393
2157 1 6 . 1 1 39 39 ARG N N 53 118.330 118.330 118.209 0.121 18393
2158 1 6 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.469 0.027 18393
2159 1 6 . 1 1 39 39 ARG C C 53 176.062 176.062 176.205 -0.143 18393
2160 1 6 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.877 -0.827 18393
2161 1 6 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.545 -2.104 18393
2162 1 6 . 1 1 39 39 ARG H H 53 7.666 7.666 8.161 -0.495 18393
2163 1 6 . 1 1 40 40 GLY N N 54 110.510 110.510 107.347 3.163 18393
2164 1 6 . 1 1 40 40 GLY C C 54 177.680 177.680 172.503 5.177 18393
2165 1 6 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.162 0.515 18393
2166 1 6 . 1 1 40 40 GLY H H 54 7.248 7.248 7.962 -0.714 18393
2167 1 6 . 1 1 41 41 TRP N N 55 123.328 123.328 122.647 0.681 18393
2168 1 6 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.804 0.115 18393
2169 1 6 . 1 1 41 41 TRP C C 55 178.873 178.873 177.476 1.397 18393
2170 1 6 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.771 0.346 18393
2171 1 6 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.565 0.209 18393
2172 1 6 . 1 1 41 41 TRP H H 55 8.289 8.289 8.287 0.002 18393
2173 1 6 . 1 1 42 42 THR N N 56 114.627 114.627 119.286 -4.659 18393
2174 1 6 . 1 1 42 42 THR HA H 56 4.329 4.329 4.337 -0.008 18393
2175 1 6 . 1 1 42 42 THR C C 56 175.261 175.261 174.795 0.466 18393
2176 1 6 . 1 1 42 42 THR CA C 56 61.698 61.698 61.415 0.283 18393
2177 1 6 . 1 1 42 42 THR CB C 56 72.359 72.359 69.793 2.566 18393
2178 1 6 . 1 1 42 42 THR H H 56 8.972 8.972 8.655 0.317 18393
2179 1 6 . 1 1 43 43 ASP N N 57 120.151 120.151 117.739 2.412 18393
2180 1 6 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.419 0.026 18393
2181 1 6 . 1 1 43 43 ASP C C 57 175.710 175.710 175.584 0.126 18393
2182 1 6 . 1 1 43 43 ASP CA C 57 55.377 55.377 53.634 1.743 18393
2183 1 6 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.956 -1.084 18393
2184 1 6 . 1 1 43 43 ASP H H 57 8.379 8.379 8.393 -0.014 18393
2185 1 6 . 1 1 44 44 GLU N N 58 122.449 122.449 119.087 3.362 18393
2186 1 6 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.539 -0.074 18393
2187 1 6 . 1 1 44 44 GLU C C 58 176.412 176.412 176.834 -0.422 18393
2188 1 6 . 1 1 44 44 GLU CA C 58 55.471 55.471 55.562 -0.091 18393
2189 1 6 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.550 0.508 18393
2190 1 6 . 1 1 44 44 GLU H H 58 8.581 8.581 8.523 0.059 18393
2191 1 6 . 1 1 45 45 CYS N N 59 126.725 126.725 127.258 -0.533 18393
2192 1 6 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.479 0.216 18393
2193 1 6 . 1 1 45 45 CYS C C 59 173.364 173.364 174.058 -0.694 18393
2194 1 6 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.799 1.121 18393
2195 1 6 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.498 4.186 18393
2196 1 6 . 1 1 45 45 CYS H H 59 8.671 8.671 8.666 0.005 18393
2197 1 6 . 1 1 46 46 ILE N N 60 126.614 126.614 126.759 -0.145 18393
2198 1 6 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.334 0.359 18393
2199 1 6 . 1 1 46 46 ILE C C 60 176.175 176.175 176.729 -0.554 18393
2200 1 6 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.077 0.699 18393
2201 1 6 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.387 0.959 18393
2202 1 6 . 1 1 46 46 ILE H H 60 8.735 8.735 7.993 0.742 18393
2203 1 6 . 1 1 47 47 GLY N N 61 112.366 112.366 116.705 -4.339 18393
2204 1 6 . 1 1 47 47 GLY C C 61 171.844 171.844 173.986 -2.142 18393
2205 1 6 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.396 -0.113 18393
2206 1 6 . 1 1 47 47 GLY H H 61 8.610 8.610 8.916 -0.306 18393
2207 1 6 . 1 1 48 48 GLU N N 62 115.030 115.030 119.766 -4.736 18393
2208 1 6 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.695 -0.150 18393
2209 1 6 . 1 1 48 48 GLU C C 62 174.927 174.927 174.765 0.162 18393
2210 1 6 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.791 0.091 18393
2211 1 6 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.618 0.731 18393
2212 1 6 . 1 1 48 48 GLU H H 62 8.214 8.214 8.022 0.192 18393
2213 1 6 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.503 0.361 18393
2214 1 6 . 1 1 49 49 PRO C C 63 178.286 178.286 176.315 1.971 18393
2215 1 6 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.456 -1.196 18393
2216 1 6 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.561 -0.294 18393
2217 1 6 . 1 1 50 50 MET N N 64 123.505 123.505 124.587 -1.082 18393
2218 1 6 . 1 1 50 50 MET HA H 64 5.530 5.530 4.910 0.620 18393
2219 1 6 . 1 1 50 50 MET C C 64 176.337 176.337 174.769 1.568 18393
2220 1 6 . 1 1 50 50 MET CA C 64 51.674 51.674 51.599 0.075 18393
2221 1 6 . 1 1 50 50 MET CB C 64 37.597 37.597 33.654 3.943 18393
2222 1 6 . 1 1 50 50 MET H H 64 9.267 9.267 8.770 0.497 18393
2223 1 6 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.315 0.771 18393
2224 1 6 . 1 1 51 51 PRO C C 65 174.862 174.862 175.780 -0.918 18393
2225 1 6 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.985 0.681 18393
2226 1 6 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.389 1.138 18393
2227 1 6 . 1 1 52 52 SER N N 66 109.598 109.598 111.910 -2.312 18393
2228 1 6 . 1 1 52 52 SER HA H 66 4.813 4.813 4.701 0.112 18393
2229 1 6 . 1 1 52 52 SER C C 66 173.368 173.368 174.339 -0.971 18393
2230 1 6 . 1 1 52 52 SER CA C 66 55.463 55.463 56.641 -1.178 18393
2231 1 6 . 1 1 52 52 SER CB C 66 66.775 66.775 65.266 1.509 18393
2232 1 6 . 1 1 52 52 SER H H 66 7.165 7.165 7.191 -0.026 18393
2233 1 6 . 1 1 53 53 VAL N N 67 124.347 124.347 126.090 -1.743 18393
2234 1 6 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.840 -1.010 18393
2235 1 6 . 1 1 53 53 VAL C C 67 177.116 177.116 177.474 -0.358 18393
2236 1 6 . 1 1 53 53 VAL CA C 67 66.829 66.829 66.297 0.532 18393
2237 1 6 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.746 -0.422 18393
2238 1 6 . 1 1 53 53 VAL H H 67 8.522 8.522 8.986 -0.464 18393
2239 1 6 . 1 1 54 54 LYS N N 68 118.639 118.639 118.462 0.177 18393
2240 1 6 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.928 -0.459 18393
2241 1 6 . 1 1 54 54 LYS C C 68 178.286 178.286 178.790 -0.504 18393
2242 1 6 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.981 0.369 18393
2243 1 6 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.035 0.328 18393
2244 1 6 . 1 1 54 54 LYS H H 68 8.098 8.098 8.509 -0.411 18393
2245 1 6 . 1 1 55 55 LYS N N 69 115.388 115.388 117.936 -2.548 18393
2246 1 6 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.295 -0.201 18393
2247 1 6 . 1 1 55 55 LYS C C 69 179.694 179.694 178.407 1.287 18393
2248 1 6 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.310 0.518 18393
2249 1 6 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.042 0.797 18393
2250 1 6 . 1 1 55 55 LYS H H 69 7.499 7.499 7.673 -0.174 18393
2251 1 6 . 1 1 56 56 ALA N N 70 124.226 124.226 124.868 -0.642 18393
2252 1 6 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.173 -0.024 18393
2253 1 6 . 1 1 56 56 ALA C C 70 181.217 181.217 179.284 1.933 18393
2254 1 6 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.326 0.390 18393
2255 1 6 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.752 1.758 18393
2256 1 6 . 1 1 56 56 ALA H H 70 8.296 8.296 8.311 -0.015 18393
2257 1 6 . 1 1 57 57 LYS N N 71 120.522 120.522 118.200 2.322 18393
2258 1 6 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.017 -0.374 18393
2259 1 6 . 1 1 57 57 LYS C C 71 177.937 177.937 178.406 -0.469 18393
2260 1 6 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.782 1.305 18393
2261 1 6 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.824 0.304 18393
2262 1 6 . 1 1 57 57 LYS H H 71 8.385 8.385 8.071 0.314 18393
2263 1 6 . 1 1 58 58 ASP N N 72 119.428 119.428 119.698 -0.270 18393
2264 1 6 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.400 -0.094 18393
2265 1 6 . 1 1 58 58 ASP C C 72 177.042 177.042 178.642 -1.600 18393
2266 1 6 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.420 0.720 18393
2267 1 6 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.702 -0.577 18393
2268 1 6 . 1 1 58 58 ASP H H 72 8.029 8.029 7.950 0.079 18393
2269 1 6 . 1 1 59 59 SER N N 73 111.435 111.435 115.103 -3.668 18393
2270 1 6 . 1 1 59 59 SER HA H 73 4.243 4.243 4.235 0.008 18393
2271 1 6 . 1 1 59 59 SER C C 73 177.000 177.000 176.674 0.326 18393
2272 1 6 . 1 1 59 59 SER CA C 73 63.579 63.579 61.408 2.171 18393
2273 1 6 . 1 1 59 59 SER CB C 73 60.947 60.947 63.213 -2.266 18393
2274 1 6 . 1 1 59 59 SER H H 73 7.785 7.785 7.969 -0.184 18393
2275 1 6 . 1 1 60 60 ALA N N 74 120.363 120.363 123.470 -3.107 18393
2276 1 6 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.042 -0.079 18393
2277 1 6 . 1 1 60 60 ALA C C 74 178.170 178.170 179.429 -1.259 18393
2278 1 6 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.902 0.596 18393
2279 1 6 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.480 -0.569 18393
2280 1 6 . 1 1 60 60 ALA H H 74 7.472 7.472 7.725 -0.253 18393
2281 1 6 . 1 1 61 61 ALA N N 75 118.116 118.116 121.768 -3.652 18393
2282 1 6 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.099 -0.151 18393
2283 1 6 . 1 1 61 61 ALA C C 75 179.341 179.341 179.591 -0.250 18393
2284 1 6 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.180 0.480 18393
2285 1 6 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.311 0.631 18393
2286 1 6 . 1 1 61 61 ALA H H 75 8.653 8.653 8.518 0.135 18393
2287 1 6 . 1 1 62 62 VAL N N 76 115.858 115.858 117.566 -1.708 18393
2288 1 6 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.649 0.007 18393
2289 1 6 . 1 1 62 62 VAL C C 76 178.051 178.051 177.908 0.143 18393
2290 1 6 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.175 0.476 18393
2291 1 6 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.728 0.119 18393
2292 1 6 . 1 1 62 62 VAL H H 76 8.124 8.124 7.509 0.615 18393
2293 1 6 . 1 1 63 63 LEU N N 77 119.881 119.881 118.914 0.967 18393
2294 1 6 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.477 -0.288 18393
2295 1 6 . 1 1 63 63 LEU C C 77 179.692 179.692 179.505 0.187 18393
2296 1 6 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.803 0.781 18393
2297 1 6 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.874 0.042 18393
2298 1 6 . 1 1 63 63 LEU H H 77 7.038 7.038 7.611 -0.573 18393
2299 1 6 . 1 1 64 64 LEU N N 78 122.083 122.083 122.041 0.042 18393
2300 1 6 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.137 0.391 18393
2301 1 6 . 1 1 64 64 LEU C C 78 178.601 178.601 178.718 -0.117 18393
2302 1 6 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.914 -0.456 18393
2303 1 6 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.019 -0.765 18393
2304 1 6 . 1 1 64 64 LEU H H 78 7.694 7.694 7.954 -0.260 18393
2305 1 6 . 1 1 65 65 LEU N N 79 120.548 120.548 118.828 1.720 18393
2306 1 6 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.026 -0.162 18393
2307 1 6 . 1 1 65 65 LEU C C 79 178.861 178.861 178.709 0.152 18393
2308 1 6 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.251 0.226 18393
2309 1 6 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.409 0.209 18393
2310 1 6 . 1 1 65 65 LEU H H 79 8.671 8.671 8.396 0.275 18393
2311 1 6 . 1 1 66 66 GLU N N 80 117.398 117.398 117.801 -0.403 18393
2312 1 6 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.081 -0.022 18393
2313 1 6 . 1 1 66 66 GLU C C 80 178.957 178.957 178.646 0.311 18393
2314 1 6 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.913 0.423 18393
2315 1 6 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.511 -0.130 18393
2316 1 6 . 1 1 66 66 GLU H H 80 7.613 7.613 7.432 0.181 18393
2317 1 6 . 1 1 67 67 LEU N N 81 120.633 120.633 121.091 -0.458 18393
2318 1 6 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.092 0.068 18393
2319 1 6 . 1 1 67 67 LEU C C 81 180.162 180.162 179.277 0.885 18393
2320 1 6 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.940 0.173 18393
2321 1 6 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.286 -0.229 18393
2322 1 6 . 1 1 67 67 LEU H H 81 7.656 7.656 7.544 0.112 18393
2323 1 6 . 1 1 68 68 LEU N N 82 118.949 118.949 118.710 0.239 18393
2324 1 6 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.229 -0.066 18393
2325 1 6 . 1 1 68 68 LEU C C 82 178.289 178.289 178.556 -0.267 18393
2326 1 6 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.048 0.807 18393
2327 1 6 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.044 0.974 18393
2328 1 6 . 1 1 68 68 LEU H H 82 8.583 8.583 8.506 0.077 18393
2329 1 6 . 1 1 69 69 ASN N N 83 116.570 116.570 116.208 0.362 18393
2330 1 6 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.642 0.087 18393
2331 1 6 . 1 1 69 69 ASN C C 83 174.784 174.784 175.454 -0.670 18393
2332 1 6 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.076 -0.337 18393
2333 1 6 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.797 0.351 18393
2334 1 6 . 1 1 69 69 ASN H H 83 7.920 7.920 7.711 0.209 18393
2335 1 6 . 1 1 70 70 LYS N N 84 120.363 120.363 120.433 -0.070 18393
2336 1 6 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.577 -0.173 18393
2337 1 6 . 1 1 70 70 LYS C C 84 175.910 175.910 175.282 0.628 18393
2338 1 6 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.672 1.164 18393
2339 1 6 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.654 0.345 18393
2340 1 6 . 1 1 70 70 LYS H H 84 7.593 7.593 7.814 -0.221 18393
2341 1 7 . 1 1 2 2 ASP N N 16 119.381 119.381 122.577 -3.196 18393
2342 1 7 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.483 -0.143 18393
2343 1 7 . 1 1 2 2 ASP C C 16 178.935 178.935 177.624 1.311 18393
2344 1 7 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.402 0.306 18393
2345 1 7 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.562 0.119 18393
2346 1 7 . 1 1 2 2 ASP H H 16 8.320 8.320 8.669 -0.349 18393
2347 1 7 . 1 1 3 3 ILE N N 17 121.475 121.475 118.579 2.896 18393
2348 1 7 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.811 -0.265 18393
2349 1 7 . 1 1 3 3 ILE C C 17 177.116 177.116 177.720 -0.604 18393
2350 1 7 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.295 0.938 18393
2351 1 7 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.373 0.327 18393
2352 1 7 . 1 1 3 3 ILE H H 17 7.793 7.793 8.165 -0.372 18393
2353 1 7 . 1 1 4 4 CYS N N 18 117.506 117.506 118.895 -1.389 18393
2354 1 7 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.493 -0.551 18393
2355 1 7 . 1 1 4 4 CYS C C 18 176.671 176.671 176.731 -0.060 18393
2356 1 7 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.034 2.590 18393
2357 1 7 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.937 -0.972 18393
2358 1 7 . 1 1 4 4 CYS H H 18 7.823 7.823 7.801 0.022 18393
2359 1 7 . 1 1 5 5 LEU N N 19 118.832 118.832 122.550 -3.718 18393
2360 1 7 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.155 -0.059 18393
2361 1 7 . 1 1 5 5 LEU C C 19 180.698 180.698 179.253 1.445 18393
2362 1 7 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.840 0.097 18393
2363 1 7 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.885 0.181 18393
2364 1 7 . 1 1 5 5 LEU H H 19 8.101 8.101 8.391 -0.290 18393
2365 1 7 . 1 1 6 6 ARG N N 20 119.443 119.443 120.028 -0.585 18393
2366 1 7 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.975 -0.041 18393
2367 1 7 . 1 1 6 6 ARG C C 20 178.169 178.169 177.775 0.394 18393
2368 1 7 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.689 0.186 18393
2369 1 7 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.160 -0.180 18393
2370 1 7 . 1 1 6 6 ARG H H 20 7.934 7.934 8.343 -0.409 18393
2371 1 7 . 1 1 7 7 LYS N N 21 116.636 116.636 116.404 0.232 18393
2372 1 7 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.874 -0.101 18393
2373 1 7 . 1 1 7 7 LYS C C 21 175.224 175.224 175.374 -0.150 18393
2374 1 7 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.078 0.000 18393
2375 1 7 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.334 0.183 18393
2376 1 7 . 1 1 7 7 LYS H H 21 7.553 7.553 7.408 0.145 18393
2377 1 7 . 1 1 8 8 ASN N N 22 114.898 114.898 115.696 -0.798 18393
2378 1 7 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.338 -0.036 18393
2379 1 7 . 1 1 8 8 ASN C C 22 174.073 174.073 174.223 -0.150 18393
2380 1 7 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.334 0.099 18393
2381 1 7 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.393 -0.376 18393
2382 1 7 . 1 1 8 8 ASN H H 22 7.640 7.640 7.433 0.207 18393
2383 1 7 . 1 1 9 9 TRP N N 23 120.563 120.563 118.700 1.863 18393
2384 1 7 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.115 0.126 18393
2385 1 7 . 1 1 9 9 TRP C C 23 173.601 173.601 175.073 -1.472 18393
2386 1 7 . 1 1 9 9 TRP CA C 23 51.820 51.820 53.983 -2.163 18393
2387 1 7 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.483 1.091 18393
2388 1 7 . 1 1 9 9 TRP H H 23 8.692 8.692 7.546 1.146 18393
2389 1 7 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.509 -0.050 18393
2390 1 7 . 1 1 10 10 PRO C C 24 175.391 175.391 176.400 -1.009 18393
2391 1 7 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.471 -0.373 18393
2392 1 7 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.729 -1.147 18393
2393 1 7 . 1 1 11 11 MET N N 25 116.562 116.562 117.350 -0.788 18393
2394 1 7 . 1 1 11 11 MET HA H 25 4.751 4.751 4.783 -0.032 18393
2395 1 7 . 1 1 11 11 MET C C 25 175.240 175.240 174.778 0.462 18393
2396 1 7 . 1 1 11 11 MET CA C 25 53.800 53.800 53.319 0.481 18393
2397 1 7 . 1 1 11 11 MET CB C 25 30.695 30.695 30.962 -0.267 18393
2398 1 7 . 1 1 11 11 MET H H 25 8.201 8.201 8.473 -0.272 18393
2399 1 7 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.862 -0.538 18393
2400 1 7 . 1 1 12 12 PRO C C 26 174.890 174.890 175.857 -0.967 18393
2401 1 7 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.517 0.964 18393
2402 1 7 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.894 -0.169 18393
2403 1 7 . 1 1 13 13 SER N N 27 116.608 116.608 115.923 0.685 18393
2404 1 7 . 1 1 13 13 SER HA H 27 4.781 4.781 4.736 0.045 18393
2405 1 7 . 1 1 13 13 SER C C 27 173.365 173.365 173.578 -0.213 18393
2406 1 7 . 1 1 13 13 SER CA C 27 57.219 57.219 58.236 -1.017 18393
2407 1 7 . 1 1 13 13 SER CB C 27 64.227 64.227 63.899 0.328 18393
2408 1 7 . 1 1 13 13 SER H H 27 8.555 8.555 8.620 -0.065 18393
2409 1 7 . 1 1 14 14 TYR N N 28 125.256 125.256 123.836 1.420 18393
2410 1 7 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.138 0.483 18393
2411 1 7 . 1 1 14 14 TYR C C 28 176.175 176.175 174.750 1.425 18393
2412 1 7 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.718 -0.155 18393
2413 1 7 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.807 1.054 18393
2414 1 7 . 1 1 14 14 TYR H H 28 8.939 8.939 8.669 0.270 18393
2415 1 7 . 1 1 15 15 ARG N N 29 120.540 120.540 123.288 -2.748 18393
2416 1 7 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.808 -0.266 18393
2417 1 7 . 1 1 15 15 ARG C C 29 173.134 173.134 175.024 -1.890 18393
2418 1 7 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.544 0.276 18393
2419 1 7 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.683 1.038 18393
2420 1 7 . 1 1 15 15 ARG H H 29 9.159 9.159 8.905 0.254 18393
2421 1 7 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.542 -1.645 18393
2422 1 7 . 1 1 16 16 CYS C C 30 174.180 174.180 174.854 -0.674 18393
2423 1 7 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.335 -1.616 18393
2424 1 7 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.768 -1.662 18393
2425 1 7 . 1 1 17 17 VAL N N 31 132.259 132.259 127.598 4.661 18393
2426 1 7 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.174 -0.523 18393
2427 1 7 . 1 1 17 17 VAL C C 31 175.711 175.711 175.598 0.113 18393
2428 1 7 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.080 0.006 18393
2429 1 7 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.407 0.104 18393
2430 1 7 . 1 1 17 17 VAL H H 31 8.659 8.659 8.665 -0.006 18393
2431 1 7 . 1 1 18 18 LYS N N 32 118.630 118.630 120.465 -1.835 18393
2432 1 7 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.588 -0.228 18393
2433 1 7 . 1 1 18 18 LYS C C 32 173.015 173.015 174.195 -1.180 18393
2434 1 7 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.620 0.782 18393
2435 1 7 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.050 0.954 18393
2436 1 7 . 1 1 18 18 LYS H H 32 7.673 7.673 8.399 -0.726 18393
2437 1 7 . 1 1 19 19 GLU N N 33 125.800 125.800 126.316 -0.516 18393
2438 1 7 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.716 0.137 18393
2439 1 7 . 1 1 19 19 GLU C C 33 175.060 175.060 175.844 -0.784 18393
2440 1 7 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.969 -1.405 18393
2441 1 7 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.787 -0.650 18393
2442 1 7 . 1 1 19 19 GLU H H 33 8.431 8.431 8.688 -0.257 18393
2443 1 7 . 1 1 20 20 GLY N N 34 111.079 111.079 113.342 -2.263 18393
2444 1 7 . 1 1 20 20 GLY C C 34 172.318 172.318 172.780 -0.462 18393
2445 1 7 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.182 -0.541 18393
2446 1 7 . 1 1 20 20 GLY H H 34 8.345 8.345 8.416 -0.071 18393
2447 1 7 . 1 1 21 21 GLY N N 35 107.395 107.395 107.312 0.083 18393
2448 1 7 . 1 1 21 21 GLY C C 35 171.757 171.757 173.059 -1.302 18393
2449 1 7 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.815 -1.078 18393
2450 1 7 . 1 1 21 21 GLY H H 35 8.184 8.184 7.938 0.246 18393
2451 1 7 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.266 0.210 18393
2452 1 7 . 1 1 22 22 PRO C C 36 177.171 177.171 176.412 0.759 18393
2453 1 7 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.486 -2.223 18393
2454 1 7 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.009 0.252 18393
2455 1 7 . 1 1 23 23 ALA N N 37 120.595 120.595 115.468 5.127 18393
2456 1 7 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.241 -0.418 18393
2457 1 7 . 1 1 23 23 ALA C C 37 178.547 178.547 176.809 1.738 18393
2458 1 7 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.071 3.422 18393
2459 1 7 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.986 -0.435 18393
2460 1 7 . 1 1 23 23 ALA H H 37 8.580 8.580 7.466 1.114 18393
2461 1 7 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.636 -0.021 18393
2462 1 7 . 1 1 24 24 HIS C C 38 174.890 174.890 174.362 0.528 18393
2463 1 7 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.094 -0.233 18393
2464 1 7 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.268 1.092 18393
2465 1 7 . 1 1 25 25 ALA N N 39 128.271 128.271 123.147 5.124 18393
2466 1 7 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.550 -0.076 18393
2467 1 7 . 1 1 25 25 ALA C C 39 174.351 174.351 176.808 -2.457 18393
2468 1 7 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.495 -0.179 18393
2469 1 7 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.348 -1.237 18393
2470 1 7 . 1 1 25 25 ALA H H 39 7.697 7.697 7.677 0.020 18393
2471 1 7 . 1 1 26 26 LYS N N 40 121.927 121.927 119.285 2.642 18393
2472 1 7 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.246 -0.128 18393
2473 1 7 . 1 1 26 26 LYS C C 40 177.551 177.551 175.356 2.195 18393
2474 1 7 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.773 1.371 18393
2475 1 7 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.293 0.779 18393
2476 1 7 . 1 1 26 26 LYS H H 40 7.990 7.990 8.374 -0.384 18393
2477 1 7 . 1 1 27 27 ARG N N 41 119.572 119.572 119.100 0.472 18393
2478 1 7 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.011 0.627 18393
2479 1 7 . 1 1 27 27 ARG C C 41 174.770 174.770 175.625 -0.855 18393
2480 1 7 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.831 -2.353 18393
2481 1 7 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.704 2.686 18393
2482 1 7 . 1 1 27 27 ARG H H 41 8.296 8.296 7.581 0.715 18393
2483 1 7 . 1 1 28 28 PHE N N 42 120.381 120.381 124.317 -3.936 18393
2484 1 7 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.256 -0.209 18393
2485 1 7 . 1 1 28 28 PHE C C 42 174.407 174.407 175.839 -1.432 18393
2486 1 7 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.246 1.780 18393
2487 1 7 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.943 2.186 18393
2488 1 7 . 1 1 28 28 PHE H H 42 9.339 9.339 8.909 0.430 18393
2489 1 7 . 1 1 29 29 THR N N 43 117.999 117.999 118.503 -0.504 18393
2490 1 7 . 1 1 29 29 THR HA H 43 4.704 4.704 4.841 -0.137 18393
2491 1 7 . 1 1 29 29 THR C C 43 173.713 173.713 173.065 0.648 18393
2492 1 7 . 1 1 29 29 THR CA C 43 62.117 62.117 61.857 0.260 18393
2493 1 7 . 1 1 29 29 THR CB C 43 70.104 70.104 71.045 -0.941 18393
2494 1 7 . 1 1 29 29 THR H H 43 8.949 8.949 9.126 -0.177 18393
2495 1 7 . 1 1 30 30 PHE N N 44 129.592 129.592 126.839 2.753 18393
2496 1 7 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.003 0.392 18393
2497 1 7 . 1 1 30 30 PHE C C 44 173.221 173.221 172.849 0.372 18393
2498 1 7 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.887 0.536 18393
2499 1 7 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.694 1.223 18393
2500 1 7 . 1 1 30 30 PHE H H 44 10.048 10.048 8.823 1.225 18393
2501 1 7 . 1 1 31 31 GLY N N 45 105.921 105.921 108.595 -2.674 18393
2502 1 7 . 1 1 31 31 GLY C C 45 172.774 172.774 171.606 1.168 18393
2503 1 7 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.376 0.162 18393
2504 1 7 . 1 1 31 31 GLY H H 45 9.290 9.290 7.722 1.568 18393
2505 1 7 . 1 1 32 32 VAL N N 46 121.311 121.311 120.278 1.033 18393
2506 1 7 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.553 0.797 18393
2507 1 7 . 1 1 32 32 VAL C C 46 171.140 171.140 174.785 -3.645 18393
2508 1 7 . 1 1 32 32 VAL CA C 46 58.832 58.832 60.136 -1.304 18393
2509 1 7 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.039 2.348 18393
2510 1 7 . 1 1 32 32 VAL H H 46 8.906 8.906 7.745 1.161 18393
2511 1 7 . 1 1 33 33 ARG N N 47 122.102 122.102 122.536 -0.434 18393
2512 1 7 . 1 1 33 33 ARG HA H 47 4.571 4.571 4.906 -0.335 18393
2513 1 7 . 1 1 33 33 ARG C C 47 173.683 173.683 174.653 -0.970 18393
2514 1 7 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.647 0.312 18393
2515 1 7 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.014 1.702 18393
2516 1 7 . 1 1 33 33 ARG H H 47 8.008 8.008 7.947 0.061 18393
2517 1 7 . 1 1 34 34 VAL N N 48 117.391 117.391 121.682 -4.291 18393
2518 1 7 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.453 0.334 18393
2519 1 7 . 1 1 34 34 VAL C C 48 172.777 172.777 173.258 -0.481 18393
2520 1 7 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.282 -0.312 18393
2521 1 7 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.162 0.150 18393
2522 1 7 . 1 1 34 34 VAL H H 48 8.103 8.103 9.085 -0.982 18393
2523 1 7 . 1 1 35 35 ASN N N 49 127.065 127.065 122.556 4.509 18393
2524 1 7 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.319 -0.783 18393
2525 1 7 . 1 1 35 35 ASN C C 49 174.221 174.221 173.933 0.288 18393
2526 1 7 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.358 -0.751 18393
2527 1 7 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.244 -3.502 18393
2528 1 7 . 1 1 35 35 ASN H H 49 8.543 8.543 8.563 -0.020 18393
2529 1 7 . 1 1 36 36 THR N N 50 114.402 114.402 115.729 -1.327 18393
2530 1 7 . 1 1 36 36 THR HA H 50 2.159 2.159 2.993 -0.834 18393
2531 1 7 . 1 1 36 36 THR C C 50 175.168 175.168 175.682 -0.514 18393
2532 1 7 . 1 1 36 36 THR CA C 50 61.126 61.126 61.314 -0.188 18393
2533 1 7 . 1 1 36 36 THR CB C 50 69.987 69.987 68.763 1.224 18393
2534 1 7 . 1 1 36 36 THR H H 50 6.801 6.801 7.800 -0.999 18393
2535 1 7 . 1 1 37 37 SER N N 51 114.587 114.587 120.996 -6.409 18393
2536 1 7 . 1 1 37 37 SER HA H 51 4.105 4.105 3.993 0.112 18393
2537 1 7 . 1 1 37 37 SER C C 51 174.760 174.760 174.904 -0.144 18393
2538 1 7 . 1 1 37 37 SER CA C 51 59.958 59.958 61.291 -1.333 18393
2539 1 7 . 1 1 37 37 SER CB C 51 63.115 63.115 63.153 -0.038 18393
2540 1 7 . 1 1 37 37 SER H H 51 6.797 6.797 8.575 -1.778 18393
2541 1 7 . 1 1 38 38 ASP N N 52 117.329 117.329 117.638 -0.309 18393
2542 1 7 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.629 -0.040 18393
2543 1 7 . 1 1 38 38 ASP C C 52 177.236 177.236 176.598 0.638 18393
2544 1 7 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.453 0.097 18393
2545 1 7 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.997 -0.391 18393
2546 1 7 . 1 1 38 38 ASP H H 52 8.784 8.784 8.082 0.702 18393
2547 1 7 . 1 1 39 39 ARG N N 53 118.330 118.330 120.230 -1.900 18393
2548 1 7 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.428 0.068 18393
2549 1 7 . 1 1 39 39 ARG C C 53 176.062 176.062 176.016 0.046 18393
2550 1 7 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.630 -0.580 18393
2551 1 7 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.257 -1.816 18393
2552 1 7 . 1 1 39 39 ARG H H 53 7.666 7.666 7.829 -0.163 18393
2553 1 7 . 1 1 40 40 GLY N N 54 110.510 110.510 106.856 3.654 18393
2554 1 7 . 1 1 40 40 GLY C C 54 177.680 177.680 172.970 4.710 18393
2555 1 7 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.186 0.491 18393
2556 1 7 . 1 1 40 40 GLY H H 54 7.248 7.248 7.686 -0.438 18393
2557 1 7 . 1 1 41 41 TRP N N 55 123.328 123.328 122.993 0.335 18393
2558 1 7 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.763 0.156 18393
2559 1 7 . 1 1 41 41 TRP C C 55 178.873 178.873 177.628 1.245 18393
2560 1 7 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.737 0.380 18393
2561 1 7 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.446 0.328 18393
2562 1 7 . 1 1 41 41 TRP H H 55 8.289 8.289 8.418 -0.129 18393
2563 1 7 . 1 1 42 42 THR N N 56 114.627 114.627 116.156 -1.529 18393
2564 1 7 . 1 1 42 42 THR HA H 56 4.329 4.329 4.373 -0.044 18393
2565 1 7 . 1 1 42 42 THR C C 56 175.261 175.261 174.203 1.058 18393
2566 1 7 . 1 1 42 42 THR CA C 56 61.698 61.698 60.936 0.762 18393
2567 1 7 . 1 1 42 42 THR CB C 56 72.359 72.359 70.265 2.094 18393
2568 1 7 . 1 1 42 42 THR H H 56 8.972 8.972 8.801 0.171 18393
2569 1 7 . 1 1 43 43 ASP N N 57 120.151 120.151 120.701 -0.550 18393
2570 1 7 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.505 -0.060 18393
2571 1 7 . 1 1 43 43 ASP C C 57 175.710 175.710 176.087 -0.377 18393
2572 1 7 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.613 -0.236 18393
2573 1 7 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.569 -0.697 18393
2574 1 7 . 1 1 43 43 ASP H H 57 8.379 8.379 8.544 -0.165 18393
2575 1 7 . 1 1 44 44 GLU N N 58 122.449 122.449 124.123 -1.674 18393
2576 1 7 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.529 -0.064 18393
2577 1 7 . 1 1 44 44 GLU C C 58 176.412 176.412 176.650 -0.238 18393
2578 1 7 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.645 -1.174 18393
2579 1 7 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.798 1.260 18393
2580 1 7 . 1 1 44 44 GLU H H 58 8.581 8.581 8.602 -0.021 18393
2581 1 7 . 1 1 45 45 CYS N N 59 126.725 126.725 127.865 -1.140 18393
2582 1 7 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.449 0.246 18393
2583 1 7 . 1 1 45 45 CYS C C 59 173.364 173.364 174.225 -0.861 18393
2584 1 7 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.784 1.136 18393
2585 1 7 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.927 3.757 18393
2586 1 7 . 1 1 45 45 CYS H H 59 8.671 8.671 8.486 0.185 18393
2587 1 7 . 1 1 46 46 ILE N N 60 126.614 126.614 126.797 -0.183 18393
2588 1 7 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.142 0.551 18393
2589 1 7 . 1 1 46 46 ILE C C 60 176.175 176.175 176.693 -0.518 18393
2590 1 7 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.471 0.305 18393
2591 1 7 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.157 1.189 18393
2592 1 7 . 1 1 46 46 ILE H H 60 8.735 8.735 7.875 0.860 18393
2593 1 7 . 1 1 47 47 GLY N N 61 112.366 112.366 116.887 -4.521 18393
2594 1 7 . 1 1 47 47 GLY C C 61 171.844 171.844 173.588 -1.744 18393
2595 1 7 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.142 0.140 18393
2596 1 7 . 1 1 47 47 GLY H H 61 8.610 8.610 8.844 -0.234 18393
2597 1 7 . 1 1 48 48 GLU N N 62 115.030 115.030 119.988 -4.958 18393
2598 1 7 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.575 -0.030 18393
2599 1 7 . 1 1 48 48 GLU C C 62 174.927 174.927 174.627 0.300 18393
2600 1 7 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.005 -0.123 18393
2601 1 7 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.004 0.345 18393
2602 1 7 . 1 1 48 48 GLU H H 62 8.214 8.214 8.069 0.145 18393
2603 1 7 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.525 0.339 18393
2604 1 7 . 1 1 49 49 PRO C C 63 178.286 178.286 175.602 2.684 18393
2605 1 7 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.461 -1.201 18393
2606 1 7 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.475 -0.208 18393
2607 1 7 . 1 1 50 50 MET N N 64 123.505 123.505 123.979 -0.474 18393
2608 1 7 . 1 1 50 50 MET HA H 64 5.530 5.530 4.941 0.589 18393
2609 1 7 . 1 1 50 50 MET C C 64 176.337 176.337 174.673 1.664 18393
2610 1 7 . 1 1 50 50 MET CA C 64 51.674 51.674 51.530 0.144 18393
2611 1 7 . 1 1 50 50 MET CB C 64 37.597 37.597 33.689 3.908 18393
2612 1 7 . 1 1 50 50 MET H H 64 9.267 9.267 9.062 0.205 18393
2613 1 7 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.411 0.675 18393
2614 1 7 . 1 1 51 51 PRO C C 65 174.862 174.862 175.915 -1.053 18393
2615 1 7 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.401 0.265 18393
2616 1 7 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.595 0.932 18393
2617 1 7 . 1 1 52 52 SER N N 66 109.598 109.598 112.181 -2.583 18393
2618 1 7 . 1 1 52 52 SER HA H 66 4.813 4.813 4.789 0.024 18393
2619 1 7 . 1 1 52 52 SER C C 66 173.368 173.368 175.039 -1.671 18393
2620 1 7 . 1 1 52 52 SER CA C 66 55.463 55.463 55.776 -0.313 18393
2621 1 7 . 1 1 52 52 SER CB C 66 66.775 66.775 65.407 1.368 18393
2622 1 7 . 1 1 52 52 SER H H 66 7.165 7.165 7.244 -0.079 18393
2623 1 7 . 1 1 53 53 VAL N N 67 124.347 124.347 124.641 -0.294 18393
2624 1 7 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.939 -1.109 18393
2625 1 7 . 1 1 53 53 VAL C C 67 177.116 177.116 176.913 0.203 18393
2626 1 7 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.139 1.690 18393
2627 1 7 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.690 -0.366 18393
2628 1 7 . 1 1 53 53 VAL H H 67 8.522 8.522 8.912 -0.390 18393
2629 1 7 . 1 1 54 54 LYS N N 68 118.639 118.639 120.208 -1.569 18393
2630 1 7 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.047 -0.578 18393
2631 1 7 . 1 1 54 54 LYS C C 68 178.286 178.286 178.777 -0.491 18393
2632 1 7 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.611 0.738 18393
2633 1 7 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.206 0.158 18393
2634 1 7 . 1 1 54 54 LYS H H 68 8.098 8.098 7.686 0.412 18393
2635 1 7 . 1 1 55 55 LYS N N 69 115.388 115.388 119.206 -3.818 18393
2636 1 7 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.225 -0.131 18393
2637 1 7 . 1 1 55 55 LYS C C 69 179.694 179.694 178.893 0.801 18393
2638 1 7 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.951 -0.123 18393
2639 1 7 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.345 0.494 18393
2640 1 7 . 1 1 55 55 LYS H H 69 7.499 7.499 7.627 -0.128 18393
2641 1 7 . 1 1 56 56 ALA N N 70 124.226 124.226 124.002 0.224 18393
2642 1 7 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.202 -0.053 18393
2643 1 7 . 1 1 56 56 ALA C C 70 181.217 181.217 179.580 1.637 18393
2644 1 7 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.391 0.325 18393
2645 1 7 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.546 1.964 18393
2646 1 7 . 1 1 56 56 ALA H H 70 8.296 8.296 8.013 0.283 18393
2647 1 7 . 1 1 57 57 LYS N N 71 120.522 120.522 118.601 1.921 18393
2648 1 7 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.106 -0.463 18393
2649 1 7 . 1 1 57 57 LYS C C 71 177.937 177.937 179.130 -1.193 18393
2650 1 7 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.333 0.754 18393
2651 1 7 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.004 0.124 18393
2652 1 7 . 1 1 57 57 LYS H H 71 8.385 8.385 7.539 0.846 18393
2653 1 7 . 1 1 58 58 ASP N N 72 119.428 119.428 119.637 -0.209 18393
2654 1 7 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.455 -0.149 18393
2655 1 7 . 1 1 58 58 ASP C C 72 177.042 177.042 178.972 -1.930 18393
2656 1 7 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.609 0.531 18393
2657 1 7 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.617 -0.492 18393
2658 1 7 . 1 1 58 58 ASP H H 72 8.029 8.029 8.068 -0.039 18393
2659 1 7 . 1 1 59 59 SER N N 73 111.435 111.435 115.451 -4.016 18393
2660 1 7 . 1 1 59 59 SER HA H 73 4.243 4.243 4.192 0.051 18393
2661 1 7 . 1 1 59 59 SER C C 73 177.000 177.000 176.581 0.419 18393
2662 1 7 . 1 1 59 59 SER CA C 73 63.579 63.579 61.827 1.752 18393
2663 1 7 . 1 1 59 59 SER CB C 73 60.947 60.947 62.998 -2.051 18393
2664 1 7 . 1 1 59 59 SER H H 73 7.785 7.785 8.411 -0.626 18393
2665 1 7 . 1 1 60 60 ALA N N 74 120.363 120.363 124.954 -4.591 18393
2666 1 7 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.999 -0.036 18393
2667 1 7 . 1 1 60 60 ALA C C 74 178.170 178.170 179.362 -1.192 18393
2668 1 7 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.890 0.608 18393
2669 1 7 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.387 -0.476 18393
2670 1 7 . 1 1 60 60 ALA H H 74 7.472 7.472 7.832 -0.360 18393
2671 1 7 . 1 1 61 61 ALA N N 75 118.116 118.116 121.501 -3.385 18393
2672 1 7 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.059 -0.111 18393
2673 1 7 . 1 1 61 61 ALA C C 75 179.341 179.341 179.542 -0.201 18393
2674 1 7 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.260 0.400 18393
2675 1 7 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.401 0.540 18393
2676 1 7 . 1 1 61 61 ALA H H 75 8.653 8.653 8.598 0.055 18393
2677 1 7 . 1 1 62 62 VAL N N 76 115.858 115.858 117.636 -1.778 18393
2678 1 7 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.777 -0.121 18393
2679 1 7 . 1 1 62 62 VAL C C 76 178.051 178.051 178.051 0.000 18393
2680 1 7 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.644 0.007 18393
2681 1 7 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.121 0.726 18393
2682 1 7 . 1 1 62 62 VAL H H 76 8.124 8.124 7.895 0.229 18393
2683 1 7 . 1 1 63 63 LEU N N 77 119.881 119.881 118.901 0.980 18393
2684 1 7 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.114 0.075 18393
2685 1 7 . 1 1 63 63 LEU C C 77 179.692 179.692 179.293 0.399 18393
2686 1 7 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.098 0.486 18393
2687 1 7 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.589 0.327 18393
2688 1 7 . 1 1 63 63 LEU H H 77 7.038 7.038 7.433 -0.395 18393
2689 1 7 . 1 1 64 64 LEU N N 78 122.083 122.083 122.306 -0.223 18393
2690 1 7 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.149 0.379 18393
2691 1 7 . 1 1 64 64 LEU C C 78 178.601 178.601 178.698 -0.097 18393
2692 1 7 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.972 -0.514 18393
2693 1 7 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.018 -0.764 18393
2694 1 7 . 1 1 64 64 LEU H H 78 7.694 7.694 8.172 -0.478 18393
2695 1 7 . 1 1 65 65 LEU N N 79 120.548 120.548 118.713 1.835 18393
2696 1 7 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.005 -0.141 18393
2697 1 7 . 1 1 65 65 LEU C C 79 178.861 178.861 179.028 -0.167 18393
2698 1 7 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.328 0.149 18393
2699 1 7 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.519 0.099 18393
2700 1 7 . 1 1 65 65 LEU H H 79 8.671 8.671 8.587 0.084 18393
2701 1 7 . 1 1 66 66 GLU N N 80 117.398 117.398 118.230 -0.832 18393
2702 1 7 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.077 -0.018 18393
2703 1 7 . 1 1 66 66 GLU C C 80 178.957 178.957 177.992 0.965 18393
2704 1 7 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.577 0.759 18393
2705 1 7 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.203 0.178 18393
2706 1 7 . 1 1 66 66 GLU H H 80 7.613 7.613 7.696 -0.083 18393
2707 1 7 . 1 1 67 67 LEU N N 81 120.633 120.633 120.488 0.145 18393
2708 1 7 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.109 0.051 18393
2709 1 7 . 1 1 67 67 LEU C C 81 180.162 180.162 179.198 0.964 18393
2710 1 7 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.658 0.455 18393
2711 1 7 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.419 -0.362 18393
2712 1 7 . 1 1 67 67 LEU H H 81 7.656 7.656 7.418 0.238 18393
2713 1 7 . 1 1 68 68 LEU N N 82 118.949 118.949 119.636 -0.687 18393
2714 1 7 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.171 -0.008 18393
2715 1 7 . 1 1 68 68 LEU C C 82 178.289 178.289 178.616 -0.327 18393
2716 1 7 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.586 0.269 18393
2717 1 7 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.086 0.932 18393
2718 1 7 . 1 1 68 68 LEU H H 82 8.583 8.583 8.755 -0.172 18393
2719 1 7 . 1 1 69 69 ASN N N 83 116.570 116.570 116.603 -0.033 18393
2720 1 7 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.705 0.024 18393
2721 1 7 . 1 1 69 69 ASN C C 83 174.784 174.784 175.247 -0.463 18393
2722 1 7 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.824 -0.085 18393
2723 1 7 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.664 0.484 18393
2724 1 7 . 1 1 69 69 ASN H H 83 7.920 7.920 7.889 0.031 18393
2725 1 7 . 1 1 70 70 LYS N N 84 120.363 120.363 120.135 0.228 18393
2726 1 7 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.618 -0.214 18393
2727 1 7 . 1 1 70 70 LYS C C 84 175.910 175.910 175.589 0.321 18393
2728 1 7 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.192 1.644 18393
2729 1 7 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.945 0.054 18393
2730 1 7 . 1 1 70 70 LYS H H 84 7.593 7.593 7.547 0.046 18393
2731 1 8 . 1 1 2 2 ASP N N 16 119.381 119.381 121.672 -2.291 18393
2732 1 8 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.484 -0.144 18393
2733 1 8 . 1 1 2 2 ASP C C 16 178.935 178.935 178.065 0.870 18393
2734 1 8 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.577 0.131 18393
2735 1 8 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.485 0.196 18393
2736 1 8 . 1 1 2 2 ASP H H 16 8.320 8.320 8.819 -0.499 18393
2737 1 8 . 1 1 3 3 ILE N N 17 121.475 121.475 119.159 2.316 18393
2738 1 8 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.780 -0.234 18393
2739 1 8 . 1 1 3 3 ILE C C 17 177.116 177.116 177.778 -0.662 18393
2740 1 8 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.306 0.927 18393
2741 1 8 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.319 0.382 18393
2742 1 8 . 1 1 3 3 ILE H H 17 7.793 7.793 8.207 -0.414 18393
2743 1 8 . 1 1 4 4 CYS N N 18 117.506 117.506 118.625 -1.119 18393
2744 1 8 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.439 -0.497 18393
2745 1 8 . 1 1 4 4 CYS C C 18 176.671 176.671 176.729 -0.058 18393
2746 1 8 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.834 2.790 18393
2747 1 8 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.089 -1.124 18393
2748 1 8 . 1 1 4 4 CYS H H 18 7.823 7.823 7.711 0.112 18393
2749 1 8 . 1 1 5 5 LEU N N 19 118.832 118.832 122.771 -3.939 18393
2750 1 8 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.155 -0.059 18393
2751 1 8 . 1 1 5 5 LEU C C 19 180.698 180.698 179.380 1.318 18393
2752 1 8 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.859 0.077 18393
2753 1 8 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.901 0.166 18393
2754 1 8 . 1 1 5 5 LEU H H 19 8.101 8.101 8.456 -0.355 18393
2755 1 8 . 1 1 6 6 ARG N N 20 119.443 119.443 120.294 -0.851 18393
2756 1 8 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.947 -0.013 18393
2757 1 8 . 1 1 6 6 ARG C C 20 178.169 178.169 177.794 0.375 18393
2758 1 8 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.880 -0.005 18393
2759 1 8 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.100 -0.120 18393
2760 1 8 . 1 1 6 6 ARG H H 20 7.934 7.934 8.566 -0.632 18393
2761 1 8 . 1 1 7 7 LYS N N 21 116.636 116.636 116.203 0.433 18393
2762 1 8 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.847 -0.074 18393
2763 1 8 . 1 1 7 7 LYS C C 21 175.224 175.224 175.719 -0.495 18393
2764 1 8 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.230 -0.152 18393
2765 1 8 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.912 -0.395 18393
2766 1 8 . 1 1 7 7 LYS H H 21 7.553 7.553 7.338 0.215 18393
2767 1 8 . 1 1 8 8 ASN N N 22 114.898 114.898 114.338 0.560 18393
2768 1 8 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.447 -0.145 18393
2769 1 8 . 1 1 8 8 ASN C C 22 174.073 174.073 174.728 -0.655 18393
2770 1 8 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.316 0.117 18393
2771 1 8 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.518 -0.501 18393
2772 1 8 . 1 1 8 8 ASN H H 22 7.640 7.640 7.752 -0.112 18393
2773 1 8 . 1 1 9 9 TRP N N 23 120.563 120.563 119.858 0.705 18393
2774 1 8 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.045 0.196 18393
2775 1 8 . 1 1 9 9 TRP C C 23 173.601 173.601 175.235 -1.634 18393
2776 1 8 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.717 -2.897 18393
2777 1 8 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.395 1.179 18393
2778 1 8 . 1 1 9 9 TRP H H 23 8.692 8.692 7.724 0.968 18393
2779 1 8 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.498 -0.039 18393
2780 1 8 . 1 1 10 10 PRO C C 24 175.391 175.391 176.332 -0.941 18393
2781 1 8 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.551 -0.453 18393
2782 1 8 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.721 -1.139 18393
2783 1 8 . 1 1 11 11 MET N N 25 116.562 116.562 117.340 -0.778 18393
2784 1 8 . 1 1 11 11 MET HA H 25 4.751 4.751 4.780 -0.029 18393
2785 1 8 . 1 1 11 11 MET C C 25 175.240 175.240 174.990 0.250 18393
2786 1 8 . 1 1 11 11 MET CA C 25 53.800 53.800 53.244 0.556 18393
2787 1 8 . 1 1 11 11 MET CB C 25 30.695 30.695 30.889 -0.194 18393
2788 1 8 . 1 1 11 11 MET H H 25 8.201 8.201 8.436 -0.235 18393
2789 1 8 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.682 -0.358 18393
2790 1 8 . 1 1 12 12 PRO C C 26 174.890 174.890 176.170 -1.280 18393
2791 1 8 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.558 0.923 18393
2792 1 8 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.710 0.015 18393
2793 1 8 . 1 1 13 13 SER N N 27 116.608 116.608 115.783 0.825 18393
2794 1 8 . 1 1 13 13 SER HA H 27 4.781 4.781 4.682 0.099 18393
2795 1 8 . 1 1 13 13 SER C C 27 173.365 173.365 173.473 -0.108 18393
2796 1 8 . 1 1 13 13 SER CA C 27 57.219 57.219 58.376 -1.157 18393
2797 1 8 . 1 1 13 13 SER CB C 27 64.227 64.227 63.948 0.279 18393
2798 1 8 . 1 1 13 13 SER H H 27 8.555 8.555 8.543 0.012 18393
2799 1 8 . 1 1 14 14 TYR N N 28 125.256 125.256 122.603 2.653 18393
2800 1 8 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.086 0.535 18393
2801 1 8 . 1 1 14 14 TYR C C 28 176.175 176.175 174.682 1.493 18393
2802 1 8 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.898 -0.335 18393
2803 1 8 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.951 0.910 18393
2804 1 8 . 1 1 14 14 TYR H H 28 8.939 8.939 8.565 0.374 18393
2805 1 8 . 1 1 15 15 ARG N N 29 120.540 120.540 125.524 -4.984 18393
2806 1 8 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.585 -0.043 18393
2807 1 8 . 1 1 15 15 ARG C C 29 173.134 173.134 174.630 -1.496 18393
2808 1 8 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.603 -0.783 18393
2809 1 8 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.193 0.528 18393
2810 1 8 . 1 1 15 15 ARG H H 29 9.159 9.159 9.369 -0.210 18393
2811 1 8 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.656 -1.759 18393
2812 1 8 . 1 1 16 16 CYS C C 30 174.180 174.180 175.572 -1.392 18393
2813 1 8 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.685 -1.966 18393
2814 1 8 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.104 -1.998 18393
2815 1 8 . 1 1 17 17 VAL N N 31 132.259 132.259 122.814 9.445 18393
2816 1 8 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.156 -0.505 18393
2817 1 8 . 1 1 17 17 VAL C C 31 175.711 175.711 175.812 -0.101 18393
2818 1 8 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.464 0.622 18393
2819 1 8 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.276 0.236 18393
2820 1 8 . 1 1 17 17 VAL H H 31 8.659 8.659 8.445 0.214 18393
2821 1 8 . 1 1 18 18 LYS N N 32 118.630 118.630 121.272 -2.642 18393
2822 1 8 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.586 -0.226 18393
2823 1 8 . 1 1 18 18 LYS C C 32 173.015 173.015 174.466 -1.451 18393
2824 1 8 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.686 0.716 18393
2825 1 8 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.319 0.685 18393
2826 1 8 . 1 1 18 18 LYS H H 32 7.673 7.673 8.195 -0.522 18393
2827 1 8 . 1 1 19 19 GLU N N 33 125.800 125.800 126.064 -0.264 18393
2828 1 8 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.679 0.174 18393
2829 1 8 . 1 1 19 19 GLU C C 33 175.060 175.060 175.473 -0.413 18393
2830 1 8 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.544 -0.980 18393
2831 1 8 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.291 -0.154 18393
2832 1 8 . 1 1 19 19 GLU H H 33 8.431 8.431 8.660 -0.229 18393
2833 1 8 . 1 1 20 20 GLY N N 34 111.079 111.079 113.127 -2.048 18393
2834 1 8 . 1 1 20 20 GLY C C 34 172.318 172.318 173.479 -1.161 18393
2835 1 8 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.261 -0.620 18393
2836 1 8 . 1 1 20 20 GLY H H 34 8.345 8.345 9.072 -0.727 18393
2837 1 8 . 1 1 21 21 GLY N N 35 107.395 107.395 106.653 0.742 18393
2838 1 8 . 1 1 21 21 GLY C C 35 171.757 171.757 171.694 0.063 18393
2839 1 8 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.518 -0.781 18393
2840 1 8 . 1 1 21 21 GLY H H 35 8.184 8.184 8.161 0.023 18393
2841 1 8 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.492 -0.016 18393
2842 1 8 . 1 1 22 22 PRO C C 36 177.171 177.171 177.295 -0.124 18393
2843 1 8 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.227 0.036 18393
2844 1 8 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.766 0.495 18393
2845 1 8 . 1 1 23 23 ALA N N 37 120.595 120.595 124.491 -3.896 18393
2846 1 8 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.980 -0.157 18393
2847 1 8 . 1 1 23 23 ALA C C 37 178.547 178.547 179.027 -0.480 18393
2848 1 8 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.919 0.574 18393
2849 1 8 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.465 0.086 18393
2850 1 8 . 1 1 23 23 ALA H H 37 8.580 8.580 8.512 0.068 18393
2851 1 8 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.452 0.163 18393
2852 1 8 . 1 1 24 24 HIS C C 38 174.890 174.890 175.045 -0.155 18393
2853 1 8 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.062 -1.201 18393
2854 1 8 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.639 0.721 18393
2855 1 8 . 1 1 25 25 ALA N N 39 128.271 128.271 122.119 6.152 18393
2856 1 8 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.505 -0.031 18393
2857 1 8 . 1 1 25 25 ALA C C 39 174.351 174.351 176.069 -1.718 18393
2858 1 8 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.038 0.278 18393
2859 1 8 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.486 -1.375 18393
2860 1 8 . 1 1 25 25 ALA H H 39 7.697 7.697 7.815 -0.118 18393
2861 1 8 . 1 1 26 26 LYS N N 40 121.927 121.927 120.332 1.595 18393
2862 1 8 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.210 -0.092 18393
2863 1 8 . 1 1 26 26 LYS C C 40 177.551 177.551 175.052 2.499 18393
2864 1 8 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.364 0.781 18393
2865 1 8 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.384 0.688 18393
2866 1 8 . 1 1 26 26 LYS H H 40 7.990 7.990 7.447 0.543 18393
2867 1 8 . 1 1 27 27 ARG N N 41 119.572 119.572 118.108 1.464 18393
2868 1 8 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.321 0.317 18393
2869 1 8 . 1 1 27 27 ARG C C 41 174.770 174.770 175.362 -0.592 18393
2870 1 8 . 1 1 27 27 ARG CA C 41 53.478 53.478 54.331 -0.853 18393
2871 1 8 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.478 2.912 18393
2872 1 8 . 1 1 27 27 ARG H H 41 8.296 8.296 7.523 0.773 18393
2873 1 8 . 1 1 28 28 PHE N N 42 120.381 120.381 122.483 -2.102 18393
2874 1 8 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.237 -0.190 18393
2875 1 8 . 1 1 28 28 PHE C C 42 174.407 174.407 175.912 -1.505 18393
2876 1 8 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.132 1.894 18393
2877 1 8 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.471 2.658 18393
2878 1 8 . 1 1 28 28 PHE H H 42 9.339 9.339 9.017 0.322 18393
2879 1 8 . 1 1 29 29 THR N N 43 117.999 117.999 120.549 -2.550 18393
2880 1 8 . 1 1 29 29 THR HA H 43 4.704 4.704 4.814 -0.110 18393
2881 1 8 . 1 1 29 29 THR C C 43 173.713 173.713 172.921 0.792 18393
2882 1 8 . 1 1 29 29 THR CA C 43 62.117 62.117 61.869 0.248 18393
2883 1 8 . 1 1 29 29 THR CB C 43 70.104 70.104 70.441 -0.337 18393
2884 1 8 . 1 1 29 29 THR H H 43 8.949 8.949 9.059 -0.110 18393
2885 1 8 . 1 1 30 30 PHE N N 44 129.592 129.592 126.703 2.889 18393
2886 1 8 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.956 0.439 18393
2887 1 8 . 1 1 30 30 PHE C C 44 173.221 173.221 172.763 0.458 18393
2888 1 8 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.190 0.233 18393
2889 1 8 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.708 1.209 18393
2890 1 8 . 1 1 30 30 PHE H H 44 10.048 10.048 8.824 1.224 18393
2891 1 8 . 1 1 31 31 GLY N N 45 105.921 105.921 109.600 -3.679 18393
2892 1 8 . 1 1 31 31 GLY C C 45 172.774 172.774 171.494 1.280 18393
2893 1 8 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.358 0.180 18393
2894 1 8 . 1 1 31 31 GLY H H 45 9.290 9.290 7.797 1.493 18393
2895 1 8 . 1 1 32 32 VAL N N 46 121.311 121.311 121.137 0.174 18393
2896 1 8 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.708 0.642 18393
2897 1 8 . 1 1 32 32 VAL C C 46 171.140 171.140 174.875 -3.735 18393
2898 1 8 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.625 -0.793 18393
2899 1 8 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.347 2.040 18393
2900 1 8 . 1 1 32 32 VAL H H 46 8.906 8.906 7.737 1.169 18393
2901 1 8 . 1 1 33 33 ARG N N 47 122.102 122.102 120.607 1.495 18393
2902 1 8 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.110 -0.539 18393
2903 1 8 . 1 1 33 33 ARG C C 47 173.683 173.683 174.375 -0.692 18393
2904 1 8 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.675 0.283 18393
2905 1 8 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.053 1.663 18393
2906 1 8 . 1 1 33 33 ARG H H 47 8.008 8.008 7.851 0.157 18393
2907 1 8 . 1 1 34 34 VAL N N 48 117.391 117.391 119.954 -2.563 18393
2908 1 8 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.537 0.250 18393
2909 1 8 . 1 1 34 34 VAL C C 48 172.777 172.777 173.624 -0.847 18393
2910 1 8 . 1 1 34 34 VAL CA C 48 59.970 59.970 59.896 0.074 18393
2911 1 8 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.893 0.419 18393
2912 1 8 . 1 1 34 34 VAL H H 48 8.103 8.103 9.121 -1.018 18393
2913 1 8 . 1 1 35 35 ASN N N 49 127.065 127.065 122.177 4.888 18393
2914 1 8 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.405 -0.869 18393
2915 1 8 . 1 1 35 35 ASN C C 49 174.221 174.221 174.178 0.043 18393
2916 1 8 . 1 1 35 35 ASN CA C 49 50.607 50.607 50.978 -0.371 18393
2917 1 8 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.686 -2.944 18393
2918 1 8 . 1 1 35 35 ASN H H 49 8.543 8.543 8.586 -0.043 18393
2919 1 8 . 1 1 36 36 THR N N 50 114.402 114.402 114.905 -0.503 18393
2920 1 8 . 1 1 36 36 THR HA H 50 2.159 2.159 2.981 -0.822 18393
2921 1 8 . 1 1 36 36 THR C C 50 175.168 175.168 175.593 -0.425 18393
2922 1 8 . 1 1 36 36 THR CA C 50 61.126 61.126 61.465 -0.339 18393
2923 1 8 . 1 1 36 36 THR CB C 50 69.987 69.987 68.854 1.133 18393
2924 1 8 . 1 1 36 36 THR H H 50 6.801 6.801 7.757 -0.956 18393
2925 1 8 . 1 1 37 37 SER N N 51 114.587 114.587 119.185 -4.598 18393
2926 1 8 . 1 1 37 37 SER HA H 51 4.105 4.105 4.044 0.061 18393
2927 1 8 . 1 1 37 37 SER C C 51 174.760 174.760 174.670 0.090 18393
2928 1 8 . 1 1 37 37 SER CA C 51 59.958 59.958 61.151 -1.193 18393
2929 1 8 . 1 1 37 37 SER CB C 51 63.115 63.115 63.170 -0.055 18393
2930 1 8 . 1 1 37 37 SER H H 51 6.797 6.797 8.668 -1.871 18393
2931 1 8 . 1 1 38 38 ASP N N 52 117.329 117.329 117.031 0.298 18393
2932 1 8 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.616 -0.027 18393
2933 1 8 . 1 1 38 38 ASP C C 52 177.236 177.236 176.545 0.691 18393
2934 1 8 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.433 0.117 18393
2935 1 8 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.920 -0.314 18393
2936 1 8 . 1 1 38 38 ASP H H 52 8.784 8.784 8.069 0.715 18393
2937 1 8 . 1 1 39 39 ARG N N 53 118.330 118.330 120.427 -2.097 18393
2938 1 8 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.398 0.098 18393
2939 1 8 . 1 1 39 39 ARG C C 53 176.062 176.062 176.198 -0.136 18393
2940 1 8 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.003 -0.953 18393
2941 1 8 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.009 -1.568 18393
2942 1 8 . 1 1 39 39 ARG H H 53 7.666 7.666 7.796 -0.130 18393
2943 1 8 . 1 1 40 40 GLY N N 54 110.510 110.510 106.957 3.553 18393
2944 1 8 . 1 1 40 40 GLY C C 54 177.680 177.680 172.671 5.009 18393
2945 1 8 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.138 0.539 18393
2946 1 8 . 1 1 40 40 GLY H H 54 7.248 7.248 7.666 -0.418 18393
2947 1 8 . 1 1 41 41 TRP N N 55 123.328 123.328 123.192 0.136 18393
2948 1 8 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.715 0.204 18393
2949 1 8 . 1 1 41 41 TRP C C 55 178.873 178.873 177.406 1.467 18393
2950 1 8 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.529 0.588 18393
2951 1 8 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.267 0.507 18393
2952 1 8 . 1 1 41 41 TRP H H 55 8.289 8.289 8.289 -0.000 18393
2953 1 8 . 1 1 42 42 THR N N 56 114.627 114.627 117.659 -3.032 18393
2954 1 8 . 1 1 42 42 THR HA H 56 4.329 4.329 4.373 -0.044 18393
2955 1 8 . 1 1 42 42 THR C C 56 175.261 175.261 174.822 0.439 18393
2956 1 8 . 1 1 42 42 THR CA C 56 61.698 61.698 61.250 0.448 18393
2957 1 8 . 1 1 42 42 THR CB C 56 72.359 72.359 69.948 2.411 18393
2958 1 8 . 1 1 42 42 THR H H 56 8.972 8.972 8.621 0.351 18393
2959 1 8 . 1 1 43 43 ASP N N 57 120.151 120.151 120.375 -0.224 18393
2960 1 8 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.391 0.054 18393
2961 1 8 . 1 1 43 43 ASP C C 57 175.710 175.710 176.450 -0.740 18393
2962 1 8 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.208 1.169 18393
2963 1 8 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.965 -0.092 18393
2964 1 8 . 1 1 43 43 ASP H H 57 8.379 8.379 8.361 0.018 18393
2965 1 8 . 1 1 44 44 GLU N N 58 122.449 122.449 123.186 -0.737 18393
2966 1 8 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.510 -0.045 18393
2967 1 8 . 1 1 44 44 GLU C C 58 176.412 176.412 176.805 -0.393 18393
2968 1 8 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.874 -1.403 18393
2969 1 8 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.186 0.872 18393
2970 1 8 . 1 1 44 44 GLU H H 58 8.581 8.581 8.525 0.056 18393
2971 1 8 . 1 1 45 45 CYS N N 59 126.725 126.725 127.029 -0.304 18393
2972 1 8 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.536 0.159 18393
2973 1 8 . 1 1 45 45 CYS C C 59 173.364 173.364 174.126 -0.762 18393
2974 1 8 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.511 1.409 18393
2975 1 8 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.076 3.608 18393
2976 1 8 . 1 1 45 45 CYS H H 59 8.671 8.671 8.921 -0.250 18393
2977 1 8 . 1 1 46 46 ILE N N 60 126.614 126.614 126.996 -0.382 18393
2978 1 8 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.186 0.507 18393
2979 1 8 . 1 1 46 46 ILE C C 60 176.175 176.175 176.731 -0.556 18393
2980 1 8 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.221 -0.445 18393
2981 1 8 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.062 0.284 18393
2982 1 8 . 1 1 46 46 ILE H H 60 8.735 8.735 8.143 0.592 18393
2983 1 8 . 1 1 47 47 GLY N N 61 112.366 112.366 116.929 -4.563 18393
2984 1 8 . 1 1 47 47 GLY C C 61 171.844 171.844 173.547 -1.703 18393
2985 1 8 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.130 0.153 18393
2986 1 8 . 1 1 47 47 GLY H H 61 8.610 8.610 8.725 -0.115 18393
2987 1 8 . 1 1 48 48 GLU N N 62 115.030 115.030 120.458 -5.428 18393
2988 1 8 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.672 -0.127 18393
2989 1 8 . 1 1 48 48 GLU C C 62 174.927 174.927 174.590 0.337 18393
2990 1 8 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.991 -0.109 18393
2991 1 8 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.181 0.168 18393
2992 1 8 . 1 1 48 48 GLU H H 62 8.214 8.214 8.005 0.209 18393
2993 1 8 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.513 0.351 18393
2994 1 8 . 1 1 49 49 PRO C C 63 178.286 178.286 176.134 2.152 18393
2995 1 8 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.609 -1.349 18393
2996 1 8 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.809 -0.542 18393
2997 1 8 . 1 1 50 50 MET N N 64 123.505 123.505 124.221 -0.716 18393
2998 1 8 . 1 1 50 50 MET HA H 64 5.530 5.530 4.968 0.562 18393
2999 1 8 . 1 1 50 50 MET C C 64 176.337 176.337 174.445 1.892 18393
3000 1 8 . 1 1 50 50 MET CA C 64 51.674 51.674 51.771 -0.097 18393
3001 1 8 . 1 1 50 50 MET CB C 64 37.597 37.597 34.078 3.519 18393
3002 1 8 . 1 1 50 50 MET H H 64 9.267 9.267 8.914 0.353 18393
3003 1 8 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.364 0.722 18393
3004 1 8 . 1 1 51 51 PRO C C 65 174.862 174.862 175.375 -0.513 18393
3005 1 8 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.858 0.808 18393
3006 1 8 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.771 0.756 18393
3007 1 8 . 1 1 52 52 SER N N 66 109.598 109.598 113.307 -3.709 18393
3008 1 8 . 1 1 52 52 SER HA H 66 4.813 4.813 4.966 -0.153 18393
3009 1 8 . 1 1 52 52 SER C C 66 173.368 173.368 174.516 -1.148 18393
3010 1 8 . 1 1 52 52 SER CA C 66 55.463 55.463 57.013 -1.550 18393
3011 1 8 . 1 1 52 52 SER CB C 66 66.775 66.775 66.715 0.061 18393
3012 1 8 . 1 1 52 52 SER H H 66 7.165 7.165 7.326 -0.161 18393
3013 1 8 . 1 1 53 53 VAL N N 67 124.347 124.347 122.239 2.108 18393
3014 1 8 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.978 -1.148 18393
3015 1 8 . 1 1 53 53 VAL C C 67 177.116 177.116 176.796 0.320 18393
3016 1 8 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.114 1.715 18393
3017 1 8 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.715 -0.391 18393
3018 1 8 . 1 1 53 53 VAL H H 67 8.522 8.522 8.802 -0.280 18393
3019 1 8 . 1 1 54 54 LYS N N 68 118.639 118.639 119.810 -1.171 18393
3020 1 8 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.136 -0.667 18393
3021 1 8 . 1 1 54 54 LYS C C 68 178.286 178.286 178.777 -0.491 18393
3022 1 8 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.155 1.195 18393
3023 1 8 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.474 0.890 18393
3024 1 8 . 1 1 54 54 LYS H H 68 8.098 8.098 8.693 -0.595 18393
3025 1 8 . 1 1 55 55 LYS N N 69 115.388 115.388 118.128 -2.740 18393
3026 1 8 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.667 -0.573 18393
3027 1 8 . 1 1 55 55 LYS C C 69 179.694 179.694 178.561 1.133 18393
3028 1 8 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.294 0.534 18393
3029 1 8 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.018 0.821 18393
3030 1 8 . 1 1 55 55 LYS H H 69 7.499 7.499 7.560 -0.061 18393
3031 1 8 . 1 1 56 56 ALA N N 70 124.226 124.226 124.775 -0.549 18393
3032 1 8 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.168 -0.019 18393
3033 1 8 . 1 1 56 56 ALA C C 70 181.217 181.217 179.493 1.724 18393
3034 1 8 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.294 0.423 18393
3035 1 8 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.478 2.032 18393
3036 1 8 . 1 1 56 56 ALA H H 70 8.296 8.296 7.849 0.447 18393
3037 1 8 . 1 1 57 57 LYS N N 71 120.522 120.522 118.204 2.318 18393
3038 1 8 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.172 -0.529 18393
3039 1 8 . 1 1 57 57 LYS C C 71 177.937 177.937 178.991 -1.054 18393
3040 1 8 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.249 0.838 18393
3041 1 8 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.935 0.193 18393
3042 1 8 . 1 1 57 57 LYS H H 71 8.385 8.385 7.516 0.869 18393
3043 1 8 . 1 1 58 58 ASP N N 72 119.428 119.428 119.897 -0.469 18393
3044 1 8 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.430 -0.124 18393
3045 1 8 . 1 1 58 58 ASP C C 72 177.042 177.042 178.883 -1.841 18393
3046 1 8 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.554 0.586 18393
3047 1 8 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.450 -0.325 18393
3048 1 8 . 1 1 58 58 ASP H H 72 8.029 8.029 7.734 0.295 18393
3049 1 8 . 1 1 59 59 SER N N 73 111.435 111.435 115.549 -4.114 18393
3050 1 8 . 1 1 59 59 SER HA H 73 4.243 4.243 4.178 0.065 18393
3051 1 8 . 1 1 59 59 SER C C 73 177.000 177.000 176.361 0.639 18393
3052 1 8 . 1 1 59 59 SER CA C 73 63.579 63.579 61.236 2.343 18393
3053 1 8 . 1 1 59 59 SER CB C 73 60.947 60.947 62.897 -1.950 18393
3054 1 8 . 1 1 59 59 SER H H 73 7.785 7.785 8.161 -0.376 18393
3055 1 8 . 1 1 60 60 ALA N N 74 120.363 120.363 123.778 -3.415 18393
3056 1 8 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.990 -0.027 18393
3057 1 8 . 1 1 60 60 ALA C C 74 178.170 178.170 179.381 -1.211 18393
3058 1 8 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.039 0.459 18393
3059 1 8 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.406 -0.495 18393
3060 1 8 . 1 1 60 60 ALA H H 74 7.472 7.472 7.770 -0.298 18393
3061 1 8 . 1 1 61 61 ALA N N 75 118.116 118.116 121.771 -3.655 18393
3062 1 8 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.078 -0.130 18393
3063 1 8 . 1 1 61 61 ALA C C 75 179.341 179.341 179.525 -0.184 18393
3064 1 8 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.291 0.369 18393
3065 1 8 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.425 0.517 18393
3066 1 8 . 1 1 61 61 ALA H H 75 8.653 8.653 8.722 -0.069 18393
3067 1 8 . 1 1 62 62 VAL N N 76 115.858 115.858 117.707 -1.849 18393
3068 1 8 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.773 -0.117 18393
3069 1 8 . 1 1 62 62 VAL C C 76 178.051 178.051 178.154 -0.103 18393
3070 1 8 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.584 0.067 18393
3071 1 8 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.127 0.720 18393
3072 1 8 . 1 1 62 62 VAL H H 76 8.124 8.124 7.951 0.173 18393
3073 1 8 . 1 1 63 63 LEU N N 77 119.881 119.881 118.985 0.896 18393
3074 1 8 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.423 -0.234 18393
3075 1 8 . 1 1 63 63 LEU C C 77 179.692 179.692 179.813 -0.121 18393
3076 1 8 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.130 0.454 18393
3077 1 8 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.571 0.345 18393
3078 1 8 . 1 1 63 63 LEU H H 77 7.038 7.038 7.262 -0.224 18393
3079 1 8 . 1 1 64 64 LEU N N 78 122.083 122.083 121.943 0.140 18393
3080 1 8 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.134 0.394 18393
3081 1 8 . 1 1 64 64 LEU C C 78 178.601 178.601 178.578 0.023 18393
3082 1 8 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.845 -0.387 18393
3083 1 8 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.935 -0.681 18393
3084 1 8 . 1 1 64 64 LEU H H 78 7.694 7.694 8.247 -0.553 18393
3085 1 8 . 1 1 65 65 LEU N N 79 120.548 120.548 118.523 2.025 18393
3086 1 8 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.007 -0.143 18393
3087 1 8 . 1 1 65 65 LEU C C 79 178.861 178.861 179.338 -0.477 18393
3088 1 8 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.185 0.292 18393
3089 1 8 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.359 0.259 18393
3090 1 8 . 1 1 65 65 LEU H H 79 8.671 8.671 8.566 0.105 18393
3091 1 8 . 1 1 66 66 GLU N N 80 117.398 117.398 118.416 -1.018 18393
3092 1 8 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.027 0.032 18393
3093 1 8 . 1 1 66 66 GLU C C 80 178.957 178.957 177.904 1.053 18393
3094 1 8 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.943 0.393 18393
3095 1 8 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.568 -0.187 18393
3096 1 8 . 1 1 66 66 GLU H H 80 7.613 7.613 7.476 0.137 18393
3097 1 8 . 1 1 67 67 LEU N N 81 120.633 120.633 120.157 0.476 18393
3098 1 8 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.120 0.040 18393
3099 1 8 . 1 1 67 67 LEU C C 81 180.162 180.162 179.034 1.128 18393
3100 1 8 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.747 0.366 18393
3101 1 8 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.352 -0.295 18393
3102 1 8 . 1 1 67 67 LEU H H 81 7.656 7.656 7.463 0.193 18393
3103 1 8 . 1 1 68 68 LEU N N 82 118.949 118.949 116.131 2.818 18393
3104 1 8 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.181 -0.018 18393
3105 1 8 . 1 1 68 68 LEU C C 82 178.289 178.289 177.559 0.730 18393
3106 1 8 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.105 0.750 18393
3107 1 8 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.135 0.883 18393
3108 1 8 . 1 1 68 68 LEU H H 82 8.583 8.583 8.512 0.071 18393
3109 1 8 . 1 1 69 69 ASN N N 83 116.570 116.570 114.966 1.604 18393
3110 1 8 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.716 0.013 18393
3111 1 8 . 1 1 69 69 ASN C C 83 174.784 174.784 175.298 -0.514 18393
3112 1 8 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.714 0.025 18393
3113 1 8 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.316 -0.168 18393
3114 1 8 . 1 1 69 69 ASN H H 83 7.920 7.920 7.739 0.181 18393
3115 1 8 . 1 1 70 70 LYS N N 84 120.363 120.363 119.027 1.336 18393
3116 1 8 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.452 -0.048 18393
3117 1 8 . 1 1 70 70 LYS C C 84 175.910 175.910 175.304 0.606 18393
3118 1 8 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.643 1.193 18393
3119 1 8 . 1 1 70 70 LYS CB C 84 32.999 32.999 33.338 -0.339 18393
3120 1 8 . 1 1 70 70 LYS H H 84 7.593 7.593 7.740 -0.147 18393
3121 1 9 . 1 1 2 2 ASP N N 16 119.381 119.381 120.966 -1.585 18393
3122 1 9 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.352 -0.012 18393
3123 1 9 . 1 1 2 2 ASP C C 16 178.935 178.935 177.827 1.108 18393
3124 1 9 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.487 0.221 18393
3125 1 9 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.954 -0.273 18393
3126 1 9 . 1 1 2 2 ASP H H 16 8.320 8.320 8.606 -0.286 18393
3127 1 9 . 1 1 3 3 ILE N N 17 121.475 121.475 119.488 1.987 18393
3128 1 9 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.836 -0.290 18393
3129 1 9 . 1 1 3 3 ILE C C 17 177.116 177.116 177.588 -0.472 18393
3130 1 9 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.267 0.966 18393
3131 1 9 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.528 0.173 18393
3132 1 9 . 1 1 3 3 ILE H H 17 7.793 7.793 7.962 -0.169 18393
3133 1 9 . 1 1 4 4 CYS N N 18 117.506 117.506 118.984 -1.478 18393
3134 1 9 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.350 -0.408 18393
3135 1 9 . 1 1 4 4 CYS C C 18 176.671 176.671 176.823 -0.152 18393
3136 1 9 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.205 2.419 18393
3137 1 9 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.687 -0.722 18393
3138 1 9 . 1 1 4 4 CYS H H 18 7.823 7.823 8.004 -0.181 18393
3139 1 9 . 1 1 5 5 LEU N N 19 118.832 118.832 121.778 -2.946 18393
3140 1 9 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.171 -0.075 18393
3141 1 9 . 1 1 5 5 LEU C C 19 180.698 180.698 179.338 1.360 18393
3142 1 9 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.886 0.051 18393
3143 1 9 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.924 0.142 18393
3144 1 9 . 1 1 5 5 LEU H H 19 8.101 8.101 8.232 -0.131 18393
3145 1 9 . 1 1 6 6 ARG N N 20 119.443 119.443 119.811 -0.368 18393
3146 1 9 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.011 -0.077 18393
3147 1 9 . 1 1 6 6 ARG C C 20 178.169 178.169 177.702 0.467 18393
3148 1 9 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.519 0.356 18393
3149 1 9 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.185 -0.205 18393
3150 1 9 . 1 1 6 6 ARG H H 20 7.934 7.934 7.782 0.152 18393
3151 1 9 . 1 1 7 7 LYS N N 21 116.636 116.636 116.594 0.042 18393
3152 1 9 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.896 -0.123 18393
3153 1 9 . 1 1 7 7 LYS C C 21 175.224 175.224 175.662 -0.438 18393
3154 1 9 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.132 -0.054 18393
3155 1 9 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.464 0.053 18393
3156 1 9 . 1 1 7 7 LYS H H 21 7.553 7.553 7.543 0.010 18393
3157 1 9 . 1 1 8 8 ASN N N 22 114.898 114.898 114.644 0.254 18393
3158 1 9 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.434 -0.132 18393
3159 1 9 . 1 1 8 8 ASN C C 22 174.073 174.073 174.740 -0.667 18393
3160 1 9 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.262 0.171 18393
3161 1 9 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.560 -0.543 18393
3162 1 9 . 1 1 8 8 ASN H H 22 7.640 7.640 7.468 0.172 18393
3163 1 9 . 1 1 9 9 TRP N N 23 120.563 120.563 119.580 0.983 18393
3164 1 9 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.059 0.181 18393
3165 1 9 . 1 1 9 9 TRP C C 23 173.601 173.601 175.246 -1.645 18393
3166 1 9 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.642 -2.822 18393
3167 1 9 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.455 1.119 18393
3168 1 9 . 1 1 9 9 TRP H H 23 8.692 8.692 7.572 1.120 18393
3169 1 9 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.483 -0.024 18393
3170 1 9 . 1 1 10 10 PRO C C 24 175.391 175.391 176.184 -0.793 18393
3171 1 9 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.490 -0.392 18393
3172 1 9 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.773 -1.190 18393
3173 1 9 . 1 1 11 11 MET N N 25 116.562 116.562 117.550 -0.988 18393
3174 1 9 . 1 1 11 11 MET HA H 25 4.751 4.751 4.731 0.020 18393
3175 1 9 . 1 1 11 11 MET C C 25 175.240 175.240 174.990 0.250 18393
3176 1 9 . 1 1 11 11 MET CA C 25 53.800 53.800 53.392 0.408 18393
3177 1 9 . 1 1 11 11 MET CB C 25 30.695 30.695 31.006 -0.311 18393
3178 1 9 . 1 1 11 11 MET H H 25 8.201 8.201 8.377 -0.176 18393
3179 1 9 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.667 -0.343 18393
3180 1 9 . 1 1 12 12 PRO C C 26 174.890 174.890 176.024 -1.134 18393
3181 1 9 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.628 0.853 18393
3182 1 9 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.705 0.020 18393
3183 1 9 . 1 1 13 13 SER N N 27 116.608 116.608 115.257 1.351 18393
3184 1 9 . 1 1 13 13 SER HA H 27 4.781 4.781 4.751 0.030 18393
3185 1 9 . 1 1 13 13 SER C C 27 173.365 173.365 173.449 -0.084 18393
3186 1 9 . 1 1 13 13 SER CA C 27 57.219 57.219 58.267 -1.048 18393
3187 1 9 . 1 1 13 13 SER CB C 27 64.227 64.227 63.967 0.260 18393
3188 1 9 . 1 1 13 13 SER H H 27 8.555 8.555 8.685 -0.130 18393
3189 1 9 . 1 1 14 14 TYR N N 28 125.256 125.256 124.144 1.112 18393
3190 1 9 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.124 0.497 18393
3191 1 9 . 1 1 14 14 TYR C C 28 176.175 176.175 174.696 1.479 18393
3192 1 9 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.872 -0.309 18393
3193 1 9 . 1 1 14 14 TYR CB C 28 41.861 41.861 41.070 0.791 18393
3194 1 9 . 1 1 14 14 TYR H H 28 8.939 8.939 8.669 0.270 18393
3195 1 9 . 1 1 15 15 ARG N N 29 120.540 120.540 125.505 -4.965 18393
3196 1 9 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.602 -0.060 18393
3197 1 9 . 1 1 15 15 ARG C C 29 173.134 173.134 174.453 -1.319 18393
3198 1 9 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.625 -0.805 18393
3199 1 9 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.257 0.464 18393
3200 1 9 . 1 1 15 15 ARG H H 29 9.159 9.159 9.364 -0.205 18393
3201 1 9 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.592 -1.695 18393
3202 1 9 . 1 1 16 16 CYS C C 30 174.180 174.180 175.246 -1.066 18393
3203 1 9 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.234 -1.515 18393
3204 1 9 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.259 -2.153 18393
3205 1 9 . 1 1 17 17 VAL N N 31 132.259 132.259 126.382 5.877 18393
3206 1 9 . 1 1 17 17 VAL HA H 31 3.651 3.651 3.981 -0.330 18393
3207 1 9 . 1 1 17 17 VAL C C 31 175.711 175.711 176.166 -0.455 18393
3208 1 9 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.409 -0.323 18393
3209 1 9 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.099 0.413 18393
3210 1 9 . 1 1 17 17 VAL H H 31 8.659 8.659 8.832 -0.173 18393
3211 1 9 . 1 1 18 18 LYS N N 32 118.630 118.630 118.235 0.395 18393
3212 1 9 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.778 -0.418 18393
3213 1 9 . 1 1 18 18 LYS C C 32 173.015 173.015 174.782 -1.767 18393
3214 1 9 . 1 1 18 18 LYS CA C 32 56.402 56.402 54.697 1.705 18393
3215 1 9 . 1 1 18 18 LYS CB C 32 36.004 36.004 36.884 -0.880 18393
3216 1 9 . 1 1 18 18 LYS H H 32 7.673 7.673 8.256 -0.583 18393
3217 1 9 . 1 1 19 19 GLU N N 33 125.800 125.800 118.764 7.036 18393
3218 1 9 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.933 -0.080 18393
3219 1 9 . 1 1 19 19 GLU C C 33 175.060 175.060 175.872 -0.812 18393
3220 1 9 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.386 -0.822 18393
3221 1 9 . 1 1 19 19 GLU CB C 33 32.137 32.137 31.955 0.182 18393
3222 1 9 . 1 1 19 19 GLU H H 33 8.431 8.431 8.468 -0.037 18393
3223 1 9 . 1 1 20 20 GLY N N 34 111.079 111.079 110.558 0.521 18393
3224 1 9 . 1 1 20 20 GLY C C 34 172.318 172.318 174.154 -1.836 18393
3225 1 9 . 1 1 20 20 GLY CA C 34 44.641 44.641 46.142 -1.501 18393
3226 1 9 . 1 1 20 20 GLY H H 34 8.345 8.345 9.047 -0.702 18393
3227 1 9 . 1 1 21 21 GLY N N 35 107.395 107.395 108.755 -1.360 18393
3228 1 9 . 1 1 21 21 GLY C C 35 171.757 171.757 171.717 0.040 18393
3229 1 9 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.906 -1.169 18393
3230 1 9 . 1 1 21 21 GLY H H 35 8.184 8.184 7.932 0.252 18393
3231 1 9 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.573 -0.097 18393
3232 1 9 . 1 1 22 22 PRO C C 36 177.171 177.171 177.674 -0.503 18393
3233 1 9 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.002 0.261 18393
3234 1 9 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.812 0.449 18393
3235 1 9 . 1 1 23 23 ALA N N 37 120.595 120.595 122.109 -1.514 18393
3236 1 9 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.026 -0.203 18393
3237 1 9 . 1 1 23 23 ALA C C 37 178.547 178.547 178.219 0.328 18393
3238 1 9 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.199 1.294 18393
3239 1 9 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.974 0.577 18393
3240 1 9 . 1 1 23 23 ALA H H 37 8.580 8.580 8.312 0.268 18393
3241 1 9 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.477 0.138 18393
3242 1 9 . 1 1 24 24 HIS C C 38 174.890 174.890 174.428 0.462 18393
3243 1 9 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.185 -0.324 18393
3244 1 9 . 1 1 24 24 HIS CB C 38 30.360 30.360 30.072 0.288 18393
3245 1 9 . 1 1 25 25 ALA N N 39 128.271 128.271 122.637 5.634 18393
3246 1 9 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.548 -0.074 18393
3247 1 9 . 1 1 25 25 ALA C C 39 174.351 174.351 175.437 -1.086 18393
3248 1 9 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.390 -0.074 18393
3249 1 9 . 1 1 25 25 ALA CB C 39 18.111 18.111 20.012 -1.901 18393
3250 1 9 . 1 1 25 25 ALA H H 39 7.697 7.697 7.635 0.062 18393
3251 1 9 . 1 1 26 26 LYS N N 40 121.927 121.927 122.409 -0.482 18393
3252 1 9 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.473 -0.355 18393
3253 1 9 . 1 1 26 26 LYS C C 40 177.551 177.551 174.925 2.626 18393
3254 1 9 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.068 1.076 18393
3255 1 9 . 1 1 26 26 LYS CB C 40 33.072 33.072 33.672 -0.600 18393
3256 1 9 . 1 1 26 26 LYS H H 40 7.990 7.990 8.530 -0.540 18393
3257 1 9 . 1 1 27 27 ARG N N 41 119.572 119.572 119.085 0.487 18393
3258 1 9 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.203 0.435 18393
3259 1 9 . 1 1 27 27 ARG C C 41 174.770 174.770 174.538 0.232 18393
3260 1 9 . 1 1 27 27 ARG CA C 41 53.478 53.478 54.396 -0.918 18393
3261 1 9 . 1 1 27 27 ARG CB C 41 33.390 33.390 29.699 3.691 18393
3262 1 9 . 1 1 27 27 ARG H H 41 8.296 8.296 7.543 0.753 18393
3263 1 9 . 1 1 28 28 PHE N N 42 120.381 120.381 122.674 -2.293 18393
3264 1 9 . 1 1 28 28 PHE HA H 42 5.047 5.047 4.928 0.119 18393
3265 1 9 . 1 1 28 28 PHE C C 42 174.407 174.407 175.617 -1.210 18393
3266 1 9 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.812 2.214 18393
3267 1 9 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.892 2.237 18393
3268 1 9 . 1 1 28 28 PHE H H 42 9.339 9.339 8.832 0.507 18393
3269 1 9 . 1 1 29 29 THR N N 43 117.999 117.999 119.381 -1.382 18393
3270 1 9 . 1 1 29 29 THR HA H 43 4.704 4.704 4.768 -0.064 18393
3271 1 9 . 1 1 29 29 THR C C 43 173.713 173.713 172.727 0.986 18393
3272 1 9 . 1 1 29 29 THR CA C 43 62.117 62.117 61.758 0.359 18393
3273 1 9 . 1 1 29 29 THR CB C 43 70.104 70.104 71.045 -0.941 18393
3274 1 9 . 1 1 29 29 THR H H 43 8.949 8.949 8.471 0.478 18393
3275 1 9 . 1 1 30 30 PHE N N 44 129.592 129.592 127.163 2.429 18393
3276 1 9 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.939 0.456 18393
3277 1 9 . 1 1 30 30 PHE C C 44 173.221 173.221 172.945 0.276 18393
3278 1 9 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.678 0.745 18393
3279 1 9 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.512 1.405 18393
3280 1 9 . 1 1 30 30 PHE H H 44 10.048 10.048 8.903 1.145 18393
3281 1 9 . 1 1 31 31 GLY N N 45 105.921 105.921 110.582 -4.661 18393
3282 1 9 . 1 1 31 31 GLY C C 45 172.774 172.774 171.207 1.567 18393
3283 1 9 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.313 0.225 18393
3284 1 9 . 1 1 31 31 GLY H H 45 9.290 9.290 7.996 1.294 18393
3285 1 9 . 1 1 32 32 VAL N N 46 121.311 121.311 123.133 -1.822 18393
3286 1 9 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.751 0.599 18393
3287 1 9 . 1 1 32 32 VAL C C 46 171.140 171.140 173.630 -2.490 18393
3288 1 9 . 1 1 32 32 VAL CA C 46 58.832 58.832 58.495 0.337 18393
3289 1 9 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.604 1.783 18393
3290 1 9 . 1 1 32 32 VAL H H 46 8.906 8.906 7.937 0.969 18393
3291 1 9 . 1 1 33 33 ARG N N 47 122.102 122.102 124.558 -2.456 18393
3292 1 9 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.118 -0.547 18393
3293 1 9 . 1 1 33 33 ARG C C 47 173.683 173.683 174.231 -0.548 18393
3294 1 9 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.158 0.800 18393
3295 1 9 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.853 1.863 18393
3296 1 9 . 1 1 33 33 ARG H H 47 8.008 8.008 7.845 0.163 18393
3297 1 9 . 1 1 34 34 VAL N N 48 117.391 117.391 119.361 -1.970 18393
3298 1 9 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.484 0.303 18393
3299 1 9 . 1 1 34 34 VAL C C 48 172.777 172.777 173.755 -0.978 18393
3300 1 9 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.631 -0.661 18393
3301 1 9 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.412 -0.100 18393
3302 1 9 . 1 1 34 34 VAL H H 48 8.103 8.103 9.169 -1.066 18393
3303 1 9 . 1 1 35 35 ASN N N 49 127.065 127.065 121.353 5.712 18393
3304 1 9 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.446 -0.910 18393
3305 1 9 . 1 1 35 35 ASN C C 49 174.221 174.221 174.076 0.145 18393
3306 1 9 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.076 -0.469 18393
3307 1 9 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.665 -2.923 18393
3308 1 9 . 1 1 35 35 ASN H H 49 8.543 8.543 8.733 -0.190 18393
3309 1 9 . 1 1 36 36 THR N N 50 114.402 114.402 115.572 -1.170 18393
3310 1 9 . 1 1 36 36 THR HA H 50 2.159 2.159 2.804 -0.645 18393
3311 1 9 . 1 1 36 36 THR C C 50 175.168 175.168 174.994 0.174 18393
3312 1 9 . 1 1 36 36 THR CA C 50 61.126 61.126 61.461 -0.335 18393
3313 1 9 . 1 1 36 36 THR CB C 50 69.987 69.987 68.867 1.120 18393
3314 1 9 . 1 1 36 36 THR H H 50 6.801 6.801 7.952 -1.151 18393
3315 1 9 . 1 1 37 37 SER N N 51 114.587 114.587 120.163 -5.576 18393
3316 1 9 . 1 1 37 37 SER HA H 51 4.105 4.105 4.030 0.075 18393
3317 1 9 . 1 1 37 37 SER C C 51 174.760 174.760 174.720 0.040 18393
3318 1 9 . 1 1 37 37 SER CA C 51 59.958 59.958 61.177 -1.219 18393
3319 1 9 . 1 1 37 37 SER CB C 51 63.115 63.115 62.922 0.193 18393
3320 1 9 . 1 1 37 37 SER H H 51 6.797 6.797 8.506 -1.709 18393
3321 1 9 . 1 1 38 38 ASP N N 52 117.329 117.329 119.244 -1.915 18393
3322 1 9 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.578 0.011 18393
3323 1 9 . 1 1 38 38 ASP C C 52 177.236 177.236 176.495 0.741 18393
3324 1 9 . 1 1 38 38 ASP CA C 52 54.550 54.550 55.638 -1.088 18393
3325 1 9 . 1 1 38 38 ASP CB C 52 40.606 40.606 41.077 -0.471 18393
3326 1 9 . 1 1 38 38 ASP H H 52 8.784 8.784 8.364 0.420 18393
3327 1 9 . 1 1 39 39 ARG N N 53 118.330 118.330 116.070 2.260 18393
3328 1 9 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.488 0.008 18393
3329 1 9 . 1 1 39 39 ARG C C 53 176.062 176.062 176.244 -0.182 18393
3330 1 9 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.794 -0.744 18393
3331 1 9 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.578 -2.137 18393
3332 1 9 . 1 1 39 39 ARG H H 53 7.666 7.666 8.027 -0.361 18393
3333 1 9 . 1 1 40 40 GLY N N 54 110.510 110.510 107.447 3.063 18393
3334 1 9 . 1 1 40 40 GLY C C 54 177.680 177.680 172.626 5.054 18393
3335 1 9 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.165 0.512 18393
3336 1 9 . 1 1 40 40 GLY H H 54 7.248 7.248 7.894 -0.646 18393
3337 1 9 . 1 1 41 41 TRP N N 55 123.328 123.328 123.537 -0.209 18393
3338 1 9 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.741 0.178 18393
3339 1 9 . 1 1 41 41 TRP C C 55 178.873 178.873 177.420 1.453 18393
3340 1 9 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.410 0.707 18393
3341 1 9 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.442 0.332 18393
3342 1 9 . 1 1 41 41 TRP H H 55 8.289 8.289 8.252 0.037 18393
3343 1 9 . 1 1 42 42 THR N N 56 114.627 114.627 118.847 -4.220 18393
3344 1 9 . 1 1 42 42 THR HA H 56 4.329 4.329 4.372 -0.043 18393
3345 1 9 . 1 1 42 42 THR C C 56 175.261 175.261 174.639 0.622 18393
3346 1 9 . 1 1 42 42 THR CA C 56 61.698 61.698 61.347 0.351 18393
3347 1 9 . 1 1 42 42 THR CB C 56 72.359 72.359 69.827 2.532 18393
3348 1 9 . 1 1 42 42 THR H H 56 8.972 8.972 8.642 0.330 18393
3349 1 9 . 1 1 43 43 ASP N N 57 120.151 120.151 121.735 -1.584 18393
3350 1 9 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.452 -0.007 18393
3351 1 9 . 1 1 43 43 ASP C C 57 175.710 175.710 176.387 -0.677 18393
3352 1 9 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.973 0.404 18393
3353 1 9 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.214 -0.342 18393
3354 1 9 . 1 1 43 43 ASP H H 57 8.379 8.379 8.375 0.004 18393
3355 1 9 . 1 1 44 44 GLU N N 58 122.449 122.449 124.232 -1.783 18393
3356 1 9 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.331 0.134 18393
3357 1 9 . 1 1 44 44 GLU C C 58 176.412 176.412 176.567 -0.155 18393
3358 1 9 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.897 -1.426 18393
3359 1 9 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.805 1.253 18393
3360 1 9 . 1 1 44 44 GLU H H 58 8.581 8.581 8.573 0.008 18393
3361 1 9 . 1 1 45 45 CYS N N 59 126.725 126.725 128.000 -1.275 18393
3362 1 9 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.488 0.207 18393
3363 1 9 . 1 1 45 45 CYS C C 59 173.364 173.364 174.100 -0.736 18393
3364 1 9 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.960 0.960 18393
3365 1 9 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.496 3.188 18393
3366 1 9 . 1 1 45 45 CYS H H 59 8.671 8.671 8.972 -0.301 18393
3367 1 9 . 1 1 46 46 ILE N N 60 126.614 126.614 127.097 -0.483 18393
3368 1 9 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.305 0.388 18393
3369 1 9 . 1 1 46 46 ILE C C 60 176.175 176.175 177.185 -1.010 18393
3370 1 9 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.270 -0.494 18393
3371 1 9 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.936 0.410 18393
3372 1 9 . 1 1 46 46 ILE H H 60 8.735 8.735 8.199 0.536 18393
3373 1 9 . 1 1 47 47 GLY N N 61 112.366 112.366 117.930 -5.564 18393
3374 1 9 . 1 1 47 47 GLY C C 61 171.844 171.844 173.286 -1.442 18393
3375 1 9 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.445 -0.162 18393
3376 1 9 . 1 1 47 47 GLY H H 61 8.610 8.610 8.690 -0.080 18393
3377 1 9 . 1 1 48 48 GLU N N 62 115.030 115.030 120.964 -5.934 18393
3378 1 9 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.598 -0.053 18393
3379 1 9 . 1 1 48 48 GLU C C 62 174.927 174.927 174.957 -0.030 18393
3380 1 9 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.072 -0.190 18393
3381 1 9 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.332 0.017 18393
3382 1 9 . 1 1 48 48 GLU H H 62 8.214 8.214 8.129 0.085 18393
3383 1 9 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.435 0.429 18393
3384 1 9 . 1 1 49 49 PRO C C 63 178.286 178.286 176.102 2.184 18393
3385 1 9 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.613 -1.353 18393
3386 1 9 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.610 -0.343 18393
3387 1 9 . 1 1 50 50 MET N N 64 123.505 123.505 125.223 -1.718 18393
3388 1 9 . 1 1 50 50 MET HA H 64 5.530 5.530 4.910 0.620 18393
3389 1 9 . 1 1 50 50 MET C C 64 176.337 176.337 174.863 1.474 18393
3390 1 9 . 1 1 50 50 MET CA C 64 51.674 51.674 51.661 0.013 18393
3391 1 9 . 1 1 50 50 MET CB C 64 37.597 37.597 34.046 3.551 18393
3392 1 9 . 1 1 50 50 MET H H 64 9.267 9.267 8.710 0.557 18393
3393 1 9 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.386 0.700 18393
3394 1 9 . 1 1 51 51 PRO C C 65 174.862 174.862 175.819 -0.957 18393
3395 1 9 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.822 0.844 18393
3396 1 9 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.429 1.098 18393
3397 1 9 . 1 1 52 52 SER N N 66 109.598 109.598 112.331 -2.733 18393
3398 1 9 . 1 1 52 52 SER HA H 66 4.813 4.813 4.925 -0.112 18393
3399 1 9 . 1 1 52 52 SER C C 66 173.368 173.368 174.848 -1.480 18393
3400 1 9 . 1 1 52 52 SER CA C 66 55.463 55.463 56.474 -1.011 18393
3401 1 9 . 1 1 52 52 SER CB C 66 66.775 66.775 65.586 1.189 18393
3402 1 9 . 1 1 52 52 SER H H 66 7.165 7.165 7.136 0.029 18393
3403 1 9 . 1 1 53 53 VAL N N 67 124.347 124.347 123.132 1.215 18393
3404 1 9 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.089 -1.259 18393
3405 1 9 . 1 1 53 53 VAL C C 67 177.116 177.116 176.664 0.452 18393
3406 1 9 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.852 1.977 18393
3407 1 9 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.791 -0.467 18393
3408 1 9 . 1 1 53 53 VAL H H 67 8.522 8.522 8.952 -0.430 18393
3409 1 9 . 1 1 54 54 LYS N N 68 118.639 118.639 120.623 -1.984 18393
3410 1 9 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.014 -0.545 18393
3411 1 9 . 1 1 54 54 LYS C C 68 178.286 178.286 178.082 0.204 18393
3412 1 9 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.510 0.840 18393
3413 1 9 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.499 -0.135 18393
3414 1 9 . 1 1 54 54 LYS H H 68 8.098 8.098 7.699 0.399 18393
3415 1 9 . 1 1 55 55 LYS N N 69 115.388 115.388 117.147 -1.759 18393
3416 1 9 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.404 -0.310 18393
3417 1 9 . 1 1 55 55 LYS C C 69 179.694 179.694 178.382 1.312 18393
3418 1 9 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.074 0.754 18393
3419 1 9 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.013 0.826 18393
3420 1 9 . 1 1 55 55 LYS H H 69 7.499 7.499 7.642 -0.143 18393
3421 1 9 . 1 1 56 56 ALA N N 70 124.226 124.226 124.458 -0.232 18393
3422 1 9 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.158 -0.009 18393
3423 1 9 . 1 1 56 56 ALA C C 70 181.217 181.217 179.956 1.261 18393
3424 1 9 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.242 0.474 18393
3425 1 9 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.372 2.138 18393
3426 1 9 . 1 1 56 56 ALA H H 70 8.296 8.296 7.940 0.356 18393
3427 1 9 . 1 1 57 57 LYS N N 71 120.522 120.522 118.758 1.764 18393
3428 1 9 . 1 1 57 57 LYS HA H 71 3.643 3.643 3.909 -0.266 18393
3429 1 9 . 1 1 57 57 LYS C C 71 177.937 177.937 178.798 -0.861 18393
3430 1 9 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.343 0.744 18393
3431 1 9 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.912 0.216 18393
3432 1 9 . 1 1 57 57 LYS H H 71 8.385 8.385 7.506 0.879 18393
3433 1 9 . 1 1 58 58 ASP N N 72 119.428 119.428 119.474 -0.046 18393
3434 1 9 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.409 -0.103 18393
3435 1 9 . 1 1 58 58 ASP C C 72 177.042 177.042 178.836 -1.794 18393
3436 1 9 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.731 0.409 18393
3437 1 9 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.770 -0.645 18393
3438 1 9 . 1 1 58 58 ASP H H 72 8.029 8.029 7.754 0.275 18393
3439 1 9 . 1 1 59 59 SER N N 73 111.435 111.435 115.352 -3.917 18393
3440 1 9 . 1 1 59 59 SER HA H 73 4.243 4.243 4.208 0.035 18393
3441 1 9 . 1 1 59 59 SER C C 73 177.000 177.000 176.503 0.497 18393
3442 1 9 . 1 1 59 59 SER CA C 73 63.579 63.579 61.770 1.809 18393
3443 1 9 . 1 1 59 59 SER CB C 73 60.947 60.947 62.726 -1.779 18393
3444 1 9 . 1 1 59 59 SER H H 73 7.785 7.785 8.104 -0.319 18393
3445 1 9 . 1 1 60 60 ALA N N 74 120.363 120.363 124.505 -4.142 18393
3446 1 9 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.116 -0.153 18393
3447 1 9 . 1 1 60 60 ALA C C 74 178.170 178.170 179.167 -0.997 18393
3448 1 9 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.609 0.889 18393
3449 1 9 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.349 -0.438 18393
3450 1 9 . 1 1 60 60 ALA H H 74 7.472 7.472 7.622 -0.150 18393
3451 1 9 . 1 1 61 61 ALA N N 75 118.116 118.116 121.418 -3.302 18393
3452 1 9 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.175 -0.227 18393
3453 1 9 . 1 1 61 61 ALA C C 75 179.341 179.341 179.695 -0.354 18393
3454 1 9 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.035 0.625 18393
3455 1 9 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.677 0.265 18393
3456 1 9 . 1 1 61 61 ALA H H 75 8.653 8.653 8.592 0.061 18393
3457 1 9 . 1 1 62 62 VAL N N 76 115.858 115.858 118.700 -2.842 18393
3458 1 9 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.753 -0.097 18393
3459 1 9 . 1 1 62 62 VAL C C 76 178.051 178.051 177.753 0.298 18393
3460 1 9 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.510 0.141 18393
3461 1 9 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.697 0.150 18393
3462 1 9 . 1 1 62 62 VAL H H 76 8.124 8.124 7.866 0.258 18393
3463 1 9 . 1 1 63 63 LEU N N 77 119.881 119.881 118.979 0.902 18393
3464 1 9 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.090 0.099 18393
3465 1 9 . 1 1 63 63 LEU C C 77 179.692 179.692 178.893 0.799 18393
3466 1 9 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.340 0.244 18393
3467 1 9 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.517 0.399 18393
3468 1 9 . 1 1 63 63 LEU H H 77 7.038 7.038 7.123 -0.085 18393
3469 1 9 . 1 1 64 64 LEU N N 78 122.083 122.083 121.452 0.631 18393
3470 1 9 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.161 0.367 18393
3471 1 9 . 1 1 64 64 LEU C C 78 178.601 178.601 178.430 0.171 18393
3472 1 9 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.697 -0.239 18393
3473 1 9 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.779 -0.525 18393
3474 1 9 . 1 1 64 64 LEU H H 78 7.694 7.694 8.263 -0.569 18393
3475 1 9 . 1 1 65 65 LEU N N 79 120.548 120.548 117.759 2.789 18393
3476 1 9 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.042 -0.178 18393
3477 1 9 . 1 1 65 65 LEU C C 79 178.861 178.861 178.179 0.682 18393
3478 1 9 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.946 0.531 18393
3479 1 9 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.320 0.298 18393
3480 1 9 . 1 1 65 65 LEU H H 79 8.671 8.671 7.815 0.856 18393
3481 1 9 . 1 1 66 66 GLU N N 80 117.398 117.398 115.810 1.588 18393
3482 1 9 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.234 -0.175 18393
3483 1 9 . 1 1 66 66 GLU C C 80 178.957 178.957 179.244 -0.287 18393
3484 1 9 . 1 1 66 66 GLU CA C 80 59.336 59.336 57.792 1.544 18393
3485 1 9 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.787 -0.406 18393
3486 1 9 . 1 1 66 66 GLU H H 80 7.613 7.613 7.515 0.098 18393
3487 1 9 . 1 1 67 67 LEU N N 81 120.633 120.633 122.486 -1.853 18393
3488 1 9 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.132 0.028 18393
3489 1 9 . 1 1 67 67 LEU C C 81 180.162 180.162 178.896 1.266 18393
3490 1 9 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.765 0.348 18393
3491 1 9 . 1 1 67 67 LEU CB C 81 42.057 42.057 41.943 0.114 18393
3492 1 9 . 1 1 67 67 LEU H H 81 7.656 7.656 7.984 -0.328 18393
3493 1 9 . 1 1 68 68 LEU N N 82 118.949 118.949 117.658 1.291 18393
3494 1 9 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.325 -0.162 18393
3495 1 9 . 1 1 68 68 LEU C C 82 178.289 178.289 178.013 0.276 18393
3496 1 9 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.154 1.702 18393
3497 1 9 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.533 1.485 18393
3498 1 9 . 1 1 68 68 LEU H H 82 8.583 8.583 8.542 0.041 18393
3499 1 9 . 1 1 69 69 ASN N N 83 116.570 116.570 116.271 0.299 18393
3500 1 9 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.731 -0.002 18393
3501 1 9 . 1 1 69 69 ASN C C 83 174.784 174.784 175.507 -0.723 18393
3502 1 9 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.573 0.166 18393
3503 1 9 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.035 0.113 18393
3504 1 9 . 1 1 69 69 ASN H H 83 7.920 7.920 7.599 0.321 18393
3505 1 9 . 1 1 70 70 LYS N N 84 120.363 120.363 119.741 0.622 18393
3506 1 9 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.653 -0.249 18393
3507 1 9 . 1 1 70 70 LYS C C 84 175.910 175.910 174.795 1.115 18393
3508 1 9 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.732 1.104 18393
3509 1 9 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.724 0.275 18393
3510 1 9 . 1 1 70 70 LYS H H 84 7.593 7.593 7.850 -0.257 18393
3511 1 10 . 1 1 2 2 ASP N N 16 119.381 119.381 121.464 -2.083 18393
3512 1 10 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.430 -0.090 18393
3513 1 10 . 1 1 2 2 ASP C C 16 178.935 178.935 178.205 0.730 18393
3514 1 10 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.930 -0.222 18393
3515 1 10 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.726 -0.045 18393
3516 1 10 . 1 1 2 2 ASP H H 16 8.320 8.320 8.648 -0.328 18393
3517 1 10 . 1 1 3 3 ILE N N 17 121.475 121.475 120.814 0.661 18393
3518 1 10 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.898 -0.352 18393
3519 1 10 . 1 1 3 3 ILE C C 17 177.116 177.116 178.336 -1.220 18393
3520 1 10 . 1 1 3 3 ILE CA C 17 65.233 65.233 63.851 1.382 18393
3521 1 10 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.407 0.294 18393
3522 1 10 . 1 1 3 3 ILE H H 17 7.793 7.793 7.982 -0.189 18393
3523 1 10 . 1 1 4 4 CYS N N 18 117.506 117.506 118.600 -1.094 18393
3524 1 10 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.279 -0.337 18393
3525 1 10 . 1 1 4 4 CYS C C 18 176.671 176.671 177.141 -0.470 18393
3526 1 10 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.947 1.677 18393
3527 1 10 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.833 -0.868 18393
3528 1 10 . 1 1 4 4 CYS H H 18 7.823 7.823 8.100 -0.277 18393
3529 1 10 . 1 1 5 5 LEU N N 19 118.832 118.832 122.304 -3.472 18393
3530 1 10 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.307 -0.211 18393
3531 1 10 . 1 1 5 5 LEU C C 19 180.698 180.698 179.349 1.349 18393
3532 1 10 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.838 0.099 18393
3533 1 10 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.866 0.200 18393
3534 1 10 . 1 1 5 5 LEU H H 19 8.101 8.101 8.540 -0.439 18393
3535 1 10 . 1 1 6 6 ARG N N 20 119.443 119.443 120.191 -0.748 18393
3536 1 10 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.960 -0.026 18393
3537 1 10 . 1 1 6 6 ARG C C 20 178.169 178.169 177.715 0.454 18393
3538 1 10 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.749 0.126 18393
3539 1 10 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.106 -0.126 18393
3540 1 10 . 1 1 6 6 ARG H H 20 7.934 7.934 8.223 -0.289 18393
3541 1 10 . 1 1 7 7 LYS N N 21 116.636 116.636 116.182 0.454 18393
3542 1 10 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.900 -0.127 18393
3543 1 10 . 1 1 7 7 LYS C C 21 175.224 175.224 175.653 -0.429 18393
3544 1 10 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.119 -0.041 18393
3545 1 10 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.556 -0.039 18393
3546 1 10 . 1 1 7 7 LYS H H 21 7.553 7.553 7.337 0.216 18393
3547 1 10 . 1 1 8 8 ASN N N 22 114.898 114.898 115.350 -0.452 18393
3548 1 10 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.397 -0.095 18393
3549 1 10 . 1 1 8 8 ASN C C 22 174.073 174.073 174.128 -0.055 18393
3550 1 10 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.591 -0.158 18393
3551 1 10 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.619 -0.602 18393
3552 1 10 . 1 1 8 8 ASN H H 22 7.640 7.640 7.765 -0.125 18393
3553 1 10 . 1 1 9 9 TRP N N 23 120.563 120.563 119.364 1.199 18393
3554 1 10 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.068 0.173 18393
3555 1 10 . 1 1 9 9 TRP C C 23 173.601 173.601 174.531 -0.930 18393
3556 1 10 . 1 1 9 9 TRP CA C 23 51.820 51.820 53.855 -2.035 18393
3557 1 10 . 1 1 9 9 TRP CB C 23 29.574 29.574 27.887 1.687 18393
3558 1 10 . 1 1 9 9 TRP H H 23 8.692 8.692 7.600 1.092 18393
3559 1 10 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.420 0.039 18393
3560 1 10 . 1 1 10 10 PRO C C 24 175.391 175.391 176.717 -1.326 18393
3561 1 10 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.685 -0.587 18393
3562 1 10 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.356 -0.774 18393
3563 1 10 . 1 1 11 11 MET N N 25 116.562 116.562 117.709 -1.147 18393
3564 1 10 . 1 1 11 11 MET HA H 25 4.751 4.751 4.733 0.018 18393
3565 1 10 . 1 1 11 11 MET C C 25 175.240 175.240 174.863 0.377 18393
3566 1 10 . 1 1 11 11 MET CA C 25 53.800 53.800 52.823 0.977 18393
3567 1 10 . 1 1 11 11 MET CB C 25 30.695 30.695 31.128 -0.433 18393
3568 1 10 . 1 1 11 11 MET H H 25 8.201 8.201 8.391 -0.190 18393
3569 1 10 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.649 -0.325 18393
3570 1 10 . 1 1 12 12 PRO C C 26 174.890 174.890 176.139 -1.249 18393
3571 1 10 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.913 0.568 18393
3572 1 10 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.631 0.094 18393
3573 1 10 . 1 1 13 13 SER N N 27 116.608 116.608 115.621 0.987 18393
3574 1 10 . 1 1 13 13 SER HA H 27 4.781 4.781 4.723 0.058 18393
3575 1 10 . 1 1 13 13 SER C C 27 173.365 173.365 173.595 -0.230 18393
3576 1 10 . 1 1 13 13 SER CA C 27 57.219 57.219 58.468 -1.248 18393
3577 1 10 . 1 1 13 13 SER CB C 27 64.227 64.227 64.004 0.223 18393
3578 1 10 . 1 1 13 13 SER H H 27 8.555 8.555 8.521 0.034 18393
3579 1 10 . 1 1 14 14 TYR N N 28 125.256 125.256 123.301 1.955 18393
3580 1 10 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.082 0.539 18393
3581 1 10 . 1 1 14 14 TYR C C 28 176.175 176.175 174.704 1.471 18393
3582 1 10 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.821 -0.258 18393
3583 1 10 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.814 1.047 18393
3584 1 10 . 1 1 14 14 TYR H H 28 8.939 8.939 8.611 0.328 18393
3585 1 10 . 1 1 15 15 ARG N N 29 120.540 120.540 126.026 -5.486 18393
3586 1 10 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.724 -0.182 18393
3587 1 10 . 1 1 15 15 ARG C C 29 173.134 173.134 175.048 -1.914 18393
3588 1 10 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.088 -0.268 18393
3589 1 10 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.184 0.537 18393
3590 1 10 . 1 1 15 15 ARG H H 29 9.159 9.159 9.044 0.115 18393
3591 1 10 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.533 -1.636 18393
3592 1 10 . 1 1 16 16 CYS C C 30 174.180 174.180 175.795 -1.615 18393
3593 1 10 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.557 -1.838 18393
3594 1 10 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.928 -1.822 18393
3595 1 10 . 1 1 17 17 VAL N N 31 132.259 132.259 123.482 8.777 18393
3596 1 10 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.231 -0.580 18393
3597 1 10 . 1 1 17 17 VAL C C 31 175.711 175.711 175.560 0.151 18393
3598 1 10 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.776 0.310 18393
3599 1 10 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.446 0.066 18393
3600 1 10 . 1 1 17 17 VAL H H 31 8.659 8.659 8.505 0.154 18393
3601 1 10 . 1 1 18 18 LYS N N 32 118.630 118.630 121.471 -2.841 18393
3602 1 10 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.603 -0.243 18393
3603 1 10 . 1 1 18 18 LYS C C 32 173.015 173.015 174.574 -1.559 18393
3604 1 10 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.724 0.678 18393
3605 1 10 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.196 0.808 18393
3606 1 10 . 1 1 18 18 LYS H H 32 7.673 7.673 8.169 -0.496 18393
3607 1 10 . 1 1 19 19 GLU N N 33 125.800 125.800 126.195 -0.395 18393
3608 1 10 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.769 0.084 18393
3609 1 10 . 1 1 19 19 GLU C C 33 175.060 175.060 175.761 -0.701 18393
3610 1 10 . 1 1 19 19 GLU CA C 33 54.564 54.564 54.687 -0.123 18393
3611 1 10 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.472 -0.335 18393
3612 1 10 . 1 1 19 19 GLU H H 33 8.431 8.431 8.672 -0.241 18393
3613 1 10 . 1 1 20 20 GLY N N 34 111.079 111.079 112.251 -1.172 18393
3614 1 10 . 1 1 20 20 GLY C C 34 172.318 172.318 174.310 -1.992 18393
3615 1 10 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.573 0.068 18393
3616 1 10 . 1 1 20 20 GLY H H 34 8.345 8.345 8.972 -0.627 18393
3617 1 10 . 1 1 21 21 GLY N N 35 107.395 107.395 109.118 -1.723 18393
3618 1 10 . 1 1 21 21 GLY C C 35 171.757 171.757 173.511 -1.754 18393
3619 1 10 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.994 -1.257 18393
3620 1 10 . 1 1 21 21 GLY H H 35 8.184 8.184 7.810 0.374 18393
3621 1 10 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.196 0.280 18393
3622 1 10 . 1 1 22 22 PRO C C 36 177.171 177.171 177.456 -0.285 18393
3623 1 10 . 1 1 22 22 PRO CA C 36 62.263 62.263 65.944 -3.681 18393
3624 1 10 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.908 0.353 18393
3625 1 10 . 1 1 23 23 ALA N N 37 120.595 120.595 114.424 6.171 18393
3626 1 10 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.285 -0.462 18393
3627 1 10 . 1 1 23 23 ALA C C 37 178.547 178.547 177.655 0.892 18393
3628 1 10 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.949 2.545 18393
3629 1 10 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.647 -0.096 18393
3630 1 10 . 1 1 23 23 ALA H H 37 8.580 8.580 7.799 0.781 18393
3631 1 10 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.596 0.019 18393
3632 1 10 . 1 1 24 24 HIS C C 38 174.890 174.890 174.454 0.436 18393
3633 1 10 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.061 -1.200 18393
3634 1 10 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.510 0.850 18393
3635 1 10 . 1 1 25 25 ALA N N 39 128.271 128.271 121.819 6.452 18393
3636 1 10 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.385 0.089 18393
3637 1 10 . 1 1 25 25 ALA C C 39 174.351 174.351 176.548 -2.197 18393
3638 1 10 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.700 -0.384 18393
3639 1 10 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.681 -1.570 18393
3640 1 10 . 1 1 25 25 ALA H H 39 7.697 7.697 7.752 -0.055 18393
3641 1 10 . 1 1 26 26 LYS N N 40 121.927 121.927 119.997 1.930 18393
3642 1 10 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.151 -0.033 18393
3643 1 10 . 1 1 26 26 LYS C C 40 177.551 177.551 175.085 2.466 18393
3644 1 10 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.506 1.638 18393
3645 1 10 . 1 1 26 26 LYS CB C 40 33.072 33.072 31.789 1.283 18393
3646 1 10 . 1 1 26 26 LYS H H 40 7.990 7.990 7.700 0.290 18393
3647 1 10 . 1 1 27 27 ARG N N 41 119.572 119.572 116.583 2.989 18393
3648 1 10 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.071 0.567 18393
3649 1 10 . 1 1 27 27 ARG C C 41 174.770 174.770 175.173 -0.403 18393
3650 1 10 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.139 -1.661 18393
3651 1 10 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.250 3.140 18393
3652 1 10 . 1 1 27 27 ARG H H 41 8.296 8.296 7.247 1.049 18393
3653 1 10 . 1 1 28 28 PHE N N 42 120.381 120.381 122.839 -2.458 18393
3654 1 10 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.107 -0.060 18393
3655 1 10 . 1 1 28 28 PHE C C 42 174.407 174.407 175.656 -1.249 18393
3656 1 10 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.495 1.531 18393
3657 1 10 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.313 1.816 18393
3658 1 10 . 1 1 28 28 PHE H H 42 9.339 9.339 8.790 0.549 18393
3659 1 10 . 1 1 29 29 THR N N 43 117.999 117.999 117.211 0.788 18393
3660 1 10 . 1 1 29 29 THR HA H 43 4.704 4.704 4.850 -0.146 18393
3661 1 10 . 1 1 29 29 THR C C 43 173.713 173.713 172.867 0.846 18393
3662 1 10 . 1 1 29 29 THR CA C 43 62.117 62.117 61.475 0.642 18393
3663 1 10 . 1 1 29 29 THR CB C 43 70.104 70.104 71.447 -1.343 18393
3664 1 10 . 1 1 29 29 THR H H 43 8.949 8.949 9.048 -0.099 18393
3665 1 10 . 1 1 30 30 PHE N N 44 129.592 129.592 125.239 4.353 18393
3666 1 10 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.013 0.382 18393
3667 1 10 . 1 1 30 30 PHE C C 44 173.221 173.221 172.811 0.410 18393
3668 1 10 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.405 0.018 18393
3669 1 10 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.597 1.320 18393
3670 1 10 . 1 1 30 30 PHE H H 44 10.048 10.048 8.753 1.295 18393
3671 1 10 . 1 1 31 31 GLY N N 45 105.921 105.921 109.089 -3.168 18393
3672 1 10 . 1 1 31 31 GLY C C 45 172.774 172.774 171.476 1.298 18393
3673 1 10 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.275 0.263 18393
3674 1 10 . 1 1 31 31 GLY H H 45 9.290 9.290 7.803 1.487 18393
3675 1 10 . 1 1 32 32 VAL N N 46 121.311 121.311 121.584 -0.273 18393
3676 1 10 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.649 0.701 18393
3677 1 10 . 1 1 32 32 VAL C C 46 171.140 171.140 174.845 -3.705 18393
3678 1 10 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.815 -0.983 18393
3679 1 10 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.267 2.120 18393
3680 1 10 . 1 1 32 32 VAL H H 46 8.906 8.906 7.832 1.074 18393
3681 1 10 . 1 1 33 33 ARG N N 47 122.102 122.102 120.736 1.366 18393
3682 1 10 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.122 -0.551 18393
3683 1 10 . 1 1 33 33 ARG C C 47 173.683 173.683 174.425 -0.742 18393
3684 1 10 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.531 0.427 18393
3685 1 10 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.819 1.897 18393
3686 1 10 . 1 1 33 33 ARG H H 47 8.008 8.008 7.853 0.155 18393
3687 1 10 . 1 1 34 34 VAL N N 48 117.391 117.391 120.429 -3.038 18393
3688 1 10 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.498 0.289 18393
3689 1 10 . 1 1 34 34 VAL C C 48 172.777 172.777 173.977 -1.200 18393
3690 1 10 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.530 -0.560 18393
3691 1 10 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.051 0.261 18393
3692 1 10 . 1 1 34 34 VAL H H 48 8.103 8.103 9.218 -1.115 18393
3693 1 10 . 1 1 35 35 ASN N N 49 127.065 127.065 121.826 5.239 18393
3694 1 10 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.409 -0.873 18393
3695 1 10 . 1 1 35 35 ASN C C 49 174.221 174.221 174.105 0.116 18393
3696 1 10 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.901 -1.294 18393
3697 1 10 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.038 -3.296 18393
3698 1 10 . 1 1 35 35 ASN H H 49 8.543 8.543 8.697 -0.154 18393
3699 1 10 . 1 1 36 36 THR N N 50 114.402 114.402 115.603 -1.201 18393
3700 1 10 . 1 1 36 36 THR HA H 50 2.159 2.159 2.889 -0.730 18393
3701 1 10 . 1 1 36 36 THR C C 50 175.168 175.168 175.345 -0.177 18393
3702 1 10 . 1 1 36 36 THR CA C 50 61.126 61.126 61.351 -0.225 18393
3703 1 10 . 1 1 36 36 THR CB C 50 69.987 69.987 68.730 1.257 18393
3704 1 10 . 1 1 36 36 THR H H 50 6.801 6.801 7.882 -1.081 18393
3705 1 10 . 1 1 37 37 SER N N 51 114.587 114.587 120.581 -5.994 18393
3706 1 10 . 1 1 37 37 SER HA H 51 4.105 4.105 3.988 0.117 18393
3707 1 10 . 1 1 37 37 SER C C 51 174.760 174.760 175.063 -0.303 18393
3708 1 10 . 1 1 37 37 SER CA C 51 59.958 59.958 61.412 -1.454 18393
3709 1 10 . 1 1 37 37 SER CB C 51 63.115 63.115 63.372 -0.257 18393
3710 1 10 . 1 1 37 37 SER H H 51 6.797 6.797 8.472 -1.675 18393
3711 1 10 . 1 1 38 38 ASP N N 52 117.329 117.329 117.761 -0.432 18393
3712 1 10 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.555 0.034 18393
3713 1 10 . 1 1 38 38 ASP C C 52 177.236 177.236 176.910 0.326 18393
3714 1 10 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.725 -0.175 18393
3715 1 10 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.927 -0.321 18393
3716 1 10 . 1 1 38 38 ASP H H 52 8.784 8.784 8.133 0.651 18393
3717 1 10 . 1 1 39 39 ARG N N 53 118.330 118.330 119.412 -1.082 18393
3718 1 10 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.581 -0.085 18393
3719 1 10 . 1 1 39 39 ARG C C 53 176.062 176.062 175.970 0.092 18393
3720 1 10 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.950 -0.900 18393
3721 1 10 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.448 -2.007 18393
3722 1 10 . 1 1 39 39 ARG H H 53 7.666 7.666 8.019 -0.353 18393
3723 1 10 . 1 1 40 40 GLY N N 54 110.510 110.510 107.024 3.486 18393
3724 1 10 . 1 1 40 40 GLY C C 54 177.680 177.680 172.363 5.317 18393
3725 1 10 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.276 0.401 18393
3726 1 10 . 1 1 40 40 GLY H H 54 7.248 7.248 7.871 -0.623 18393
3727 1 10 . 1 1 41 41 TRP N N 55 123.328 123.328 123.054 0.274 18393
3728 1 10 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.690 0.229 18393
3729 1 10 . 1 1 41 41 TRP C C 55 178.873 178.873 177.193 1.680 18393
3730 1 10 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.678 0.439 18393
3731 1 10 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.714 0.060 18393
3732 1 10 . 1 1 41 41 TRP H H 55 8.289 8.289 8.320 -0.031 18393
3733 1 10 . 1 1 42 42 THR N N 56 114.627 114.627 118.576 -3.949 18393
3734 1 10 . 1 1 42 42 THR HA H 56 4.329 4.329 4.255 0.074 18393
3735 1 10 . 1 1 42 42 THR C C 56 175.261 175.261 174.660 0.601 18393
3736 1 10 . 1 1 42 42 THR CA C 56 61.698 61.698 61.591 0.107 18393
3737 1 10 . 1 1 42 42 THR CB C 56 72.359 72.359 69.927 2.432 18393
3738 1 10 . 1 1 42 42 THR H H 56 8.972 8.972 8.564 0.408 18393
3739 1 10 . 1 1 43 43 ASP N N 57 120.151 120.151 121.360 -1.209 18393
3740 1 10 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.429 0.016 18393
3741 1 10 . 1 1 43 43 ASP C C 57 175.710 175.710 176.331 -0.621 18393
3742 1 10 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.999 0.378 18393
3743 1 10 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.063 -0.191 18393
3744 1 10 . 1 1 43 43 ASP H H 57 8.379 8.379 8.414 -0.035 18393
3745 1 10 . 1 1 44 44 GLU N N 58 122.449 122.449 124.207 -1.758 18393
3746 1 10 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.550 -0.085 18393
3747 1 10 . 1 1 44 44 GLU C C 58 176.412 176.412 176.770 -0.358 18393
3748 1 10 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.726 -1.255 18393
3749 1 10 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.993 1.065 18393
3750 1 10 . 1 1 44 44 GLU H H 58 8.581 8.581 8.596 -0.015 18393
3751 1 10 . 1 1 45 45 CYS N N 59 126.725 126.725 128.008 -1.283 18393
3752 1 10 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.501 0.194 18393
3753 1 10 . 1 1 45 45 CYS C C 59 173.364 173.364 174.218 -0.854 18393
3754 1 10 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.617 1.303 18393
3755 1 10 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.070 3.615 18393
3756 1 10 . 1 1 45 45 CYS H H 59 8.671 8.671 8.879 -0.208 18393
3757 1 10 . 1 1 46 46 ILE N N 60 126.614 126.614 126.854 -0.240 18393
3758 1 10 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.116 0.577 18393
3759 1 10 . 1 1 46 46 ILE C C 60 176.175 176.175 176.992 -0.817 18393
3760 1 10 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.424 -0.648 18393
3761 1 10 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.954 0.392 18393
3762 1 10 . 1 1 46 46 ILE H H 60 8.735 8.735 8.068 0.667 18393
3763 1 10 . 1 1 47 47 GLY N N 61 112.366 112.366 117.269 -4.903 18393
3764 1 10 . 1 1 47 47 GLY C C 61 171.844 171.844 173.341 -1.497 18393
3765 1 10 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.115 0.168 18393
3766 1 10 . 1 1 47 47 GLY H H 61 8.610 8.610 8.775 -0.165 18393
3767 1 10 . 1 1 48 48 GLU N N 62 115.030 115.030 120.060 -5.030 18393
3768 1 10 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.653 -0.108 18393
3769 1 10 . 1 1 48 48 GLU C C 62 174.927 174.927 174.551 0.376 18393
3770 1 10 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.939 -0.057 18393
3771 1 10 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.100 0.249 18393
3772 1 10 . 1 1 48 48 GLU H H 62 8.214 8.214 8.121 0.093 18393
3773 1 10 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.464 0.400 18393
3774 1 10 . 1 1 49 49 PRO C C 63 178.286 178.286 176.359 1.927 18393
3775 1 10 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.256 -0.996 18393
3776 1 10 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.499 -0.232 18393
3777 1 10 . 1 1 50 50 MET N N 64 123.505 123.505 125.120 -1.615 18393
3778 1 10 . 1 1 50 50 MET HA H 64 5.530 5.530 4.920 0.610 18393
3779 1 10 . 1 1 50 50 MET C C 64 176.337 176.337 175.141 1.196 18393
3780 1 10 . 1 1 50 50 MET CA C 64 51.674 51.674 51.630 0.044 18393
3781 1 10 . 1 1 50 50 MET CB C 64 37.597 37.597 33.581 4.016 18393
3782 1 10 . 1 1 50 50 MET H H 64 9.267 9.267 8.880 0.387 18393
3783 1 10 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.306 0.780 18393
3784 1 10 . 1 1 51 51 PRO C C 65 174.862 174.862 175.969 -1.107 18393
3785 1 10 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.538 0.128 18393
3786 1 10 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.649 0.878 18393
3787 1 10 . 1 1 52 52 SER N N 66 109.598 109.598 111.823 -2.225 18393
3788 1 10 . 1 1 52 52 SER HA H 66 4.813 4.813 4.810 0.003 18393
3789 1 10 . 1 1 52 52 SER C C 66 173.368 173.368 175.196 -1.828 18393
3790 1 10 . 1 1 52 52 SER CA C 66 55.463 55.463 55.857 -0.394 18393
3791 1 10 . 1 1 52 52 SER CB C 66 66.775 66.775 65.463 1.312 18393
3792 1 10 . 1 1 52 52 SER H H 66 7.165 7.165 7.270 -0.105 18393
3793 1 10 . 1 1 53 53 VAL N N 67 124.347 124.347 125.487 -1.140 18393
3794 1 10 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.923 -1.093 18393
3795 1 10 . 1 1 53 53 VAL C C 67 177.116 177.116 176.961 0.155 18393
3796 1 10 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.495 1.334 18393
3797 1 10 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.525 -0.201 18393
3798 1 10 . 1 1 53 53 VAL H H 67 8.522 8.522 8.805 -0.283 18393
3799 1 10 . 1 1 54 54 LYS N N 68 118.639 118.639 120.676 -2.037 18393
3800 1 10 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.972 -0.503 18393
3801 1 10 . 1 1 54 54 LYS C C 68 178.286 178.286 178.352 -0.066 18393
3802 1 10 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.833 0.517 18393
3803 1 10 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.303 0.061 18393
3804 1 10 . 1 1 54 54 LYS H H 68 8.098 8.098 7.706 0.392 18393
3805 1 10 . 1 1 55 55 LYS N N 69 115.388 115.388 118.107 -2.719 18393
3806 1 10 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.180 -0.086 18393
3807 1 10 . 1 1 55 55 LYS C C 69 179.694 179.694 178.812 0.882 18393
3808 1 10 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.975 -0.147 18393
3809 1 10 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.301 0.538 18393
3810 1 10 . 1 1 55 55 LYS H H 69 7.499 7.499 7.899 -0.401 18393
3811 1 10 . 1 1 56 56 ALA N N 70 124.226 124.226 123.922 0.304 18393
3812 1 10 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.191 -0.042 18393
3813 1 10 . 1 1 56 56 ALA C C 70 181.217 181.217 179.364 1.853 18393
3814 1 10 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.517 0.199 18393
3815 1 10 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.611 1.899 18393
3816 1 10 . 1 1 56 56 ALA H H 70 8.296 8.296 8.131 0.165 18393
3817 1 10 . 1 1 57 57 LYS N N 71 120.522 120.522 117.904 2.618 18393
3818 1 10 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.045 -0.402 18393
3819 1 10 . 1 1 57 57 LYS C C 71 177.937 177.937 178.576 -0.639 18393
3820 1 10 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.519 1.569 18393
3821 1 10 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.635 0.493 18393
3822 1 10 . 1 1 57 57 LYS H H 71 8.385 8.385 7.488 0.897 18393
3823 1 10 . 1 1 58 58 ASP N N 72 119.428 119.428 120.737 -1.309 18393
3824 1 10 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.413 -0.107 18393
3825 1 10 . 1 1 58 58 ASP C C 72 177.042 177.042 178.877 -1.835 18393
3826 1 10 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.550 0.590 18393
3827 1 10 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.686 -0.561 18393
3828 1 10 . 1 1 58 58 ASP H H 72 8.029 8.029 8.171 -0.142 18393
3829 1 10 . 1 1 59 59 SER N N 73 111.435 111.435 115.435 -4.000 18393
3830 1 10 . 1 1 59 59 SER HA H 73 4.243 4.243 4.194 0.049 18393
3831 1 10 . 1 1 59 59 SER C C 73 177.000 177.000 176.636 0.364 18393
3832 1 10 . 1 1 59 59 SER CA C 73 63.579 63.579 61.804 1.775 18393
3833 1 10 . 1 1 59 59 SER CB C 73 60.947 60.947 63.099 -2.152 18393
3834 1 10 . 1 1 59 59 SER H H 73 7.785 7.785 8.394 -0.609 18393
3835 1 10 . 1 1 60 60 ALA N N 74 120.363 120.363 124.665 -4.302 18393
3836 1 10 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.082 -0.119 18393
3837 1 10 . 1 1 60 60 ALA C C 74 178.170 178.170 179.133 -0.963 18393
3838 1 10 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.708 0.790 18393
3839 1 10 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.356 -0.445 18393
3840 1 10 . 1 1 60 60 ALA H H 74 7.472 7.472 7.843 -0.371 18393
3841 1 10 . 1 1 61 61 ALA N N 75 118.116 118.116 121.609 -3.493 18393
3842 1 10 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.121 -0.173 18393
3843 1 10 . 1 1 61 61 ALA C C 75 179.341 179.341 179.577 -0.236 18393
3844 1 10 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.213 0.447 18393
3845 1 10 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.479 0.463 18393
3846 1 10 . 1 1 61 61 ALA H H 75 8.653 8.653 8.438 0.215 18393
3847 1 10 . 1 1 62 62 VAL N N 76 115.858 115.858 117.846 -1.988 18393
3848 1 10 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.733 -0.077 18393
3849 1 10 . 1 1 62 62 VAL C C 76 178.051 178.051 177.870 0.181 18393
3850 1 10 . 1 1 62 62 VAL CA C 76 66.651 66.651 67.148 -0.497 18393
3851 1 10 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.687 0.160 18393
3852 1 10 . 1 1 62 62 VAL H H 76 8.124 8.124 7.573 0.551 18393
3853 1 10 . 1 1 63 63 LEU N N 77 119.881 119.881 118.820 1.061 18393
3854 1 10 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.069 0.120 18393
3855 1 10 . 1 1 63 63 LEU C C 77 179.692 179.692 178.905 0.787 18393
3856 1 10 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.161 0.423 18393
3857 1 10 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.658 0.258 18393
3858 1 10 . 1 1 63 63 LEU H H 77 7.038 7.038 7.398 -0.360 18393
3859 1 10 . 1 1 64 64 LEU N N 78 122.083 122.083 121.771 0.312 18393
3860 1 10 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.109 0.419 18393
3861 1 10 . 1 1 64 64 LEU C C 78 178.601 178.601 178.556 0.045 18393
3862 1 10 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.779 -0.321 18393
3863 1 10 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.089 -0.835 18393
3864 1 10 . 1 1 64 64 LEU H H 78 7.694 7.694 8.072 -0.378 18393
3865 1 10 . 1 1 65 65 LEU N N 79 120.548 120.548 117.843 2.705 18393
3866 1 10 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.110 -0.246 18393
3867 1 10 . 1 1 65 65 LEU C C 79 178.861 178.861 177.986 0.875 18393
3868 1 10 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.648 0.829 18393
3869 1 10 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.074 0.544 18393
3870 1 10 . 1 1 65 65 LEU H H 79 8.671 8.671 8.368 0.303 18393
3871 1 10 . 1 1 66 66 GLU N N 80 117.398 117.398 115.925 1.473 18393
3872 1 10 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.239 -0.180 18393
3873 1 10 . 1 1 66 66 GLU C C 80 178.957 178.957 178.968 -0.011 18393
3874 1 10 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.042 1.294 18393
3875 1 10 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.819 -0.438 18393
3876 1 10 . 1 1 66 66 GLU H H 80 7.613 7.613 7.414 0.199 18393
3877 1 10 . 1 1 67 67 LEU N N 81 120.633 120.633 121.080 -0.447 18393
3878 1 10 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.084 0.076 18393
3879 1 10 . 1 1 67 67 LEU C C 81 180.162 180.162 179.156 1.006 18393
3880 1 10 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.768 0.345 18393
3881 1 10 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.208 -0.151 18393
3882 1 10 . 1 1 67 67 LEU H H 81 7.656 7.656 7.417 0.239 18393
3883 1 10 . 1 1 68 68 LEU N N 82 118.949 118.949 117.330 1.619 18393
3884 1 10 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.283 -0.120 18393
3885 1 10 . 1 1 68 68 LEU C C 82 178.289 178.289 177.885 0.404 18393
3886 1 10 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.834 1.020 18393
3887 1 10 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.038 0.980 18393
3888 1 10 . 1 1 68 68 LEU H H 82 8.583 8.583 8.237 0.346 18393
3889 1 10 . 1 1 69 69 ASN N N 83 116.570 116.570 116.132 0.438 18393
3890 1 10 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.717 0.012 18393
3891 1 10 . 1 1 69 69 ASN C C 83 174.784 174.784 175.492 -0.708 18393
3892 1 10 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.036 -0.297 18393
3893 1 10 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.355 -0.207 18393
3894 1 10 . 1 1 69 69 ASN H H 83 7.920 7.920 7.507 0.413 18393
3895 1 10 . 1 1 70 70 LYS N N 84 120.363 120.363 120.182 0.181 18393
3896 1 10 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.581 -0.177 18393
3897 1 10 . 1 1 70 70 LYS C C 84 175.910 175.910 175.099 0.811 18393
3898 1 10 . 1 1 70 70 LYS CA C 84 56.836 56.836 54.956 1.880 18393
3899 1 10 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.290 0.709 18393
3900 1 10 . 1 1 70 70 LYS H H 84 7.593 7.593 7.661 -0.068 18393
3901 1 11 . 1 1 2 2 ASP N N 16 119.381 119.381 121.168 -1.787 18393
3902 1 11 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.361 -0.021 18393
3903 1 11 . 1 1 2 2 ASP C C 16 178.935 178.935 177.888 1.047 18393
3904 1 11 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.424 0.284 18393
3905 1 11 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.922 -0.241 18393
3906 1 11 . 1 1 2 2 ASP H H 16 8.320 8.320 8.565 -0.245 18393
3907 1 11 . 1 1 3 3 ILE N N 17 121.475 121.475 119.614 1.861 18393
3908 1 11 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.777 -0.231 18393
3909 1 11 . 1 1 3 3 ILE C C 17 177.116 177.116 177.723 -0.607 18393
3910 1 11 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.412 0.821 18393
3911 1 11 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.525 0.176 18393
3912 1 11 . 1 1 3 3 ILE H H 17 7.793 7.793 8.340 -0.547 18393
3913 1 11 . 1 1 4 4 CYS N N 18 117.506 117.506 117.896 -0.390 18393
3914 1 11 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.323 -0.381 18393
3915 1 11 . 1 1 4 4 CYS C C 18 176.671 176.671 176.969 -0.298 18393
3916 1 11 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.989 1.635 18393
3917 1 11 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.074 -1.109 18393
3918 1 11 . 1 1 4 4 CYS H H 18 7.823 7.823 7.807 0.016 18393
3919 1 11 . 1 1 5 5 LEU N N 19 118.832 118.832 122.109 -3.277 18393
3920 1 11 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.056 0.040 18393
3921 1 11 . 1 1 5 5 LEU C C 19 180.698 180.698 179.664 1.034 18393
3922 1 11 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.777 0.160 18393
3923 1 11 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.995 0.071 18393
3924 1 11 . 1 1 5 5 LEU H H 19 8.101 8.101 8.466 -0.365 18393
3925 1 11 . 1 1 6 6 ARG N N 20 119.443 119.443 120.310 -0.867 18393
3926 1 11 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.970 -0.036 18393
3927 1 11 . 1 1 6 6 ARG C C 20 178.169 178.169 177.622 0.547 18393
3928 1 11 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.812 0.063 18393
3929 1 11 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.078 -0.098 18393
3930 1 11 . 1 1 6 6 ARG H H 20 7.934 7.934 8.298 -0.364 18393
3931 1 11 . 1 1 7 7 LYS N N 21 116.636 116.636 116.149 0.487 18393
3932 1 11 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.886 -0.113 18393
3933 1 11 . 1 1 7 7 LYS C C 21 175.224 175.224 175.331 -0.107 18393
3934 1 11 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.327 -0.249 18393
3935 1 11 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.553 -0.036 18393
3936 1 11 . 1 1 7 7 LYS H H 21 7.553 7.553 7.316 0.237 18393
3937 1 11 . 1 1 8 8 ASN N N 22 114.898 114.898 115.705 -0.807 18393
3938 1 11 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.332 -0.030 18393
3939 1 11 . 1 1 8 8 ASN C C 22 174.073 174.073 174.224 -0.151 18393
3940 1 11 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.310 0.122 18393
3941 1 11 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.093 -0.076 18393
3942 1 11 . 1 1 8 8 ASN H H 22 7.640 7.640 7.491 0.149 18393
3943 1 11 . 1 1 9 9 TRP N N 23 120.563 120.563 120.206 0.357 18393
3944 1 11 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.159 0.082 18393
3945 1 11 . 1 1 9 9 TRP C C 23 173.601 173.601 174.764 -1.163 18393
3946 1 11 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.078 -2.258 18393
3947 1 11 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.953 0.621 18393
3948 1 11 . 1 1 9 9 TRP H H 23 8.692 8.692 7.583 1.109 18393
3949 1 11 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.578 -0.119 18393
3950 1 11 . 1 1 10 10 PRO C C 24 175.391 175.391 176.451 -1.060 18393
3951 1 11 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.284 -0.186 18393
3952 1 11 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.495 -0.913 18393
3953 1 11 . 1 1 11 11 MET N N 25 116.562 116.562 119.695 -3.133 18393
3954 1 11 . 1 1 11 11 MET HA H 25 4.751 4.751 4.748 0.003 18393
3955 1 11 . 1 1 11 11 MET C C 25 175.240 175.240 175.465 -0.225 18393
3956 1 11 . 1 1 11 11 MET CA C 25 53.800 53.800 52.013 1.787 18393
3957 1 11 . 1 1 11 11 MET CB C 25 30.695 30.695 30.534 0.161 18393
3958 1 11 . 1 1 11 11 MET H H 25 8.201 8.201 8.423 -0.222 18393
3959 1 11 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.546 -0.222 18393
3960 1 11 . 1 1 12 12 PRO C C 26 174.890 174.890 176.332 -1.442 18393
3961 1 11 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.927 0.554 18393
3962 1 11 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.473 0.252 18393
3963 1 11 . 1 1 13 13 SER N N 27 116.608 116.608 115.287 1.321 18393
3964 1 11 . 1 1 13 13 SER HA H 27 4.781 4.781 4.674 0.107 18393
3965 1 11 . 1 1 13 13 SER C C 27 173.365 173.365 173.690 -0.325 18393
3966 1 11 . 1 1 13 13 SER CA C 27 57.219 57.219 58.564 -1.345 18393
3967 1 11 . 1 1 13 13 SER CB C 27 64.227 64.227 64.146 0.081 18393
3968 1 11 . 1 1 13 13 SER H H 27 8.555 8.555 8.551 0.004 18393
3969 1 11 . 1 1 14 14 TYR N N 28 125.256 125.256 123.004 2.252 18393
3970 1 11 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.071 0.550 18393
3971 1 11 . 1 1 14 14 TYR C C 28 176.175 176.175 174.383 1.792 18393
3972 1 11 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.833 -0.270 18393
3973 1 11 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.854 1.007 18393
3974 1 11 . 1 1 14 14 TYR H H 28 8.939 8.939 8.564 0.375 18393
3975 1 11 . 1 1 15 15 ARG N N 29 120.540 120.540 125.054 -4.514 18393
3976 1 11 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.727 -0.185 18393
3977 1 11 . 1 1 15 15 ARG C C 29 173.134 173.134 174.846 -1.712 18393
3978 1 11 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.270 -0.450 18393
3979 1 11 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.241 0.480 18393
3980 1 11 . 1 1 15 15 ARG H H 29 9.159 9.159 9.030 0.129 18393
3981 1 11 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.559 -1.662 18393
3982 1 11 . 1 1 16 16 CYS C C 30 174.180 174.180 175.995 -1.815 18393
3983 1 11 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.990 -1.271 18393
3984 1 11 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.341 -2.235 18393
3985 1 11 . 1 1 17 17 VAL N N 31 132.259 132.259 121.786 10.473 18393
3986 1 11 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.142 -0.491 18393
3987 1 11 . 1 1 17 17 VAL C C 31 175.711 175.711 175.531 0.180 18393
3988 1 11 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.299 0.787 18393
3989 1 11 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.096 0.416 18393
3990 1 11 . 1 1 17 17 VAL H H 31 8.659 8.659 8.477 0.182 18393
3991 1 11 . 1 1 18 18 LYS N N 32 118.630 118.630 121.451 -2.821 18393
3992 1 11 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.663 -0.303 18393
3993 1 11 . 1 1 18 18 LYS C C 32 173.015 173.015 173.973 -0.958 18393
3994 1 11 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.529 0.873 18393
3995 1 11 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.075 0.929 18393
3996 1 11 . 1 1 18 18 LYS H H 32 7.673 7.673 8.127 -0.454 18393
3997 1 11 . 1 1 19 19 GLU N N 33 125.800 125.800 124.241 1.559 18393
3998 1 11 . 1 1 19 19 GLU HA H 33 4.853 4.853 5.142 -0.289 18393
3999 1 11 . 1 1 19 19 GLU C C 33 175.060 175.060 175.555 -0.495 18393
4000 1 11 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.142 -0.578 18393
4001 1 11 . 1 1 19 19 GLU CB C 33 32.137 32.137 33.307 -1.170 18393
4002 1 11 . 1 1 19 19 GLU H H 33 8.431 8.431 8.515 -0.084 18393
4003 1 11 . 1 1 20 20 GLY N N 34 111.079 111.079 110.861 0.218 18393
4004 1 11 . 1 1 20 20 GLY C C 34 172.318 172.318 173.553 -1.235 18393
4005 1 11 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.342 -0.701 18393
4006 1 11 . 1 1 20 20 GLY H H 34 8.345 8.345 8.788 -0.443 18393
4007 1 11 . 1 1 21 21 GLY N N 35 107.395 107.395 106.591 0.804 18393
4008 1 11 . 1 1 21 21 GLY C C 35 171.757 171.757 172.349 -0.592 18393
4009 1 11 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.014 -1.277 18393
4010 1 11 . 1 1 21 21 GLY H H 35 8.184 8.184 7.853 0.331 18393
4011 1 11 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.494 -0.018 18393
4012 1 11 . 1 1 22 22 PRO C C 36 177.171 177.171 176.248 0.923 18393
4013 1 11 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.114 0.149 18393
4014 1 11 . 1 1 22 22 PRO CB C 36 32.261 32.261 29.409 2.852 18393
4015 1 11 . 1 1 23 23 ALA N N 37 120.595 120.595 122.839 -2.244 18393
4016 1 11 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.842 -0.019 18393
4017 1 11 . 1 1 23 23 ALA C C 37 178.547 178.547 177.237 1.310 18393
4018 1 11 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.507 0.986 18393
4019 1 11 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.220 1.331 18393
4020 1 11 . 1 1 23 23 ALA H H 37 8.580 8.580 8.463 0.117 18393
4021 1 11 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.616 -0.001 18393
4022 1 11 . 1 1 24 24 HIS C C 38 174.890 174.890 174.739 0.151 18393
4023 1 11 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.292 -0.431 18393
4024 1 11 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.518 0.842 18393
4025 1 11 . 1 1 25 25 ALA N N 39 128.271 128.271 122.570 5.701 18393
4026 1 11 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.449 0.025 18393
4027 1 11 . 1 1 25 25 ALA C C 39 174.351 174.351 176.957 -2.606 18393
4028 1 11 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.242 0.074 18393
4029 1 11 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.177 -1.066 18393
4030 1 11 . 1 1 25 25 ALA H H 39 7.697 7.697 7.629 0.068 18393
4031 1 11 . 1 1 26 26 LYS N N 40 121.927 121.927 119.552 2.375 18393
4032 1 11 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.245 -0.127 18393
4033 1 11 . 1 1 26 26 LYS C C 40 177.551 177.551 175.215 2.336 18393
4034 1 11 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.144 1.000 18393
4035 1 11 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.083 0.989 18393
4036 1 11 . 1 1 26 26 LYS H H 40 7.990 7.990 8.234 -0.244 18393
4037 1 11 . 1 1 27 27 ARG N N 41 119.572 119.572 117.639 1.933 18393
4038 1 11 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.323 0.315 18393
4039 1 11 . 1 1 27 27 ARG C C 41 174.770 174.770 175.571 -0.801 18393
4040 1 11 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.189 -1.711 18393
4041 1 11 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.703 2.688 18393
4042 1 11 . 1 1 27 27 ARG H H 41 8.296 8.296 7.289 1.007 18393
4043 1 11 . 1 1 28 28 PHE N N 42 120.381 120.381 123.800 -3.419 18393
4044 1 11 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.388 -0.341 18393
4045 1 11 . 1 1 28 28 PHE C C 42 174.407 174.407 175.699 -1.292 18393
4046 1 11 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.067 1.959 18393
4047 1 11 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.733 2.396 18393
4048 1 11 . 1 1 28 28 PHE H H 42 9.339 9.339 8.944 0.395 18393
4049 1 11 . 1 1 29 29 THR N N 43 117.999 117.999 118.881 -0.882 18393
4050 1 11 . 1 1 29 29 THR HA H 43 4.704 4.704 4.802 -0.098 18393
4051 1 11 . 1 1 29 29 THR C C 43 173.713 173.713 172.595 1.118 18393
4052 1 11 . 1 1 29 29 THR CA C 43 62.117 62.117 61.392 0.725 18393
4053 1 11 . 1 1 29 29 THR CB C 43 70.104 70.104 70.803 -0.699 18393
4054 1 11 . 1 1 29 29 THR H H 43 8.949 8.949 9.361 -0.412 18393
4055 1 11 . 1 1 30 30 PHE N N 44 129.592 129.592 126.501 3.091 18393
4056 1 11 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.997 0.398 18393
4057 1 11 . 1 1 30 30 PHE C C 44 173.221 173.221 172.819 0.402 18393
4058 1 11 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.204 0.219 18393
4059 1 11 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.609 1.308 18393
4060 1 11 . 1 1 30 30 PHE H H 44 10.048 10.048 8.811 1.237 18393
4061 1 11 . 1 1 31 31 GLY N N 45 105.921 105.921 109.290 -3.369 18393
4062 1 11 . 1 1 31 31 GLY C C 45 172.774 172.774 171.536 1.238 18393
4063 1 11 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.417 0.121 18393
4064 1 11 . 1 1 31 31 GLY H H 45 9.290 9.290 7.754 1.536 18393
4065 1 11 . 1 1 32 32 VAL N N 46 121.311 121.311 121.321 -0.010 18393
4066 1 11 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.790 0.560 18393
4067 1 11 . 1 1 32 32 VAL C C 46 171.140 171.140 174.865 -3.725 18393
4068 1 11 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.578 -0.746 18393
4069 1 11 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.323 2.064 18393
4070 1 11 . 1 1 32 32 VAL H H 46 8.906 8.906 7.880 1.026 18393
4071 1 11 . 1 1 33 33 ARG N N 47 122.102 122.102 120.003 2.099 18393
4072 1 11 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.157 -0.586 18393
4073 1 11 . 1 1 33 33 ARG C C 47 173.683 173.683 174.526 -0.843 18393
4074 1 11 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.618 0.340 18393
4075 1 11 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.663 2.053 18393
4076 1 11 . 1 1 33 33 ARG H H 47 8.008 8.008 7.852 0.156 18393
4077 1 11 . 1 1 34 34 VAL N N 48 117.391 117.391 120.669 -3.278 18393
4078 1 11 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.525 0.262 18393
4079 1 11 . 1 1 34 34 VAL C C 48 172.777 172.777 173.968 -1.191 18393
4080 1 11 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.353 -0.383 18393
4081 1 11 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.712 0.600 18393
4082 1 11 . 1 1 34 34 VAL H H 48 8.103 8.103 9.225 -1.122 18393
4083 1 11 . 1 1 35 35 ASN N N 49 127.065 127.065 121.569 5.496 18393
4084 1 11 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.539 -1.003 18393
4085 1 11 . 1 1 35 35 ASN C C 49 174.221 174.221 173.954 0.267 18393
4086 1 11 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.717 -1.109 18393
4087 1 11 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.239 -3.497 18393
4088 1 11 . 1 1 35 35 ASN H H 49 8.543 8.543 8.672 -0.129 18393
4089 1 11 . 1 1 36 36 THR N N 50 114.402 114.402 115.966 -1.564 18393
4090 1 11 . 1 1 36 36 THR HA H 50 2.159 2.159 2.822 -0.663 18393
4091 1 11 . 1 1 36 36 THR C C 50 175.168 175.168 175.713 -0.545 18393
4092 1 11 . 1 1 36 36 THR CA C 50 61.126 61.126 61.273 -0.147 18393
4093 1 11 . 1 1 36 36 THR CB C 50 69.987 69.987 68.980 1.008 18393
4094 1 11 . 1 1 36 36 THR H H 50 6.801 6.801 7.873 -1.072 18393
4095 1 11 . 1 1 37 37 SER N N 51 114.587 114.587 120.127 -5.540 18393
4096 1 11 . 1 1 37 37 SER HA H 51 4.105 4.105 4.056 0.049 18393
4097 1 11 . 1 1 37 37 SER C C 51 174.760 174.760 174.625 0.135 18393
4098 1 11 . 1 1 37 37 SER CA C 51 59.958 59.958 61.391 -1.433 18393
4099 1 11 . 1 1 37 37 SER CB C 51 63.115 63.115 63.163 -0.048 18393
4100 1 11 . 1 1 37 37 SER H H 51 6.797 6.797 8.557 -1.760 18393
4101 1 11 . 1 1 38 38 ASP N N 52 117.329 117.329 116.361 0.968 18393
4102 1 11 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.695 -0.106 18393
4103 1 11 . 1 1 38 38 ASP C C 52 177.236 177.236 176.135 1.101 18393
4104 1 11 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.450 0.100 18393
4105 1 11 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.809 -0.203 18393
4106 1 11 . 1 1 38 38 ASP H H 52 8.784 8.784 8.307 0.477 18393
4107 1 11 . 1 1 39 39 ARG N N 53 118.330 118.330 118.576 -0.246 18393
4108 1 11 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.582 -0.086 18393
4109 1 11 . 1 1 39 39 ARG C C 53 176.062 176.062 176.527 -0.465 18393
4110 1 11 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.506 -1.456 18393
4111 1 11 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.411 -1.970 18393
4112 1 11 . 1 1 39 39 ARG H H 53 7.666 7.666 7.996 -0.330 18393
4113 1 11 . 1 1 40 40 GLY N N 54 110.510 110.510 106.717 3.793 18393
4114 1 11 . 1 1 40 40 GLY C C 54 177.680 177.680 172.733 4.947 18393
4115 1 11 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.301 0.376 18393
4116 1 11 . 1 1 40 40 GLY H H 54 7.248 7.248 7.854 -0.606 18393
4117 1 11 . 1 1 41 41 TRP N N 55 123.328 123.328 123.331 -0.003 18393
4118 1 11 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.831 0.088 18393
4119 1 11 . 1 1 41 41 TRP C C 55 178.873 178.873 177.576 1.297 18393
4120 1 11 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.300 0.817 18393
4121 1 11 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.371 0.403 18393
4122 1 11 . 1 1 41 41 TRP H H 55 8.289 8.289 8.326 -0.037 18393
4123 1 11 . 1 1 42 42 THR N N 56 114.627 114.627 117.753 -3.126 18393
4124 1 11 . 1 1 42 42 THR HA H 56 4.329 4.329 4.374 -0.045 18393
4125 1 11 . 1 1 42 42 THR C C 56 175.261 175.261 174.860 0.401 18393
4126 1 11 . 1 1 42 42 THR CA C 56 61.698 61.698 61.280 0.418 18393
4127 1 11 . 1 1 42 42 THR CB C 56 72.359 72.359 69.944 2.415 18393
4128 1 11 . 1 1 42 42 THR H H 56 8.972 8.972 8.562 0.410 18393
4129 1 11 . 1 1 43 43 ASP N N 57 120.151 120.151 120.503 -0.352 18393
4130 1 11 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.411 0.034 18393
4131 1 11 . 1 1 43 43 ASP C C 57 175.710 175.710 176.503 -0.793 18393
4132 1 11 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.122 1.255 18393
4133 1 11 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.171 -0.299 18393
4134 1 11 . 1 1 43 43 ASP H H 57 8.379 8.379 8.351 0.028 18393
4135 1 11 . 1 1 44 44 GLU N N 58 122.449 122.449 123.057 -0.608 18393
4136 1 11 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.388 0.077 18393
4137 1 11 . 1 1 44 44 GLU C C 58 176.412 176.412 176.778 -0.366 18393
4138 1 11 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.990 -1.519 18393
4139 1 11 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.933 1.125 18393
4140 1 11 . 1 1 44 44 GLU H H 58 8.581 8.581 8.558 0.023 18393
4141 1 11 . 1 1 45 45 CYS N N 59 126.725 126.725 127.467 -0.742 18393
4142 1 11 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.529 0.166 18393
4143 1 11 . 1 1 45 45 CYS C C 59 173.364 173.364 174.188 -0.824 18393
4144 1 11 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.437 1.483 18393
4145 1 11 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.937 3.747 18393
4146 1 11 . 1 1 45 45 CYS H H 59 8.671 8.671 8.929 -0.258 18393
4147 1 11 . 1 1 46 46 ILE N N 60 126.614 126.614 126.638 -0.024 18393
4148 1 11 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.249 0.444 18393
4149 1 11 . 1 1 46 46 ILE C C 60 176.175 176.175 176.795 -0.620 18393
4150 1 11 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.609 0.167 18393
4151 1 11 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.140 1.206 18393
4152 1 11 . 1 1 46 46 ILE H H 60 8.735 8.735 7.989 0.746 18393
4153 1 11 . 1 1 47 47 GLY N N 61 112.366 112.366 116.885 -4.519 18393
4154 1 11 . 1 1 47 47 GLY C C 61 171.844 171.844 173.611 -1.767 18393
4155 1 11 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.203 0.080 18393
4156 1 11 . 1 1 47 47 GLY H H 61 8.610 8.610 8.689 -0.079 18393
4157 1 11 . 1 1 48 48 GLU N N 62 115.030 115.030 120.282 -5.252 18393
4158 1 11 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.663 -0.118 18393
4159 1 11 . 1 1 48 48 GLU C C 62 174.927 174.927 174.676 0.251 18393
4160 1 11 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.108 -0.226 18393
4161 1 11 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.130 0.219 18393
4162 1 11 . 1 1 48 48 GLU H H 62 8.214 8.214 8.327 -0.113 18393
4163 1 11 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.506 0.358 18393
4164 1 11 . 1 1 49 49 PRO C C 63 178.286 178.286 176.218 2.068 18393
4165 1 11 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.571 -1.311 18393
4166 1 11 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.850 -0.583 18393
4167 1 11 . 1 1 50 50 MET N N 64 123.505 123.505 125.072 -1.567 18393
4168 1 11 . 1 1 50 50 MET HA H 64 5.530 5.530 4.916 0.614 18393
4169 1 11 . 1 1 50 50 MET C C 64 176.337 176.337 175.037 1.300 18393
4170 1 11 . 1 1 50 50 MET CA C 64 51.674 51.674 51.592 0.082 18393
4171 1 11 . 1 1 50 50 MET CB C 64 37.597 37.597 34.262 3.335 18393
4172 1 11 . 1 1 50 50 MET H H 64 9.267 9.267 8.961 0.306 18393
4173 1 11 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.266 0.820 18393
4174 1 11 . 1 1 51 51 PRO C C 65 174.862 174.862 176.164 -1.302 18393
4175 1 11 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.779 0.888 18393
4176 1 11 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.528 0.999 18393
4177 1 11 . 1 1 52 52 SER N N 66 109.598 109.598 112.035 -2.437 18393
4178 1 11 . 1 1 52 52 SER HA H 66 4.813 4.813 4.914 -0.101 18393
4179 1 11 . 1 1 52 52 SER C C 66 173.368 173.368 174.840 -1.472 18393
4180 1 11 . 1 1 52 52 SER CA C 66 55.463 55.463 56.876 -1.413 18393
4181 1 11 . 1 1 52 52 SER CB C 66 66.775 66.775 66.039 0.736 18393
4182 1 11 . 1 1 52 52 SER H H 66 7.165 7.165 7.386 -0.221 18393
4183 1 11 . 1 1 53 53 VAL N N 67 124.347 124.347 124.081 0.266 18393
4184 1 11 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.053 -1.223 18393
4185 1 11 . 1 1 53 53 VAL C C 67 177.116 177.116 176.704 0.412 18393
4186 1 11 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.037 1.792 18393
4187 1 11 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.501 -0.177 18393
4188 1 11 . 1 1 53 53 VAL H H 67 8.522 8.522 8.835 -0.313 18393
4189 1 11 . 1 1 54 54 LYS N N 68 118.639 118.639 119.982 -1.343 18393
4190 1 11 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.123 -0.654 18393
4191 1 11 . 1 1 54 54 LYS C C 68 178.286 178.286 178.683 -0.397 18393
4192 1 11 . 1 1 54 54 LYS CA C 68 60.350 60.350 58.952 1.398 18393
4193 1 11 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.974 0.390 18393
4194 1 11 . 1 1 54 54 LYS H H 68 8.098 8.098 7.612 0.486 18393
4195 1 11 . 1 1 55 55 LYS N N 69 115.388 115.388 118.749 -3.361 18393
4196 1 11 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.368 -0.274 18393
4197 1 11 . 1 1 55 55 LYS C C 69 179.694 179.694 178.360 1.334 18393
4198 1 11 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.227 0.601 18393
4199 1 11 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.022 0.817 18393
4200 1 11 . 1 1 55 55 LYS H H 69 7.499 7.499 7.605 -0.106 18393
4201 1 11 . 1 1 56 56 ALA N N 70 124.226 124.226 124.825 -0.599 18393
4202 1 11 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.185 -0.036 18393
4203 1 11 . 1 1 56 56 ALA C C 70 181.217 181.217 179.466 1.751 18393
4204 1 11 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.320 0.396 18393
4205 1 11 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.521 1.989 18393
4206 1 11 . 1 1 56 56 ALA H H 70 8.296 8.296 7.985 0.311 18393
4207 1 11 . 1 1 57 57 LYS N N 71 120.522 120.522 117.919 2.603 18393
4208 1 11 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.040 -0.398 18393
4209 1 11 . 1 1 57 57 LYS C C 71 177.937 177.937 178.833 -0.896 18393
4210 1 11 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.146 0.941 18393
4211 1 11 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.985 0.143 18393
4212 1 11 . 1 1 57 57 LYS H H 71 8.385 8.385 7.542 0.843 18393
4213 1 11 . 1 1 58 58 ASP N N 72 119.428 119.428 118.838 0.590 18393
4214 1 11 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.403 -0.097 18393
4215 1 11 . 1 1 58 58 ASP C C 72 177.042 177.042 178.657 -1.615 18393
4216 1 11 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.368 0.772 18393
4217 1 11 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.823 -0.698 18393
4218 1 11 . 1 1 58 58 ASP H H 72 8.029 8.029 7.751 0.278 18393
4219 1 11 . 1 1 59 59 SER N N 73 111.435 111.435 115.458 -4.023 18393
4220 1 11 . 1 1 59 59 SER HA H 73 4.243 4.243 4.146 0.097 18393
4221 1 11 . 1 1 59 59 SER C C 73 177.000 177.000 176.501 0.499 18393
4222 1 11 . 1 1 59 59 SER CA C 73 63.579 63.579 61.622 1.957 18393
4223 1 11 . 1 1 59 59 SER CB C 73 60.947 60.947 63.157 -2.210 18393
4224 1 11 . 1 1 59 59 SER H H 73 7.785 7.785 8.120 -0.335 18393
4225 1 11 . 1 1 60 60 ALA N N 74 120.363 120.363 123.246 -2.883 18393
4226 1 11 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.016 -0.053 18393
4227 1 11 . 1 1 60 60 ALA C C 74 178.170 178.170 179.457 -1.287 18393
4228 1 11 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.913 0.585 18393
4229 1 11 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.430 -0.519 18393
4230 1 11 . 1 1 60 60 ALA H H 74 7.472 7.472 7.705 -0.233 18393
4231 1 11 . 1 1 61 61 ALA N N 75 118.116 118.116 121.318 -3.202 18393
4232 1 11 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.105 -0.157 18393
4233 1 11 . 1 1 61 61 ALA C C 75 179.341 179.341 179.636 -0.295 18393
4234 1 11 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.056 0.605 18393
4235 1 11 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.424 0.518 18393
4236 1 11 . 1 1 61 61 ALA H H 75 8.653 8.653 8.420 0.233 18393
4237 1 11 . 1 1 62 62 VAL N N 76 115.858 115.858 117.667 -1.809 18393
4238 1 11 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.659 -0.003 18393
4239 1 11 . 1 1 62 62 VAL C C 76 178.051 178.051 177.764 0.287 18393
4240 1 11 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.263 0.388 18393
4241 1 11 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.771 0.076 18393
4242 1 11 . 1 1 62 62 VAL H H 76 8.124 8.124 7.580 0.544 18393
4243 1 11 . 1 1 63 63 LEU N N 77 119.881 119.881 119.117 0.764 18393
4244 1 11 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.085 0.104 18393
4245 1 11 . 1 1 63 63 LEU C C 77 179.692 179.692 178.806 0.886 18393
4246 1 11 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.954 0.630 18393
4247 1 11 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.588 0.328 18393
4248 1 11 . 1 1 63 63 LEU H H 77 7.038 7.038 7.369 -0.331 18393
4249 1 11 . 1 1 64 64 LEU N N 78 122.083 122.083 121.095 0.988 18393
4250 1 11 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.044 0.484 18393
4251 1 11 . 1 1 64 64 LEU C C 78 178.601 178.601 179.185 -0.584 18393
4252 1 11 . 1 1 64 64 LEU CA C 78 57.458 57.458 58.022 -0.564 18393
4253 1 11 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.842 -0.588 18393
4254 1 11 . 1 1 64 64 LEU H H 78 7.694 7.694 8.020 -0.326 18393
4255 1 11 . 1 1 65 65 LEU N N 79 120.548 120.548 117.836 2.712 18393
4256 1 11 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.023 -0.159 18393
4257 1 11 . 1 1 65 65 LEU C C 79 178.861 178.861 179.201 -0.340 18393
4258 1 11 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.093 0.384 18393
4259 1 11 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.207 0.411 18393
4260 1 11 . 1 1 65 65 LEU H H 79 8.671 8.671 8.030 0.641 18393
4261 1 11 . 1 1 66 66 GLU N N 80 117.398 117.398 118.592 -1.194 18393
4262 1 11 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.058 0.001 18393
4263 1 11 . 1 1 66 66 GLU C C 80 178.957 178.957 178.810 0.147 18393
4264 1 11 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.885 0.451 18393
4265 1 11 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.367 0.014 18393
4266 1 11 . 1 1 66 66 GLU H H 80 7.613 7.613 7.530 0.083 18393
4267 1 11 . 1 1 67 67 LEU N N 81 120.633 120.633 120.664 -0.031 18393
4268 1 11 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.058 0.102 18393
4269 1 11 . 1 1 67 67 LEU C C 81 180.162 180.162 179.419 0.743 18393
4270 1 11 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.955 0.158 18393
4271 1 11 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.191 -0.134 18393
4272 1 11 . 1 1 67 67 LEU H H 81 7.656 7.656 7.561 0.095 18393
4273 1 11 . 1 1 68 68 LEU N N 82 118.949 118.949 119.037 -0.088 18393
4274 1 11 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.219 -0.056 18393
4275 1 11 . 1 1 68 68 LEU C C 82 178.289 178.289 178.436 -0.147 18393
4276 1 11 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.579 0.276 18393
4277 1 11 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.103 0.915 18393
4278 1 11 . 1 1 68 68 LEU H H 82 8.583 8.583 8.697 -0.114 18393
4279 1 11 . 1 1 69 69 ASN N N 83 116.570 116.570 116.247 0.323 18393
4280 1 11 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.720 0.009 18393
4281 1 11 . 1 1 69 69 ASN C C 83 174.784 174.784 175.288 -0.504 18393
4282 1 11 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.922 -0.183 18393
4283 1 11 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.959 0.189 18393
4284 1 11 . 1 1 69 69 ASN H H 83 7.920 7.920 7.658 0.262 18393
4285 1 11 . 1 1 70 70 LYS N N 84 120.363 120.363 119.844 0.519 18393
4286 1 11 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.631 -0.227 18393
4287 1 11 . 1 1 70 70 LYS C C 84 175.910 175.910 175.330 0.580 18393
4288 1 11 . 1 1 70 70 LYS CA C 84 56.836 56.836 54.932 1.904 18393
4289 1 11 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.606 0.393 18393
4290 1 11 . 1 1 70 70 LYS H H 84 7.593 7.593 7.707 -0.114 18393
4291 1 12 . 1 1 2 2 ASP N N 16 119.381 119.381 121.578 -2.197 18393
4292 1 12 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.422 -0.082 18393
4293 1 12 . 1 1 2 2 ASP C C 16 178.935 178.935 178.114 0.821 18393
4294 1 12 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.862 -0.154 18393
4295 1 12 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.708 -0.027 18393
4296 1 12 . 1 1 2 2 ASP H H 16 8.320 8.320 8.621 -0.301 18393
4297 1 12 . 1 1 3 3 ILE N N 17 121.475 121.475 121.071 0.404 18393
4298 1 12 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.862 -0.316 18393
4299 1 12 . 1 1 3 3 ILE C C 17 177.116 177.116 178.127 -1.011 18393
4300 1 12 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.223 1.010 18393
4301 1 12 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.115 0.586 18393
4302 1 12 . 1 1 3 3 ILE H H 17 7.793 7.793 8.088 -0.295 18393
4303 1 12 . 1 1 4 4 CYS N N 18 117.506 117.506 118.051 -0.545 18393
4304 1 12 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.331 -0.389 18393
4305 1 12 . 1 1 4 4 CYS C C 18 176.671 176.671 177.220 -0.549 18393
4306 1 12 . 1 1 4 4 CYS CA C 18 64.624 64.624 63.375 1.249 18393
4307 1 12 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.627 -0.662 18393
4308 1 12 . 1 1 4 4 CYS H H 18 7.823 7.823 8.188 -0.365 18393
4309 1 12 . 1 1 5 5 LEU N N 19 118.832 118.832 122.755 -3.923 18393
4310 1 12 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.120 -0.024 18393
4311 1 12 . 1 1 5 5 LEU C C 19 180.698 180.698 179.522 1.176 18393
4312 1 12 . 1 1 5 5 LEU CA C 19 57.937 57.937 58.016 -0.079 18393
4313 1 12 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.893 0.173 18393
4314 1 12 . 1 1 5 5 LEU H H 19 8.101 8.101 8.460 -0.359 18393
4315 1 12 . 1 1 6 6 ARG N N 20 119.443 119.443 120.208 -0.765 18393
4316 1 12 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.942 -0.008 18393
4317 1 12 . 1 1 6 6 ARG C C 20 178.169 178.169 177.881 0.288 18393
4318 1 12 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.860 0.015 18393
4319 1 12 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.141 -0.161 18393
4320 1 12 . 1 1 6 6 ARG H H 20 7.934 7.934 8.407 -0.473 18393
4321 1 12 . 1 1 7 7 LYS N N 21 116.636 116.636 115.839 0.797 18393
4322 1 12 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.887 -0.114 18393
4323 1 12 . 1 1 7 7 LYS C C 21 175.224 175.224 175.622 -0.398 18393
4324 1 12 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.263 -0.185 18393
4325 1 12 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.859 -0.342 18393
4326 1 12 . 1 1 7 7 LYS H H 21 7.553 7.553 7.522 0.031 18393
4327 1 12 . 1 1 8 8 ASN N N 22 114.898 114.898 114.579 0.319 18393
4328 1 12 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.445 -0.143 18393
4329 1 12 . 1 1 8 8 ASN C C 22 174.073 174.073 174.673 -0.600 18393
4330 1 12 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.298 0.135 18393
4331 1 12 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.547 -0.530 18393
4332 1 12 . 1 1 8 8 ASN H H 22 7.640 7.640 7.602 0.038 18393
4333 1 12 . 1 1 9 9 TRP N N 23 120.563 120.563 119.400 1.163 18393
4334 1 12 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.042 0.199 18393
4335 1 12 . 1 1 9 9 TRP C C 23 173.601 173.601 174.683 -1.082 18393
4336 1 12 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.385 -2.565 18393
4337 1 12 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.623 0.951 18393
4338 1 12 . 1 1 9 9 TRP H H 23 8.692 8.692 8.199 0.493 18393
4339 1 12 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.497 -0.038 18393
4340 1 12 . 1 1 10 10 PRO C C 24 175.391 175.391 176.442 -1.051 18393
4341 1 12 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.223 -0.125 18393
4342 1 12 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.416 -0.834 18393
4343 1 12 . 1 1 11 11 MET N N 25 116.562 116.562 118.528 -1.966 18393
4344 1 12 . 1 1 11 11 MET HA H 25 4.751 4.751 4.742 0.009 18393
4345 1 12 . 1 1 11 11 MET C C 25 175.240 175.240 175.121 0.119 18393
4346 1 12 . 1 1 11 11 MET CA C 25 53.800 53.800 52.508 1.292 18393
4347 1 12 . 1 1 11 11 MET CB C 25 30.695 30.695 30.928 -0.233 18393
4348 1 12 . 1 1 11 11 MET H H 25 8.201 8.201 8.389 -0.188 18393
4349 1 12 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.730 -0.406 18393
4350 1 12 . 1 1 12 12 PRO C C 26 174.890 174.890 176.202 -1.312 18393
4351 1 12 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.756 0.725 18393
4352 1 12 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.617 0.108 18393
4353 1 12 . 1 1 13 13 SER N N 27 116.608 116.608 115.683 0.925 18393
4354 1 12 . 1 1 13 13 SER HA H 27 4.781 4.781 4.674 0.107 18393
4355 1 12 . 1 1 13 13 SER C C 27 173.365 173.365 173.677 -0.312 18393
4356 1 12 . 1 1 13 13 SER CA C 27 57.219 57.219 58.368 -1.149 18393
4357 1 12 . 1 1 13 13 SER CB C 27 64.227 64.227 64.024 0.203 18393
4358 1 12 . 1 1 13 13 SER H H 27 8.555 8.555 8.511 0.044 18393
4359 1 12 . 1 1 14 14 TYR N N 28 125.256 125.256 123.557 1.699 18393
4360 1 12 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.086 0.535 18393
4361 1 12 . 1 1 14 14 TYR C C 28 176.175 176.175 175.096 1.079 18393
4362 1 12 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.877 -0.313 18393
4363 1 12 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.754 1.107 18393
4364 1 12 . 1 1 14 14 TYR H H 28 8.939 8.939 8.587 0.352 18393
4365 1 12 . 1 1 15 15 ARG N N 29 120.540 120.540 124.838 -4.298 18393
4366 1 12 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.784 -0.242 18393
4367 1 12 . 1 1 15 15 ARG C C 29 173.134 173.134 174.817 -1.683 18393
4368 1 12 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.947 -0.127 18393
4369 1 12 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.260 0.461 18393
4370 1 12 . 1 1 15 15 ARG H H 29 9.159 9.159 8.932 0.227 18393
4371 1 12 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.534 -1.637 18393
4372 1 12 . 1 1 16 16 CYS C C 30 174.180 174.180 175.741 -1.561 18393
4373 1 12 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.649 -0.930 18393
4374 1 12 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.411 -2.305 18393
4375 1 12 . 1 1 17 17 VAL N N 31 132.259 132.259 124.750 7.509 18393
4376 1 12 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.281 -0.630 18393
4377 1 12 . 1 1 17 17 VAL C C 31 175.711 175.711 175.394 0.317 18393
4378 1 12 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.498 0.588 18393
4379 1 12 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.160 0.352 18393
4380 1 12 . 1 1 17 17 VAL H H 31 8.659 8.659 8.582 0.077 18393
4381 1 12 . 1 1 18 18 LYS N N 32 118.630 118.630 121.708 -3.078 18393
4382 1 12 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.626 -0.266 18393
4383 1 12 . 1 1 18 18 LYS C C 32 173.015 173.015 174.064 -1.049 18393
4384 1 12 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.316 1.086 18393
4385 1 12 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.947 1.057 18393
4386 1 12 . 1 1 18 18 LYS H H 32 7.673 7.673 8.191 -0.518 18393
4387 1 12 . 1 1 19 19 GLU N N 33 125.800 125.800 127.075 -1.275 18393
4388 1 12 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.748 0.105 18393
4389 1 12 . 1 1 19 19 GLU C C 33 175.060 175.060 175.533 -0.473 18393
4390 1 12 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.957 -1.393 18393
4391 1 12 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.436 -0.299 18393
4392 1 12 . 1 1 19 19 GLU H H 33 8.431 8.431 8.742 -0.311 18393
4393 1 12 . 1 1 20 20 GLY N N 34 111.079 111.079 113.775 -2.696 18393
4394 1 12 . 1 1 20 20 GLY C C 34 172.318 172.318 172.732 -0.414 18393
4395 1 12 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.097 -0.456 18393
4396 1 12 . 1 1 20 20 GLY H H 34 8.345 8.345 8.260 0.085 18393
4397 1 12 . 1 1 21 21 GLY N N 35 107.395 107.395 107.181 0.214 18393
4398 1 12 . 1 1 21 21 GLY C C 35 171.757 171.757 172.738 -0.981 18393
4399 1 12 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.934 -1.197 18393
4400 1 12 . 1 1 21 21 GLY H H 35 8.184 8.184 7.913 0.271 18393
4401 1 12 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.284 0.192 18393
4402 1 12 . 1 1 22 22 PRO C C 36 177.171 177.171 176.392 0.779 18393
4403 1 12 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.442 -2.179 18393
4404 1 12 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.074 0.187 18393
4405 1 12 . 1 1 23 23 ALA N N 37 120.595 120.595 115.408 5.187 18393
4406 1 12 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.282 -0.459 18393
4407 1 12 . 1 1 23 23 ALA C C 37 178.547 178.547 177.474 1.073 18393
4408 1 12 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.237 3.256 18393
4409 1 12 . 1 1 23 23 ALA CB C 37 18.551 18.551 19.075 -0.524 18393
4410 1 12 . 1 1 23 23 ALA H H 37 8.580 8.580 7.550 1.030 18393
4411 1 12 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.572 0.043 18393
4412 1 12 . 1 1 24 24 HIS C C 38 174.890 174.890 174.307 0.583 18393
4413 1 12 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.370 -0.509 18393
4414 1 12 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.422 0.938 18393
4415 1 12 . 1 1 25 25 ALA N N 39 128.271 128.271 121.986 6.285 18393
4416 1 12 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.496 -0.022 18393
4417 1 12 . 1 1 25 25 ALA C C 39 174.351 174.351 176.903 -2.552 18393
4418 1 12 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.486 -0.170 18393
4419 1 12 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.102 -0.991 18393
4420 1 12 . 1 1 25 25 ALA H H 39 7.697 7.697 7.740 -0.043 18393
4421 1 12 . 1 1 26 26 LYS N N 40 121.927 121.927 119.258 2.669 18393
4422 1 12 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.260 -0.142 18393
4423 1 12 . 1 1 26 26 LYS C C 40 177.551 177.551 174.796 2.755 18393
4424 1 12 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.151 1.993 18393
4425 1 12 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.297 0.774 18393
4426 1 12 . 1 1 26 26 LYS H H 40 7.990 7.990 7.753 0.237 18393
4427 1 12 . 1 1 27 27 ARG N N 41 119.572 119.572 118.316 1.256 18393
4428 1 12 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.122 0.516 18393
4429 1 12 . 1 1 27 27 ARG C C 41 174.770 174.770 175.455 -0.685 18393
4430 1 12 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.027 -1.549 18393
4431 1 12 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.504 2.886 18393
4432 1 12 . 1 1 27 27 ARG H H 41 8.296 8.296 7.298 0.998 18393
4433 1 12 . 1 1 28 28 PHE N N 42 120.381 120.381 123.707 -3.326 18393
4434 1 12 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.348 -0.301 18393
4435 1 12 . 1 1 28 28 PHE C C 42 174.407 174.407 175.780 -1.373 18393
4436 1 12 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.310 1.716 18393
4437 1 12 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.934 2.195 18393
4438 1 12 . 1 1 28 28 PHE H H 42 9.339 9.339 8.837 0.502 18393
4439 1 12 . 1 1 29 29 THR N N 43 117.999 117.999 118.286 -0.287 18393
4440 1 12 . 1 1 29 29 THR HA H 43 4.704 4.704 4.847 -0.143 18393
4441 1 12 . 1 1 29 29 THR C C 43 173.713 173.713 172.884 0.829 18393
4442 1 12 . 1 1 29 29 THR CA C 43 62.117 62.117 61.523 0.594 18393
4443 1 12 . 1 1 29 29 THR CB C 43 70.104 70.104 71.247 -1.143 18393
4444 1 12 . 1 1 29 29 THR H H 43 8.949 8.949 9.241 -0.292 18393
4445 1 12 . 1 1 30 30 PHE N N 44 129.592 129.592 125.932 3.660 18393
4446 1 12 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.076 0.319 18393
4447 1 12 . 1 1 30 30 PHE C C 44 173.221 173.221 172.870 0.351 18393
4448 1 12 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.243 0.180 18393
4449 1 12 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.677 1.240 18393
4450 1 12 . 1 1 30 30 PHE H H 44 10.048 10.048 8.773 1.275 18393
4451 1 12 . 1 1 31 31 GLY N N 45 105.921 105.921 109.049 -3.128 18393
4452 1 12 . 1 1 31 31 GLY C C 45 172.774 172.774 171.939 0.835 18393
4453 1 12 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.319 0.218 18393
4454 1 12 . 1 1 31 31 GLY H H 45 9.290 9.290 7.981 1.309 18393
4455 1 12 . 1 1 32 32 VAL N N 46 121.311 121.311 120.852 0.459 18393
4456 1 12 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.783 0.567 18393
4457 1 12 . 1 1 32 32 VAL C C 46 171.140 171.140 175.040 -3.900 18393
4458 1 12 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.111 -0.279 18393
4459 1 12 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.173 2.214 18393
4460 1 12 . 1 1 32 32 VAL H H 46 8.906 8.906 7.818 1.088 18393
4461 1 12 . 1 1 33 33 ARG N N 47 122.102 122.102 119.699 2.403 18393
4462 1 12 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.058 -0.487 18393
4463 1 12 . 1 1 33 33 ARG C C 47 173.683 173.683 174.409 -0.726 18393
4464 1 12 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.664 0.294 18393
4465 1 12 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.925 1.791 18393
4466 1 12 . 1 1 33 33 ARG H H 47 8.008 8.008 7.869 0.139 18393
4467 1 12 . 1 1 34 34 VAL N N 48 117.391 117.391 120.282 -2.891 18393
4468 1 12 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.490 0.297 18393
4469 1 12 . 1 1 34 34 VAL C C 48 172.777 172.777 173.860 -1.083 18393
4470 1 12 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.183 -0.213 18393
4471 1 12 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.143 0.169 18393
4472 1 12 . 1 1 34 34 VAL H H 48 8.103 8.103 9.160 -1.057 18393
4473 1 12 . 1 1 35 35 ASN N N 49 127.065 127.065 122.178 4.887 18393
4474 1 12 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.219 -0.683 18393
4475 1 12 . 1 1 35 35 ASN C C 49 174.221 174.221 174.184 0.037 18393
4476 1 12 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.557 -0.950 18393
4477 1 12 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.808 -3.066 18393
4478 1 12 . 1 1 35 35 ASN H H 49 8.543 8.543 8.497 0.046 18393
4479 1 12 . 1 1 36 36 THR N N 50 114.402 114.402 117.164 -2.762 18393
4480 1 12 . 1 1 36 36 THR HA H 50 2.159 2.159 2.878 -0.719 18393
4481 1 12 . 1 1 36 36 THR C C 50 175.168 175.168 175.762 -0.594 18393
4482 1 12 . 1 1 36 36 THR CA C 50 61.126 61.126 61.791 -0.665 18393
4483 1 12 . 1 1 36 36 THR CB C 50 69.987 69.987 68.814 1.173 18393
4484 1 12 . 1 1 36 36 THR H H 50 6.801 6.801 7.707 -0.906 18393
4485 1 12 . 1 1 37 37 SER N N 51 114.587 114.587 120.968 -6.381 18393
4486 1 12 . 1 1 37 37 SER HA H 51 4.105 4.105 4.062 0.043 18393
4487 1 12 . 1 1 37 37 SER C C 51 174.760 174.760 174.398 0.362 18393
4488 1 12 . 1 1 37 37 SER CA C 51 59.958 59.958 61.092 -1.134 18393
4489 1 12 . 1 1 37 37 SER CB C 51 63.115 63.115 63.264 -0.149 18393
4490 1 12 . 1 1 37 37 SER H H 51 6.797 6.797 8.529 -1.732 18393
4491 1 12 . 1 1 38 38 ASP N N 52 117.329 117.329 115.952 1.377 18393
4492 1 12 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.716 -0.127 18393
4493 1 12 . 1 1 38 38 ASP C C 52 177.236 177.236 175.968 1.268 18393
4494 1 12 . 1 1 38 38 ASP CA C 52 54.550 54.550 53.908 0.642 18393
4495 1 12 . 1 1 38 38 ASP CB C 52 40.606 40.606 41.178 -0.573 18393
4496 1 12 . 1 1 38 38 ASP H H 52 8.784 8.784 7.896 0.888 18393
4497 1 12 . 1 1 39 39 ARG N N 53 118.330 118.330 119.542 -1.212 18393
4498 1 12 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.546 -0.050 18393
4499 1 12 . 1 1 39 39 ARG C C 53 176.062 176.062 175.653 0.409 18393
4500 1 12 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.554 -1.504 18393
4501 1 12 . 1 1 39 39 ARG CB C 53 31.441 31.441 32.942 -1.501 18393
4502 1 12 . 1 1 39 39 ARG H H 53 7.666 7.666 8.015 -0.349 18393
4503 1 12 . 1 1 40 40 GLY N N 54 110.510 110.510 107.111 3.399 18393
4504 1 12 . 1 1 40 40 GLY C C 54 177.680 177.680 172.253 5.427 18393
4505 1 12 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.272 0.405 18393
4506 1 12 . 1 1 40 40 GLY H H 54 7.248 7.248 7.620 -0.372 18393
4507 1 12 . 1 1 41 41 TRP N N 55 123.328 123.328 123.354 -0.026 18393
4508 1 12 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.712 0.207 18393
4509 1 12 . 1 1 41 41 TRP C C 55 178.873 178.873 177.378 1.495 18393
4510 1 12 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.606 0.511 18393
4511 1 12 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.606 0.168 18393
4512 1 12 . 1 1 41 41 TRP H H 55 8.289 8.289 8.305 -0.016 18393
4513 1 12 . 1 1 42 42 THR N N 56 114.627 114.627 118.955 -4.328 18393
4514 1 12 . 1 1 42 42 THR HA H 56 4.329 4.329 4.315 0.014 18393
4515 1 12 . 1 1 42 42 THR C C 56 175.261 175.261 174.720 0.541 18393
4516 1 12 . 1 1 42 42 THR CA C 56 61.698 61.698 61.444 0.254 18393
4517 1 12 . 1 1 42 42 THR CB C 56 72.359 72.359 69.712 2.647 18393
4518 1 12 . 1 1 42 42 THR H H 56 8.972 8.972 8.549 0.423 18393
4519 1 12 . 1 1 43 43 ASP N N 57 120.151 120.151 121.249 -1.098 18393
4520 1 12 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.461 -0.016 18393
4521 1 12 . 1 1 43 43 ASP C C 57 175.710 175.710 176.435 -0.725 18393
4522 1 12 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.163 0.214 18393
4523 1 12 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.250 -0.378 18393
4524 1 12 . 1 1 43 43 ASP H H 57 8.379 8.379 8.362 0.017 18393
4525 1 12 . 1 1 44 44 GLU N N 58 122.449 122.449 123.504 -1.055 18393
4526 1 12 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.560 -0.095 18393
4527 1 12 . 1 1 44 44 GLU C C 58 176.412 176.412 176.779 -0.367 18393
4528 1 12 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.728 -1.257 18393
4529 1 12 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.932 1.126 18393
4530 1 12 . 1 1 44 44 GLU H H 58 8.581 8.581 8.607 -0.026 18393
4531 1 12 . 1 1 45 45 CYS N N 59 126.725 126.725 127.997 -1.272 18393
4532 1 12 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.475 0.220 18393
4533 1 12 . 1 1 45 45 CYS C C 59 173.364 173.364 174.087 -0.723 18393
4534 1 12 . 1 1 45 45 CYS CA C 59 58.920 58.920 58.003 0.917 18393
4535 1 12 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.232 3.452 18393
4536 1 12 . 1 1 45 45 CYS H H 59 8.671 8.671 8.810 -0.139 18393
4537 1 12 . 1 1 46 46 ILE N N 60 126.614 126.614 126.871 -0.257 18393
4538 1 12 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.303 0.390 18393
4539 1 12 . 1 1 46 46 ILE C C 60 176.175 176.175 176.727 -0.552 18393
4540 1 12 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.205 0.571 18393
4541 1 12 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.364 0.982 18393
4542 1 12 . 1 1 46 46 ILE H H 60 8.735 8.735 7.879 0.856 18393
4543 1 12 . 1 1 47 47 GLY N N 61 112.366 112.366 116.620 -4.254 18393
4544 1 12 . 1 1 47 47 GLY C C 61 171.844 171.844 173.649 -1.805 18393
4545 1 12 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.202 0.081 18393
4546 1 12 . 1 1 47 47 GLY H H 61 8.610 8.610 8.777 -0.167 18393
4547 1 12 . 1 1 48 48 GLU N N 62 115.030 115.030 120.018 -4.988 18393
4548 1 12 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.626 -0.081 18393
4549 1 12 . 1 1 48 48 GLU C C 62 174.927 174.927 174.651 0.276 18393
4550 1 12 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.120 -0.238 18393
4551 1 12 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.957 0.392 18393
4552 1 12 . 1 1 48 48 GLU H H 62 8.214 8.214 7.987 0.227 18393
4553 1 12 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.505 0.359 18393
4554 1 12 . 1 1 49 49 PRO C C 63 178.286 178.286 176.196 2.090 18393
4555 1 12 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.494 -1.234 18393
4556 1 12 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.632 -0.365 18393
4557 1 12 . 1 1 50 50 MET N N 64 123.505 123.505 124.610 -1.105 18393
4558 1 12 . 1 1 50 50 MET HA H 64 5.530 5.530 4.903 0.627 18393
4559 1 12 . 1 1 50 50 MET C C 64 176.337 176.337 174.736 1.601 18393
4560 1 12 . 1 1 50 50 MET CA C 64 51.674 51.674 51.511 0.163 18393
4561 1 12 . 1 1 50 50 MET CB C 64 37.597 37.597 33.419 4.178 18393
4562 1 12 . 1 1 50 50 MET H H 64 9.267 9.267 8.990 0.277 18393
4563 1 12 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.372 0.714 18393
4564 1 12 . 1 1 51 51 PRO C C 65 174.862 174.862 175.951 -1.089 18393
4565 1 12 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.216 0.450 18393
4566 1 12 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.459 1.068 18393
4567 1 12 . 1 1 52 52 SER N N 66 109.598 109.598 112.385 -2.787 18393
4568 1 12 . 1 1 52 52 SER HA H 66 4.813 4.813 4.832 -0.019 18393
4569 1 12 . 1 1 52 52 SER C C 66 173.368 173.368 174.664 -1.296 18393
4570 1 12 . 1 1 52 52 SER CA C 66 55.463 55.463 56.801 -1.338 18393
4571 1 12 . 1 1 52 52 SER CB C 66 66.775 66.775 65.550 1.225 18393
4572 1 12 . 1 1 52 52 SER H H 66 7.165 7.165 7.244 -0.079 18393
4573 1 12 . 1 1 53 53 VAL N N 67 124.347 124.347 123.626 0.721 18393
4574 1 12 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.022 -1.192 18393
4575 1 12 . 1 1 53 53 VAL C C 67 177.116 177.116 176.619 0.497 18393
4576 1 12 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.066 2.764 18393
4577 1 12 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.736 -0.412 18393
4578 1 12 . 1 1 53 53 VAL H H 67 8.522 8.522 8.803 -0.281 18393
4579 1 12 . 1 1 54 54 LYS N N 68 118.639 118.639 120.322 -1.683 18393
4580 1 12 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.027 -0.558 18393
4581 1 12 . 1 1 54 54 LYS C C 68 178.286 178.286 178.282 0.004 18393
4582 1 12 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.777 0.573 18393
4583 1 12 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.294 0.070 18393
4584 1 12 . 1 1 54 54 LYS H H 68 8.098 8.098 7.631 0.467 18393
4585 1 12 . 1 1 55 55 LYS N N 69 115.388 115.388 117.619 -2.231 18393
4586 1 12 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.673 -0.579 18393
4587 1 12 . 1 1 55 55 LYS C C 69 179.694 179.694 178.429 1.265 18393
4588 1 12 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.089 0.739 18393
4589 1 12 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.216 0.623 18393
4590 1 12 . 1 1 55 55 LYS H H 69 7.499 7.499 7.926 -0.427 18393
4591 1 12 . 1 1 56 56 ALA N N 70 124.226 124.226 124.565 -0.339 18393
4592 1 12 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.165 -0.016 18393
4593 1 12 . 1 1 56 56 ALA C C 70 181.217 181.217 179.347 1.870 18393
4594 1 12 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.377 0.340 18393
4595 1 12 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.500 2.010 18393
4596 1 12 . 1 1 56 56 ALA H H 70 8.296 8.296 7.891 0.405 18393
4597 1 12 . 1 1 57 57 LYS N N 71 120.522 120.522 118.070 2.452 18393
4598 1 12 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.082 -0.439 18393
4599 1 12 . 1 1 57 57 LYS C C 71 177.937 177.937 178.993 -1.056 18393
4600 1 12 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.142 0.945 18393
4601 1 12 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.899 0.229 18393
4602 1 12 . 1 1 57 57 LYS H H 71 8.385 8.385 7.502 0.883 18393
4603 1 12 . 1 1 58 58 ASP N N 72 119.428 119.428 120.036 -0.608 18393
4604 1 12 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.440 -0.134 18393
4605 1 12 . 1 1 58 58 ASP C C 72 177.042 177.042 178.863 -1.821 18393
4606 1 12 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.517 0.623 18393
4607 1 12 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.489 -0.364 18393
4608 1 12 . 1 1 58 58 ASP H H 72 8.029 8.029 7.680 0.349 18393
4609 1 12 . 1 1 59 59 SER N N 73 111.435 111.435 115.717 -4.282 18393
4610 1 12 . 1 1 59 59 SER HA H 73 4.243 4.243 4.138 0.105 18393
4611 1 12 . 1 1 59 59 SER C C 73 177.000 177.000 176.303 0.697 18393
4612 1 12 . 1 1 59 59 SER CA C 73 63.579 63.579 61.379 2.200 18393
4613 1 12 . 1 1 59 59 SER CB C 73 60.947 60.947 63.070 -2.123 18393
4614 1 12 . 1 1 59 59 SER H H 73 7.785 7.785 8.196 -0.411 18393
4615 1 12 . 1 1 60 60 ALA N N 74 120.363 120.363 123.516 -3.153 18393
4616 1 12 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.977 -0.014 18393
4617 1 12 . 1 1 60 60 ALA C C 74 178.170 178.170 179.409 -1.239 18393
4618 1 12 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.999 0.499 18393
4619 1 12 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.320 -0.409 18393
4620 1 12 . 1 1 60 60 ALA H H 74 7.472 7.472 7.708 -0.236 18393
4621 1 12 . 1 1 61 61 ALA N N 75 118.116 118.116 121.609 -3.493 18393
4622 1 12 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.060 -0.112 18393
4623 1 12 . 1 1 61 61 ALA C C 75 179.341 179.341 179.510 -0.169 18393
4624 1 12 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.279 0.381 18393
4625 1 12 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.396 0.546 18393
4626 1 12 . 1 1 61 61 ALA H H 75 8.653 8.653 8.384 0.269 18393
4627 1 12 . 1 1 62 62 VAL N N 76 115.858 115.858 117.120 -1.262 18393
4628 1 12 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.774 -0.118 18393
4629 1 12 . 1 1 62 62 VAL C C 76 178.051 178.051 178.001 0.050 18393
4630 1 12 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.285 0.366 18393
4631 1 12 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.068 0.779 18393
4632 1 12 . 1 1 62 62 VAL H H 76 8.124 8.124 7.748 0.376 18393
4633 1 12 . 1 1 63 63 LEU N N 77 119.881 119.881 118.876 1.005 18393
4634 1 12 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.086 0.103 18393
4635 1 12 . 1 1 63 63 LEU C C 77 179.692 179.692 179.210 0.482 18393
4636 1 12 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.192 0.392 18393
4637 1 12 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.576 0.340 18393
4638 1 12 . 1 1 63 63 LEU H H 77 7.038 7.038 7.363 -0.325 18393
4639 1 12 . 1 1 64 64 LEU N N 78 122.083 122.083 121.939 0.144 18393
4640 1 12 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.148 0.380 18393
4641 1 12 . 1 1 64 64 LEU C C 78 178.601 178.601 178.622 -0.021 18393
4642 1 12 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.674 -0.216 18393
4643 1 12 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.870 -0.616 18393
4644 1 12 . 1 1 64 64 LEU H H 78 7.694 7.694 8.027 -0.333 18393
4645 1 12 . 1 1 65 65 LEU N N 79 120.548 120.548 118.443 2.105 18393
4646 1 12 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.973 -0.109 18393
4647 1 12 . 1 1 65 65 LEU C C 79 178.861 178.861 178.843 0.018 18393
4648 1 12 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.339 0.138 18393
4649 1 12 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.365 0.253 18393
4650 1 12 . 1 1 65 65 LEU H H 79 8.671 8.671 8.602 0.069 18393
4651 1 12 . 1 1 66 66 GLU N N 80 117.398 117.398 117.807 -0.409 18393
4652 1 12 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.074 -0.015 18393
4653 1 12 . 1 1 66 66 GLU C C 80 178.957 178.957 178.486 0.471 18393
4654 1 12 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.764 0.572 18393
4655 1 12 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.431 -0.050 18393
4656 1 12 . 1 1 66 66 GLU H H 80 7.613 7.613 7.546 0.067 18393
4657 1 12 . 1 1 67 67 LEU N N 81 120.633 120.633 120.230 0.403 18393
4658 1 12 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.070 0.090 18393
4659 1 12 . 1 1 67 67 LEU C C 81 180.162 180.162 179.257 0.905 18393
4660 1 12 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.848 0.265 18393
4661 1 12 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.291 -0.234 18393
4662 1 12 . 1 1 67 67 LEU H H 81 7.656 7.656 7.399 0.257 18393
4663 1 12 . 1 1 68 68 LEU N N 82 118.949 118.949 118.654 0.295 18393
4664 1 12 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.223 -0.060 18393
4665 1 12 . 1 1 68 68 LEU C C 82 178.289 178.289 178.437 -0.148 18393
4666 1 12 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.228 0.627 18393
4667 1 12 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.349 0.669 18393
4668 1 12 . 1 1 68 68 LEU H H 82 8.583 8.583 8.306 0.277 18393
4669 1 12 . 1 1 69 69 ASN N N 83 116.570 116.570 115.977 0.593 18393
4670 1 12 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.724 0.005 18393
4671 1 12 . 1 1 69 69 ASN C C 83 174.784 174.784 175.479 -0.695 18393
4672 1 12 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.327 -0.588 18393
4673 1 12 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.102 0.046 18393
4674 1 12 . 1 1 69 69 ASN H H 83 7.920 7.920 7.508 0.412 18393
4675 1 12 . 1 1 70 70 LYS N N 84 120.363 120.363 119.112 1.251 18393
4676 1 12 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.643 -0.239 18393
4677 1 12 . 1 1 70 70 LYS C C 84 175.910 175.910 175.224 0.686 18393
4678 1 12 . 1 1 70 70 LYS CA C 84 56.836 56.836 54.736 2.100 18393
4679 1 12 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.583 0.416 18393
4680 1 12 . 1 1 70 70 LYS H H 84 7.593 7.593 7.659 -0.066 18393
4681 1 13 . 1 1 2 2 ASP N N 16 119.381 119.381 122.421 -3.040 18393
4682 1 13 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.397 -0.057 18393
4683 1 13 . 1 1 2 2 ASP C C 16 178.935 178.935 177.768 1.167 18393
4684 1 13 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.754 -0.046 18393
4685 1 13 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.730 -0.049 18393
4686 1 13 . 1 1 2 2 ASP H H 16 8.320 8.320 8.814 -0.494 18393
4687 1 13 . 1 1 3 3 ILE N N 17 121.475 121.475 119.758 1.717 18393
4688 1 13 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.771 -0.225 18393
4689 1 13 . 1 1 3 3 ILE C C 17 177.116 177.116 177.700 -0.584 18393
4690 1 13 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.377 0.856 18393
4691 1 13 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.541 0.160 18393
4692 1 13 . 1 1 3 3 ILE H H 17 7.793 7.793 8.194 -0.401 18393
4693 1 13 . 1 1 4 4 CYS N N 18 117.506 117.506 117.977 -0.471 18393
4694 1 13 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.347 -0.405 18393
4695 1 13 . 1 1 4 4 CYS C C 18 176.671 176.671 177.066 -0.395 18393
4696 1 13 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.808 1.816 18393
4697 1 13 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.846 -0.881 18393
4698 1 13 . 1 1 4 4 CYS H H 18 7.823 7.823 7.946 -0.123 18393
4699 1 13 . 1 1 5 5 LEU N N 19 118.832 118.832 122.167 -3.335 18393
4700 1 13 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.178 -0.082 18393
4701 1 13 . 1 1 5 5 LEU C C 19 180.698 180.698 179.256 1.442 18393
4702 1 13 . 1 1 5 5 LEU CA C 19 57.937 57.937 58.000 -0.063 18393
4703 1 13 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.801 0.265 18393
4704 1 13 . 1 1 5 5 LEU H H 19 8.101 8.101 8.478 -0.377 18393
4705 1 13 . 1 1 6 6 ARG N N 20 119.443 119.443 119.309 0.134 18393
4706 1 13 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.018 -0.084 18393
4707 1 13 . 1 1 6 6 ARG C C 20 178.169 178.169 178.044 0.125 18393
4708 1 13 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.075 0.799 18393
4709 1 13 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.819 0.161 18393
4710 1 13 . 1 1 6 6 ARG H H 20 7.934 7.934 7.887 0.047 18393
4711 1 13 . 1 1 7 7 LYS N N 21 116.636 116.636 116.368 0.268 18393
4712 1 13 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.830 -0.057 18393
4713 1 13 . 1 1 7 7 LYS C C 21 175.224 175.224 175.723 -0.499 18393
4714 1 13 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.003 0.075 18393
4715 1 13 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.544 -0.027 18393
4716 1 13 . 1 1 7 7 LYS H H 21 7.553 7.553 7.581 -0.028 18393
4717 1 13 . 1 1 8 8 ASN N N 22 114.898 114.898 114.591 0.307 18393
4718 1 13 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.406 -0.104 18393
4719 1 13 . 1 1 8 8 ASN C C 22 174.073 174.073 174.565 -0.492 18393
4720 1 13 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.233 0.200 18393
4721 1 13 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.635 -0.618 18393
4722 1 13 . 1 1 8 8 ASN H H 22 7.640 7.640 7.674 -0.034 18393
4723 1 13 . 1 1 9 9 TRP N N 23 120.563 120.563 118.773 1.790 18393
4724 1 13 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.151 0.090 18393
4725 1 13 . 1 1 9 9 TRP C C 23 173.601 173.601 174.951 -1.350 18393
4726 1 13 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.125 -2.305 18393
4727 1 13 . 1 1 9 9 TRP CB C 23 29.574 29.574 29.029 0.545 18393
4728 1 13 . 1 1 9 9 TRP H H 23 8.692 8.692 7.719 0.973 18393
4729 1 13 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.449 0.010 18393
4730 1 13 . 1 1 10 10 PRO C C 24 175.391 175.391 176.582 -1.191 18393
4731 1 13 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.480 -0.382 18393
4732 1 13 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.450 -0.868 18393
4733 1 13 . 1 1 11 11 MET N N 25 116.562 116.562 118.791 -2.229 18393
4734 1 13 . 1 1 11 11 MET HA H 25 4.751 4.751 4.660 0.091 18393
4735 1 13 . 1 1 11 11 MET C C 25 175.240 175.240 175.155 0.085 18393
4736 1 13 . 1 1 11 11 MET CA C 25 53.800 53.800 53.309 0.491 18393
4737 1 13 . 1 1 11 11 MET CB C 25 30.695 30.695 30.791 -0.096 18393
4738 1 13 . 1 1 11 11 MET H H 25 8.201 8.201 8.418 -0.217 18393
4739 1 13 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.696 -0.372 18393
4740 1 13 . 1 1 12 12 PRO C C 26 174.890 174.890 176.184 -1.294 18393
4741 1 13 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.933 0.548 18393
4742 1 13 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.637 0.088 18393
4743 1 13 . 1 1 13 13 SER N N 27 116.608 116.608 115.760 0.848 18393
4744 1 13 . 1 1 13 13 SER HA H 27 4.781 4.781 4.778 0.003 18393
4745 1 13 . 1 1 13 13 SER C C 27 173.365 173.365 173.511 -0.146 18393
4746 1 13 . 1 1 13 13 SER CA C 27 57.219 57.219 58.216 -0.997 18393
4747 1 13 . 1 1 13 13 SER CB C 27 64.227 64.227 64.125 0.102 18393
4748 1 13 . 1 1 13 13 SER H H 27 8.555 8.555 8.684 -0.129 18393
4749 1 13 . 1 1 14 14 TYR N N 28 125.256 125.256 123.652 1.604 18393
4750 1 13 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.070 0.551 18393
4751 1 13 . 1 1 14 14 TYR C C 28 176.175 176.175 174.613 1.562 18393
4752 1 13 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.828 -0.265 18393
4753 1 13 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.798 1.063 18393
4754 1 13 . 1 1 14 14 TYR H H 28 8.939 8.939 8.690 0.249 18393
4755 1 13 . 1 1 15 15 ARG N N 29 120.540 120.540 126.023 -5.483 18393
4756 1 13 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.761 -0.219 18393
4757 1 13 . 1 1 15 15 ARG C C 29 173.134 173.134 175.147 -2.013 18393
4758 1 13 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.760 0.060 18393
4759 1 13 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.789 0.932 18393
4760 1 13 . 1 1 15 15 ARG H H 29 9.159 9.159 8.949 0.210 18393
4761 1 13 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.499 -1.602 18393
4762 1 13 . 1 1 16 16 CYS C C 30 174.180 174.180 175.253 -1.073 18393
4763 1 13 . 1 1 16 16 CYS CA C 30 58.719 58.719 61.036 -2.317 18393
4764 1 13 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.536 -1.430 18393
4765 1 13 . 1 1 17 17 VAL N N 31 132.259 132.259 126.210 6.049 18393
4766 1 13 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.043 -0.392 18393
4767 1 13 . 1 1 17 17 VAL C C 31 175.711 175.711 175.598 0.113 18393
4768 1 13 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.392 -0.306 18393
4769 1 13 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.452 0.060 18393
4770 1 13 . 1 1 17 17 VAL H H 31 8.659 8.659 8.588 0.071 18393
4771 1 13 . 1 1 18 18 LYS N N 32 118.630 118.630 119.798 -1.168 18393
4772 1 13 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.538 -0.178 18393
4773 1 13 . 1 1 18 18 LYS C C 32 173.015 173.015 174.142 -1.127 18393
4774 1 13 . 1 1 18 18 LYS CA C 32 56.402 56.402 54.950 1.452 18393
4775 1 13 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.168 0.836 18393
4776 1 13 . 1 1 18 18 LYS H H 32 7.673 7.673 8.195 -0.522 18393
4777 1 13 . 1 1 19 19 GLU N N 33 125.800 125.800 125.467 0.333 18393
4778 1 13 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.200 0.653 18393
4779 1 13 . 1 1 19 19 GLU C C 33 175.060 175.060 175.578 -0.518 18393
4780 1 13 . 1 1 19 19 GLU CA C 33 54.564 54.564 54.804 -0.240 18393
4781 1 13 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.441 -0.304 18393
4782 1 13 . 1 1 19 19 GLU H H 33 8.431 8.431 8.663 -0.232 18393
4783 1 13 . 1 1 20 20 GLY N N 34 111.079 111.079 109.267 1.812 18393
4784 1 13 . 1 1 20 20 GLY C C 34 172.318 172.318 173.548 -1.230 18393
4785 1 13 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.256 -0.615 18393
4786 1 13 . 1 1 20 20 GLY H H 34 8.345 8.345 7.961 0.384 18393
4787 1 13 . 1 1 21 21 GLY N N 35 107.395 107.395 108.531 -1.136 18393
4788 1 13 . 1 1 21 21 GLY C C 35 171.757 171.757 172.141 -0.384 18393
4789 1 13 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.544 -0.807 18393
4790 1 13 . 1 1 21 21 GLY H H 35 8.184 8.184 7.886 0.298 18393
4791 1 13 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.507 -0.031 18393
4792 1 13 . 1 1 22 22 PRO C C 36 177.171 177.171 176.075 1.096 18393
4793 1 13 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.148 0.115 18393
4794 1 13 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.090 0.171 18393
4795 1 13 . 1 1 23 23 ALA N N 37 120.595 120.595 119.308 1.287 18393
4796 1 13 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.087 -0.264 18393
4797 1 13 . 1 1 23 23 ALA C C 37 178.547 178.547 178.399 0.148 18393
4798 1 13 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.009 1.484 18393
4799 1 13 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.600 -0.049 18393
4800 1 13 . 1 1 23 23 ALA H H 37 8.580 8.580 8.092 0.488 18393
4801 1 13 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.421 0.194 18393
4802 1 13 . 1 1 24 24 HIS C C 38 174.890 174.890 174.613 0.277 18393
4803 1 13 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.808 -0.947 18393
4804 1 13 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.954 0.406 18393
4805 1 13 . 1 1 25 25 ALA N N 39 128.271 128.271 123.062 5.209 18393
4806 1 13 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.460 0.014 18393
4807 1 13 . 1 1 25 25 ALA C C 39 174.351 174.351 176.319 -1.968 18393
4808 1 13 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.307 0.009 18393
4809 1 13 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.022 -0.911 18393
4810 1 13 . 1 1 25 25 ALA H H 39 7.697 7.697 7.574 0.123 18393
4811 1 13 . 1 1 26 26 LYS N N 40 121.927 121.927 122.953 -1.026 18393
4812 1 13 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.322 -0.204 18393
4813 1 13 . 1 1 26 26 LYS C C 40 177.551 177.551 175.249 2.302 18393
4814 1 13 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.982 1.162 18393
4815 1 13 . 1 1 26 26 LYS CB C 40 33.072 33.072 33.726 -0.654 18393
4816 1 13 . 1 1 26 26 LYS H H 40 7.990 7.990 8.488 -0.498 18393
4817 1 13 . 1 1 27 27 ARG N N 41 119.572 119.572 117.666 1.906 18393
4818 1 13 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.686 -0.048 18393
4819 1 13 . 1 1 27 27 ARG C C 41 174.770 174.770 175.378 -0.608 18393
4820 1 13 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.514 -2.035 18393
4821 1 13 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.474 2.916 18393
4822 1 13 . 1 1 27 27 ARG H H 41 8.296 8.296 7.469 0.827 18393
4823 1 13 . 1 1 28 28 PHE N N 42 120.381 120.381 123.068 -2.687 18393
4824 1 13 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.322 -0.275 18393
4825 1 13 . 1 1 28 28 PHE C C 42 174.407 174.407 175.712 -1.305 18393
4826 1 13 . 1 1 28 28 PHE CA C 42 57.026 57.026 56.510 0.516 18393
4827 1 13 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.430 1.699 18393
4828 1 13 . 1 1 28 28 PHE H H 42 9.339 9.339 9.358 -0.019 18393
4829 1 13 . 1 1 29 29 THR N N 43 117.999 117.999 119.663 -1.664 18393
4830 1 13 . 1 1 29 29 THR HA H 43 4.704 4.704 4.802 -0.098 18393
4831 1 13 . 1 1 29 29 THR C C 43 173.713 173.713 172.897 0.816 18393
4832 1 13 . 1 1 29 29 THR CA C 43 62.117 62.117 61.828 0.289 18393
4833 1 13 . 1 1 29 29 THR CB C 43 70.104 70.104 71.047 -0.943 18393
4834 1 13 . 1 1 29 29 THR H H 43 8.949 8.949 9.018 -0.069 18393
4835 1 13 . 1 1 30 30 PHE N N 44 129.592 129.592 126.837 2.755 18393
4836 1 13 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.023 0.372 18393
4837 1 13 . 1 1 30 30 PHE C C 44 173.221 173.221 172.838 0.383 18393
4838 1 13 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.050 0.373 18393
4839 1 13 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.758 1.159 18393
4840 1 13 . 1 1 30 30 PHE H H 44 10.048 10.048 8.766 1.282 18393
4841 1 13 . 1 1 31 31 GLY N N 45 105.921 105.921 108.937 -3.016 18393
4842 1 13 . 1 1 31 31 GLY C C 45 172.774 172.774 171.987 0.787 18393
4843 1 13 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.421 0.117 18393
4844 1 13 . 1 1 31 31 GLY H H 45 9.290 9.290 7.929 1.361 18393
4845 1 13 . 1 1 32 32 VAL N N 46 121.311 121.311 121.075 0.236 18393
4846 1 13 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.786 0.564 18393
4847 1 13 . 1 1 32 32 VAL C C 46 171.140 171.140 174.843 -3.703 18393
4848 1 13 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.106 -0.274 18393
4849 1 13 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.232 2.155 18393
4850 1 13 . 1 1 32 32 VAL H H 46 8.906 8.906 8.086 0.820 18393
4851 1 13 . 1 1 33 33 ARG N N 47 122.102 122.102 119.330 2.772 18393
4852 1 13 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.099 -0.528 18393
4853 1 13 . 1 1 33 33 ARG C C 47 173.683 173.683 174.392 -0.709 18393
4854 1 13 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.686 0.272 18393
4855 1 13 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.865 1.851 18393
4856 1 13 . 1 1 33 33 ARG H H 47 8.008 8.008 7.930 0.078 18393
4857 1 13 . 1 1 34 34 VAL N N 48 117.391 117.391 120.392 -3.001 18393
4858 1 13 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.600 0.187 18393
4859 1 13 . 1 1 34 34 VAL C C 48 172.777 172.777 173.916 -1.139 18393
4860 1 13 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.236 -0.266 18393
4861 1 13 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.139 0.173 18393
4862 1 13 . 1 1 34 34 VAL H H 48 8.103 8.103 9.220 -1.117 18393
4863 1 13 . 1 1 35 35 ASN N N 49 127.065 127.065 121.119 5.946 18393
4864 1 13 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.495 -0.959 18393
4865 1 13 . 1 1 35 35 ASN C C 49 174.221 174.221 174.180 0.041 18393
4866 1 13 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.763 -1.156 18393
4867 1 13 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.045 -3.303 18393
4868 1 13 . 1 1 35 35 ASN H H 49 8.543 8.543 8.719 -0.176 18393
4869 1 13 . 1 1 36 36 THR N N 50 114.402 114.402 117.581 -3.179 18393
4870 1 13 . 1 1 36 36 THR HA H 50 2.159 2.159 2.985 -0.826 18393
4871 1 13 . 1 1 36 36 THR C C 50 175.168 175.168 175.058 0.110 18393
4872 1 13 . 1 1 36 36 THR CA C 50 61.126 61.126 60.919 0.207 18393
4873 1 13 . 1 1 36 36 THR CB C 50 69.987 69.987 68.403 1.585 18393
4874 1 13 . 1 1 36 36 THR H H 50 6.801 6.801 7.925 -1.124 18393
4875 1 13 . 1 1 37 37 SER N N 51 114.587 114.587 122.011 -7.424 18393
4876 1 13 . 1 1 37 37 SER HA H 51 4.105 4.105 3.974 0.131 18393
4877 1 13 . 1 1 37 37 SER C C 51 174.760 174.760 175.109 -0.349 18393
4878 1 13 . 1 1 37 37 SER CA C 51 59.958 59.958 61.487 -1.530 18393
4879 1 13 . 1 1 37 37 SER CB C 51 63.115 63.115 62.700 0.415 18393
4880 1 13 . 1 1 37 37 SER H H 51 6.797 6.797 8.341 -1.544 18393
4881 1 13 . 1 1 38 38 ASP N N 52 117.329 117.329 119.314 -1.985 18393
4882 1 13 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.484 0.105 18393
4883 1 13 . 1 1 38 38 ASP C C 52 177.236 177.236 176.765 0.471 18393
4884 1 13 . 1 1 38 38 ASP CA C 52 54.550 54.550 55.466 -0.916 18393
4885 1 13 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.572 0.034 18393
4886 1 13 . 1 1 38 38 ASP H H 52 8.784 8.784 8.443 0.341 18393
4887 1 13 . 1 1 39 39 ARG N N 53 118.330 118.330 118.318 0.012 18393
4888 1 13 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.479 0.017 18393
4889 1 13 . 1 1 39 39 ARG C C 53 176.062 176.062 176.221 -0.159 18393
4890 1 13 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.783 -0.733 18393
4891 1 13 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.514 -2.073 18393
4892 1 13 . 1 1 39 39 ARG H H 53 7.666 7.666 8.044 -0.378 18393
4893 1 13 . 1 1 40 40 GLY N N 54 110.510 110.510 107.287 3.223 18393
4894 1 13 . 1 1 40 40 GLY C C 54 177.680 177.680 172.535 5.145 18393
4895 1 13 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.172 0.505 18393
4896 1 13 . 1 1 40 40 GLY H H 54 7.248 7.248 7.948 -0.700 18393
4897 1 13 . 1 1 41 41 TRP N N 55 123.328 123.328 123.095 0.233 18393
4898 1 13 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.784 0.135 18393
4899 1 13 . 1 1 41 41 TRP C C 55 178.873 178.873 177.444 1.429 18393
4900 1 13 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.614 0.503 18393
4901 1 13 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.437 0.337 18393
4902 1 13 . 1 1 41 41 TRP H H 55 8.289 8.289 8.285 0.004 18393
4903 1 13 . 1 1 42 42 THR N N 56 114.627 114.627 118.677 -4.050 18393
4904 1 13 . 1 1 42 42 THR HA H 56 4.329 4.329 4.314 0.015 18393
4905 1 13 . 1 1 42 42 THR C C 56 175.261 175.261 174.479 0.782 18393
4906 1 13 . 1 1 42 42 THR CA C 56 61.698 61.698 61.620 0.078 18393
4907 1 13 . 1 1 42 42 THR CB C 56 72.359 72.359 69.836 2.523 18393
4908 1 13 . 1 1 42 42 THR H H 56 8.972 8.972 8.501 0.471 18393
4909 1 13 . 1 1 43 43 ASP N N 57 120.151 120.151 119.924 0.227 18393
4910 1 13 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.368 0.077 18393
4911 1 13 . 1 1 43 43 ASP C C 57 175.710 175.710 176.395 -0.685 18393
4912 1 13 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.268 1.109 18393
4913 1 13 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.310 -0.438 18393
4914 1 13 . 1 1 43 43 ASP H H 57 8.379 8.379 8.329 0.050 18393
4915 1 13 . 1 1 44 44 GLU N N 58 122.449 122.449 123.337 -0.888 18393
4916 1 13 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.599 -0.134 18393
4917 1 13 . 1 1 44 44 GLU C C 58 176.412 176.412 176.506 -0.094 18393
4918 1 13 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.596 -1.125 18393
4919 1 13 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.009 1.049 18393
4920 1 13 . 1 1 44 44 GLU H H 58 8.581 8.581 8.537 0.044 18393
4921 1 13 . 1 1 45 45 CYS N N 59 126.725 126.725 126.972 -0.247 18393
4922 1 13 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.514 0.181 18393
4923 1 13 . 1 1 45 45 CYS C C 59 173.364 173.364 174.090 -0.726 18393
4924 1 13 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.999 0.921 18393
4925 1 13 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.625 3.059 18393
4926 1 13 . 1 1 45 45 CYS H H 59 8.671 8.671 8.920 -0.249 18393
4927 1 13 . 1 1 46 46 ILE N N 60 126.614 126.614 126.925 -0.311 18393
4928 1 13 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.413 0.280 18393
4929 1 13 . 1 1 46 46 ILE C C 60 176.175 176.175 176.998 -0.823 18393
4930 1 13 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.731 0.045 18393
4931 1 13 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.627 -0.281 18393
4932 1 13 . 1 1 46 46 ILE H H 60 8.735 8.735 8.416 0.319 18393
4933 1 13 . 1 1 47 47 GLY N N 61 112.366 112.366 115.941 -3.575 18393
4934 1 13 . 1 1 47 47 GLY C C 61 171.844 171.844 173.046 -1.202 18393
4935 1 13 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.542 -0.259 18393
4936 1 13 . 1 1 47 47 GLY H H 61 8.610 8.610 8.581 0.029 18393
4937 1 13 . 1 1 48 48 GLU N N 62 115.030 115.030 119.609 -4.579 18393
4938 1 13 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.718 -0.173 18393
4939 1 13 . 1 1 48 48 GLU C C 62 174.927 174.927 174.819 0.108 18393
4940 1 13 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.843 0.039 18393
4941 1 13 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.664 0.685 18393
4942 1 13 . 1 1 48 48 GLU H H 62 8.214 8.214 8.326 -0.112 18393
4943 1 13 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.441 0.423 18393
4944 1 13 . 1 1 49 49 PRO C C 63 178.286 178.286 176.158 2.128 18393
4945 1 13 . 1 1 49 49 PRO CA C 63 62.260 62.260 64.060 -1.800 18393
4946 1 13 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.428 -0.161 18393
4947 1 13 . 1 1 50 50 MET N N 64 123.505 123.505 125.152 -1.647 18393
4948 1 13 . 1 1 50 50 MET HA H 64 5.530 5.530 5.117 0.413 18393
4949 1 13 . 1 1 50 50 MET C C 64 176.337 176.337 174.807 1.530 18393
4950 1 13 . 1 1 50 50 MET CA C 64 51.674 51.674 51.406 0.268 18393
4951 1 13 . 1 1 50 50 MET CB C 64 37.597 37.597 34.290 3.307 18393
4952 1 13 . 1 1 50 50 MET H H 64 9.267 9.267 8.743 0.524 18393
4953 1 13 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.675 0.411 18393
4954 1 13 . 1 1 51 51 PRO C C 65 174.862 174.862 176.228 -1.366 18393
4955 1 13 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.257 0.409 18393
4956 1 13 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.381 1.146 18393
4957 1 13 . 1 1 52 52 SER N N 66 109.598 109.598 111.340 -1.742 18393
4958 1 13 . 1 1 52 52 SER HA H 66 4.813 4.813 4.342 0.471 18393
4959 1 13 . 1 1 52 52 SER C C 66 173.368 173.368 173.668 -0.300 18393
4960 1 13 . 1 1 52 52 SER CA C 66 55.463 55.463 56.200 -0.737 18393
4961 1 13 . 1 1 52 52 SER CB C 66 66.775 66.775 66.050 0.725 18393
4962 1 13 . 1 1 52 52 SER H H 66 7.165 7.165 7.246 -0.081 18393
4963 1 13 . 1 1 53 53 VAL N N 67 124.347 124.347 124.672 -0.325 18393
4964 1 13 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.344 -0.514 18393
4965 1 13 . 1 1 53 53 VAL C C 67 177.116 177.116 176.096 1.020 18393
4966 1 13 . 1 1 53 53 VAL CA C 67 66.829 66.829 63.510 3.319 18393
4967 1 13 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.524 -0.200 18393
4968 1 13 . 1 1 53 53 VAL H H 67 8.522 8.522 8.144 0.378 18393
4969 1 13 . 1 1 54 54 LYS N N 68 118.639 118.639 118.724 -0.085 18393
4970 1 13 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.918 -0.449 18393
4971 1 13 . 1 1 54 54 LYS C C 68 178.286 178.286 178.346 -0.060 18393
4972 1 13 . 1 1 54 54 LYS CA C 68 60.350 60.350 58.464 1.886 18393
4973 1 13 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.940 0.424 18393
4974 1 13 . 1 1 54 54 LYS H H 68 8.098 8.098 7.423 0.675 18393
4975 1 13 . 1 1 55 55 LYS N N 69 115.388 115.388 119.000 -3.612 18393
4976 1 13 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.229 -0.135 18393
4977 1 13 . 1 1 55 55 LYS C C 69 179.694 179.694 178.694 1.000 18393
4978 1 13 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.959 -0.131 18393
4979 1 13 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.293 0.546 18393
4980 1 13 . 1 1 55 55 LYS H H 69 7.499 7.499 7.495 0.004 18393
4981 1 13 . 1 1 56 56 ALA N N 70 124.226 124.226 123.843 0.383 18393
4982 1 13 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.159 -0.010 18393
4983 1 13 . 1 1 56 56 ALA C C 70 181.217 181.217 179.377 1.840 18393
4984 1 13 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.344 0.372 18393
4985 1 13 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.451 2.059 18393
4986 1 13 . 1 1 56 56 ALA H H 70 8.296 8.296 8.008 0.288 18393
4987 1 13 . 1 1 57 57 LYS N N 71 120.522 120.522 118.428 2.094 18393
4988 1 13 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.108 -0.465 18393
4989 1 13 . 1 1 57 57 LYS C C 71 177.937 177.937 179.041 -1.104 18393
4990 1 13 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.261 0.826 18393
4991 1 13 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.970 0.158 18393
4992 1 13 . 1 1 57 57 LYS H H 71 8.385 8.385 7.451 0.934 18393
4993 1 13 . 1 1 58 58 ASP N N 72 119.428 119.428 119.832 -0.404 18393
4994 1 13 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.463 -0.157 18393
4995 1 13 . 1 1 58 58 ASP C C 72 177.042 177.042 178.894 -1.852 18393
4996 1 13 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.383 0.757 18393
4997 1 13 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.380 -0.255 18393
4998 1 13 . 1 1 58 58 ASP H H 72 8.029 8.029 7.724 0.305 18393
4999 1 13 . 1 1 59 59 SER N N 73 111.435 111.435 115.850 -4.415 18393
5000 1 13 . 1 1 59 59 SER HA H 73 4.243 4.243 4.120 0.123 18393
5001 1 13 . 1 1 59 59 SER C C 73 177.000 177.000 176.351 0.649 18393
5002 1 13 . 1 1 59 59 SER CA C 73 63.579 63.579 61.609 1.970 18393
5003 1 13 . 1 1 59 59 SER CB C 73 60.947 60.947 63.097 -2.151 18393
5004 1 13 . 1 1 59 59 SER H H 73 7.785 7.785 8.278 -0.493 18393
5005 1 13 . 1 1 60 60 ALA N N 74 120.363 120.363 123.350 -2.987 18393
5006 1 13 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.987 -0.024 18393
5007 1 13 . 1 1 60 60 ALA C C 74 178.170 178.170 179.411 -1.241 18393
5008 1 13 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.839 0.659 18393
5009 1 13 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.297 -0.386 18393
5010 1 13 . 1 1 60 60 ALA H H 74 7.472 7.472 7.709 -0.237 18393
5011 1 13 . 1 1 61 61 ALA N N 75 118.116 118.116 121.821 -3.705 18393
5012 1 13 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.078 -0.130 18393
5013 1 13 . 1 1 61 61 ALA C C 75 179.341 179.341 179.425 -0.084 18393
5014 1 13 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.215 0.445 18393
5015 1 13 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.422 0.520 18393
5016 1 13 . 1 1 61 61 ALA H H 75 8.653 8.653 8.584 0.069 18393
5017 1 13 . 1 1 62 62 VAL N N 76 115.858 115.858 118.030 -2.172 18393
5018 1 13 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.762 -0.106 18393
5019 1 13 . 1 1 62 62 VAL C C 76 178.051 178.051 178.041 0.010 18393
5020 1 13 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.714 -0.063 18393
5021 1 13 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.144 0.703 18393
5022 1 13 . 1 1 62 62 VAL H H 76 8.124 8.124 7.990 0.134 18393
5023 1 13 . 1 1 63 63 LEU N N 77 119.881 119.881 118.296 1.585 18393
5024 1 13 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.123 0.066 18393
5025 1 13 . 1 1 63 63 LEU C C 77 179.692 179.692 179.330 0.362 18393
5026 1 13 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.921 0.663 18393
5027 1 13 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.446 0.470 18393
5028 1 13 . 1 1 63 63 LEU H H 77 7.038 7.038 7.191 -0.153 18393
5029 1 13 . 1 1 64 64 LEU N N 78 122.083 122.083 122.093 -0.010 18393
5030 1 13 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.120 0.408 18393
5031 1 13 . 1 1 64 64 LEU C C 78 178.601 178.601 178.388 0.213 18393
5032 1 13 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.793 -0.335 18393
5033 1 13 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.955 -0.701 18393
5034 1 13 . 1 1 64 64 LEU H H 78 7.694 7.694 8.101 -0.407 18393
5035 1 13 . 1 1 65 65 LEU N N 79 120.548 120.548 118.156 2.392 18393
5036 1 13 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.020 -0.156 18393
5037 1 13 . 1 1 65 65 LEU C C 79 178.861 178.861 178.603 0.258 18393
5038 1 13 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.466 0.011 18393
5039 1 13 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.754 -0.136 18393
5040 1 13 . 1 1 65 65 LEU H H 79 8.671 8.671 8.716 -0.045 18393
5041 1 13 . 1 1 66 66 GLU N N 80 117.398 117.398 116.728 0.670 18393
5042 1 13 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.107 -0.048 18393
5043 1 13 . 1 1 66 66 GLU C C 80 178.957 178.957 177.852 1.105 18393
5044 1 13 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.373 0.963 18393
5045 1 13 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.391 -0.010 18393
5046 1 13 . 1 1 66 66 GLU H H 80 7.613 7.613 7.680 -0.067 18393
5047 1 13 . 1 1 67 67 LEU N N 81 120.633 120.633 120.620 0.013 18393
5048 1 13 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.177 -0.017 18393
5049 1 13 . 1 1 67 67 LEU C C 81 180.162 180.162 178.691 1.471 18393
5050 1 13 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.414 0.699 18393
5051 1 13 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.063 -0.006 18393
5052 1 13 . 1 1 67 67 LEU H H 81 7.656 7.656 7.404 0.252 18393
5053 1 13 . 1 1 68 68 LEU N N 82 118.949 118.949 118.367 0.582 18393
5054 1 13 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.270 -0.107 18393
5055 1 13 . 1 1 68 68 LEU C C 82 178.289 178.289 178.994 -0.705 18393
5056 1 13 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.435 1.420 18393
5057 1 13 . 1 1 68 68 LEU CB C 82 42.018 42.018 39.851 2.167 18393
5058 1 13 . 1 1 68 68 LEU H H 82 8.583 8.583 8.312 0.271 18393
5059 1 13 . 1 1 69 69 ASN N N 83 116.570 116.570 116.968 -0.398 18393
5060 1 13 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.740 -0.011 18393
5061 1 13 . 1 1 69 69 ASN C C 83 174.784 174.784 175.204 -0.420 18393
5062 1 13 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.900 -0.161 18393
5063 1 13 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.032 0.116 18393
5064 1 13 . 1 1 69 69 ASN H H 83 7.920 7.920 7.978 -0.058 18393
5065 1 13 . 1 1 70 70 LYS N N 84 120.363 120.363 119.346 1.017 18393
5066 1 13 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.545 -0.141 18393
5067 1 13 . 1 1 70 70 LYS C C 84 175.910 175.910 174.968 0.942 18393
5068 1 13 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.588 1.248 18393
5069 1 13 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.894 0.105 18393
5070 1 13 . 1 1 70 70 LYS H H 84 7.593 7.593 7.651 -0.058 18393
5071 1 14 . 1 1 2 2 ASP N N 16 119.381 119.381 121.631 -2.250 18393
5072 1 14 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.423 -0.083 18393
5073 1 14 . 1 1 2 2 ASP C C 16 178.935 178.935 177.881 1.054 18393
5074 1 14 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.518 0.190 18393
5075 1 14 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.730 -0.049 18393
5076 1 14 . 1 1 2 2 ASP H H 16 8.320 8.320 8.756 -0.436 18393
5077 1 14 . 1 1 3 3 ILE N N 17 121.475 121.475 120.011 1.464 18393
5078 1 14 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.816 -0.270 18393
5079 1 14 . 1 1 3 3 ILE C C 17 177.116 177.116 177.919 -0.803 18393
5080 1 14 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.752 0.481 18393
5081 1 14 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.634 0.067 18393
5082 1 14 . 1 1 3 3 ILE H H 17 7.793 7.793 7.847 -0.054 18393
5083 1 14 . 1 1 4 4 CYS N N 18 117.506 117.506 118.632 -1.126 18393
5084 1 14 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.480 -0.538 18393
5085 1 14 . 1 1 4 4 CYS C C 18 176.671 176.671 177.230 -0.559 18393
5086 1 14 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.744 1.880 18393
5087 1 14 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.617 -0.652 18393
5088 1 14 . 1 1 4 4 CYS H H 18 7.823 7.823 8.104 -0.281 18393
5089 1 14 . 1 1 5 5 LEU N N 19 118.832 118.832 122.090 -3.258 18393
5090 1 14 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.176 -0.080 18393
5091 1 14 . 1 1 5 5 LEU C C 19 180.698 180.698 179.405 1.293 18393
5092 1 14 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.974 -0.037 18393
5093 1 14 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.773 0.294 18393
5094 1 14 . 1 1 5 5 LEU H H 19 8.101 8.101 8.722 -0.621 18393
5095 1 14 . 1 1 6 6 ARG N N 20 119.443 119.443 119.693 -0.250 18393
5096 1 14 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.031 -0.097 18393
5097 1 14 . 1 1 6 6 ARG C C 20 178.169 178.169 177.867 0.302 18393
5098 1 14 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.059 0.816 18393
5099 1 14 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.820 0.160 18393
5100 1 14 . 1 1 6 6 ARG H H 20 7.934 7.934 8.448 -0.514 18393
5101 1 14 . 1 1 7 7 LYS N N 21 116.636 116.636 116.733 -0.097 18393
5102 1 14 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.879 -0.106 18393
5103 1 14 . 1 1 7 7 LYS C C 21 175.224 175.224 175.825 -0.601 18393
5104 1 14 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.009 0.069 18393
5105 1 14 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.586 -0.069 18393
5106 1 14 . 1 1 7 7 LYS H H 21 7.553 7.553 7.363 0.190 18393
5107 1 14 . 1 1 8 8 ASN N N 22 114.898 114.898 114.505 0.393 18393
5108 1 14 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.399 -0.097 18393
5109 1 14 . 1 1 8 8 ASN C C 22 174.073 174.073 174.486 -0.413 18393
5110 1 14 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.319 0.114 18393
5111 1 14 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.523 -0.506 18393
5112 1 14 . 1 1 8 8 ASN H H 22 7.640 7.640 7.581 0.059 18393
5113 1 14 . 1 1 9 9 TRP N N 23 120.563 120.563 120.451 0.112 18393
5114 1 14 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.124 0.117 18393
5115 1 14 . 1 1 9 9 TRP C C 23 173.601 173.601 175.187 -1.586 18393
5116 1 14 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.493 -2.673 18393
5117 1 14 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.316 1.258 18393
5118 1 14 . 1 1 9 9 TRP H H 23 8.692 8.692 7.600 1.092 18393
5119 1 14 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.504 -0.045 18393
5120 1 14 . 1 1 10 10 PRO C C 24 175.391 175.391 176.444 -1.053 18393
5121 1 14 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.420 -0.322 18393
5122 1 14 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.701 -1.119 18393
5123 1 14 . 1 1 11 11 MET N N 25 116.562 116.562 117.084 -0.522 18393
5124 1 14 . 1 1 11 11 MET HA H 25 4.751 4.751 4.732 0.019 18393
5125 1 14 . 1 1 11 11 MET C C 25 175.240 175.240 174.876 0.364 18393
5126 1 14 . 1 1 11 11 MET CA C 25 53.800 53.800 53.455 0.345 18393
5127 1 14 . 1 1 11 11 MET CB C 25 30.695 30.695 30.999 -0.304 18393
5128 1 14 . 1 1 11 11 MET H H 25 8.201 8.201 8.436 -0.235 18393
5129 1 14 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.855 -0.531 18393
5130 1 14 . 1 1 12 12 PRO C C 26 174.890 174.890 175.845 -0.955 18393
5131 1 14 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.399 1.082 18393
5132 1 14 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.839 -0.114 18393
5133 1 14 . 1 1 13 13 SER N N 27 116.608 116.608 115.433 1.175 18393
5134 1 14 . 1 1 13 13 SER HA H 27 4.781 4.781 4.738 0.043 18393
5135 1 14 . 1 1 13 13 SER C C 27 173.365 173.365 173.566 -0.201 18393
5136 1 14 . 1 1 13 13 SER CA C 27 57.219 57.219 58.425 -1.206 18393
5137 1 14 . 1 1 13 13 SER CB C 27 64.227 64.227 64.008 0.219 18393
5138 1 14 . 1 1 13 13 SER H H 27 8.555 8.555 8.492 0.063 18393
5139 1 14 . 1 1 14 14 TYR N N 28 125.256 125.256 123.366 1.890 18393
5140 1 14 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.097 0.524 18393
5141 1 14 . 1 1 14 14 TYR C C 28 176.175 176.175 174.766 1.409 18393
5142 1 14 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.675 -0.112 18393
5143 1 14 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.717 1.144 18393
5144 1 14 . 1 1 14 14 TYR H H 28 8.939 8.939 8.521 0.418 18393
5145 1 14 . 1 1 15 15 ARG N N 29 120.540 120.540 123.367 -2.827 18393
5146 1 14 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.808 -0.266 18393
5147 1 14 . 1 1 15 15 ARG C C 29 173.134 173.134 175.304 -2.170 18393
5148 1 14 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.896 -0.076 18393
5149 1 14 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.145 1.576 18393
5150 1 14 . 1 1 15 15 ARG H H 29 9.159 9.159 8.885 0.274 18393
5151 1 14 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.446 -1.549 18393
5152 1 14 . 1 1 16 16 CYS C C 30 174.180 174.180 175.426 -1.246 18393
5153 1 14 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.218 -1.499 18393
5154 1 14 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.369 -2.263 18393
5155 1 14 . 1 1 17 17 VAL N N 31 132.259 132.259 126.447 5.812 18393
5156 1 14 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.005 -0.354 18393
5157 1 14 . 1 1 17 17 VAL C C 31 175.711 175.711 175.726 -0.015 18393
5158 1 14 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.533 -0.447 18393
5159 1 14 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.082 0.430 18393
5160 1 14 . 1 1 17 17 VAL H H 31 8.659 8.659 8.827 -0.168 18393
5161 1 14 . 1 1 18 18 LYS N N 32 118.630 118.630 120.433 -1.803 18393
5162 1 14 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.605 -0.245 18393
5163 1 14 . 1 1 18 18 LYS C C 32 173.015 173.015 174.522 -1.507 18393
5164 1 14 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.255 1.147 18393
5165 1 14 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.001 1.003 18393
5166 1 14 . 1 1 18 18 LYS H H 32 7.673 7.673 8.266 -0.593 18393
5167 1 14 . 1 1 19 19 GLU N N 33 125.800 125.800 124.340 1.460 18393
5168 1 14 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.633 0.220 18393
5169 1 14 . 1 1 19 19 GLU C C 33 175.060 175.060 175.916 -0.856 18393
5170 1 14 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.390 -0.826 18393
5171 1 14 . 1 1 19 19 GLU CB C 33 32.137 32.137 30.939 1.198 18393
5172 1 14 . 1 1 19 19 GLU H H 33 8.431 8.431 8.663 -0.232 18393
5173 1 14 . 1 1 20 20 GLY N N 34 111.079 111.079 110.264 0.815 18393
5174 1 14 . 1 1 20 20 GLY C C 34 172.318 172.318 173.714 -1.396 18393
5175 1 14 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.463 0.178 18393
5176 1 14 . 1 1 20 20 GLY H H 34 8.345 8.345 8.892 -0.547 18393
5177 1 14 . 1 1 21 21 GLY N N 35 107.395 107.395 108.925 -1.530 18393
5178 1 14 . 1 1 21 21 GLY C C 35 171.757 171.757 173.969 -2.212 18393
5179 1 14 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.739 -1.002 18393
5180 1 14 . 1 1 21 21 GLY H H 35 8.184 8.184 7.984 0.200 18393
5181 1 14 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.202 0.274 18393
5182 1 14 . 1 1 22 22 PRO C C 36 177.171 177.171 176.429 0.742 18393
5183 1 14 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.941 -2.678 18393
5184 1 14 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.989 0.272 18393
5185 1 14 . 1 1 23 23 ALA N N 37 120.595 120.595 114.724 5.871 18393
5186 1 14 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.317 -0.494 18393
5187 1 14 . 1 1 23 23 ALA C C 37 178.547 178.547 178.663 -0.116 18393
5188 1 14 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.343 3.150 18393
5189 1 14 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.971 -0.420 18393
5190 1 14 . 1 1 23 23 ALA H H 37 8.580 8.580 7.586 0.994 18393
5191 1 14 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.468 0.147 18393
5192 1 14 . 1 1 24 24 HIS C C 38 174.890 174.890 174.786 0.104 18393
5193 1 14 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.300 -1.439 18393
5194 1 14 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.488 0.872 18393
5195 1 14 . 1 1 25 25 ALA N N 39 128.271 128.271 121.300 6.971 18393
5196 1 14 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.477 -0.003 18393
5197 1 14 . 1 1 25 25 ALA C C 39 174.351 174.351 177.186 -2.835 18393
5198 1 14 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.544 -0.228 18393
5199 1 14 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.358 -1.247 18393
5200 1 14 . 1 1 25 25 ALA H H 39 7.697 7.697 7.636 0.061 18393
5201 1 14 . 1 1 26 26 LYS N N 40 121.927 121.927 120.260 1.667 18393
5202 1 14 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.215 -0.097 18393
5203 1 14 . 1 1 26 26 LYS C C 40 177.551 177.551 175.214 2.337 18393
5204 1 14 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.482 1.662 18393
5205 1 14 . 1 1 26 26 LYS CB C 40 33.072 33.072 31.698 1.375 18393
5206 1 14 . 1 1 26 26 LYS H H 40 7.990 7.990 7.579 0.411 18393
5207 1 14 . 1 1 27 27 ARG N N 41 119.572 119.572 117.934 1.638 18393
5208 1 14 . 1 1 27 27 ARG HA H 41 4.638 4.638 3.946 0.692 18393
5209 1 14 . 1 1 27 27 ARG C C 41 174.770 174.770 175.514 -0.744 18393
5210 1 14 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.667 -2.189 18393
5211 1 14 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.409 2.981 18393
5212 1 14 . 1 1 27 27 ARG H H 41 8.296 8.296 7.412 0.884 18393
5213 1 14 . 1 1 28 28 PHE N N 42 120.381 120.381 123.198 -2.817 18393
5214 1 14 . 1 1 28 28 PHE HA H 42 5.047 5.047 4.963 0.084 18393
5215 1 14 . 1 1 28 28 PHE C C 42 174.407 174.407 175.763 -1.356 18393
5216 1 14 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.529 1.497 18393
5217 1 14 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.226 1.903 18393
5218 1 14 . 1 1 28 28 PHE H H 42 9.339 9.339 8.879 0.460 18393
5219 1 14 . 1 1 29 29 THR N N 43 117.999 117.999 117.240 0.759 18393
5220 1 14 . 1 1 29 29 THR HA H 43 4.704 4.704 4.783 -0.079 18393
5221 1 14 . 1 1 29 29 THR C C 43 173.713 173.713 172.844 0.869 18393
5222 1 14 . 1 1 29 29 THR CA C 43 62.117 62.117 61.874 0.243 18393
5223 1 14 . 1 1 29 29 THR CB C 43 70.104 70.104 71.316 -1.212 18393
5224 1 14 . 1 1 29 29 THR H H 43 8.949 8.949 8.704 0.245 18393
5225 1 14 . 1 1 30 30 PHE N N 44 129.592 129.592 126.290 3.302 18393
5226 1 14 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.944 0.451 18393
5227 1 14 . 1 1 30 30 PHE C C 44 173.221 173.221 172.784 0.437 18393
5228 1 14 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.086 0.337 18393
5229 1 14 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.584 1.333 18393
5230 1 14 . 1 1 30 30 PHE H H 44 10.048 10.048 8.781 1.267 18393
5231 1 14 . 1 1 31 31 GLY N N 45 105.921 105.921 109.045 -3.124 18393
5232 1 14 . 1 1 31 31 GLY C C 45 172.774 172.774 171.896 0.878 18393
5233 1 14 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.337 0.201 18393
5234 1 14 . 1 1 31 31 GLY H H 45 9.290 9.290 7.841 1.449 18393
5235 1 14 . 1 1 32 32 VAL N N 46 121.311 121.311 120.955 0.356 18393
5236 1 14 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.695 0.655 18393
5237 1 14 . 1 1 32 32 VAL C C 46 171.140 171.140 174.909 -3.769 18393
5238 1 14 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.062 -0.230 18393
5239 1 14 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.222 2.165 18393
5240 1 14 . 1 1 32 32 VAL H H 46 8.906 8.906 7.913 0.993 18393
5241 1 14 . 1 1 33 33 ARG N N 47 122.102 122.102 119.269 2.833 18393
5242 1 14 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.064 -0.493 18393
5243 1 14 . 1 1 33 33 ARG C C 47 173.683 173.683 174.347 -0.664 18393
5244 1 14 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.733 0.225 18393
5245 1 14 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.815 1.901 18393
5246 1 14 . 1 1 33 33 ARG H H 47 8.008 8.008 7.802 0.206 18393
5247 1 14 . 1 1 34 34 VAL N N 48 117.391 117.391 119.772 -2.381 18393
5248 1 14 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.473 0.314 18393
5249 1 14 . 1 1 34 34 VAL C C 48 172.777 172.777 173.924 -1.147 18393
5250 1 14 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.507 -0.537 18393
5251 1 14 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.248 0.064 18393
5252 1 14 . 1 1 34 34 VAL H H 48 8.103 8.103 9.155 -1.052 18393
5253 1 14 . 1 1 35 35 ASN N N 49 127.065 127.065 121.796 5.269 18393
5254 1 14 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.430 -0.894 18393
5255 1 14 . 1 1 35 35 ASN C C 49 174.221 174.221 174.008 0.213 18393
5256 1 14 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.660 -1.053 18393
5257 1 14 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.048 -3.306 18393
5258 1 14 . 1 1 35 35 ASN H H 49 8.543 8.543 8.607 -0.064 18393
5259 1 14 . 1 1 36 36 THR N N 50 114.402 114.402 115.501 -1.099 18393
5260 1 14 . 1 1 36 36 THR HA H 50 2.159 2.159 3.090 -0.931 18393
5261 1 14 . 1 1 36 36 THR C C 50 175.168 175.168 175.425 -0.257 18393
5262 1 14 . 1 1 36 36 THR CA C 50 61.126 61.126 61.078 0.048 18393
5263 1 14 . 1 1 36 36 THR CB C 50 69.987 69.987 68.817 1.170 18393
5264 1 14 . 1 1 36 36 THR H H 50 6.801 6.801 7.878 -1.077 18393
5265 1 14 . 1 1 37 37 SER N N 51 114.587 114.587 120.052 -5.465 18393
5266 1 14 . 1 1 37 37 SER HA H 51 4.105 4.105 3.982 0.123 18393
5267 1 14 . 1 1 37 37 SER C C 51 174.760 174.760 174.877 -0.117 18393
5268 1 14 . 1 1 37 37 SER CA C 51 59.958 59.958 60.970 -1.012 18393
5269 1 14 . 1 1 37 37 SER CB C 51 63.115 63.115 63.148 -0.033 18393
5270 1 14 . 1 1 37 37 SER H H 51 6.797 6.797 8.607 -1.810 18393
5271 1 14 . 1 1 38 38 ASP N N 52 117.329 117.329 117.849 -0.520 18393
5272 1 14 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.561 0.028 18393
5273 1 14 . 1 1 38 38 ASP C C 52 177.236 177.236 176.867 0.369 18393
5274 1 14 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.725 -0.175 18393
5275 1 14 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.856 -0.250 18393
5276 1 14 . 1 1 38 38 ASP H H 52 8.784 8.784 8.161 0.623 18393
5277 1 14 . 1 1 39 39 ARG N N 53 118.330 118.330 119.527 -1.197 18393
5278 1 14 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.587 -0.091 18393
5279 1 14 . 1 1 39 39 ARG C C 53 176.062 176.062 175.829 0.233 18393
5280 1 14 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.858 -0.808 18393
5281 1 14 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.357 -1.916 18393
5282 1 14 . 1 1 39 39 ARG H H 53 7.666 7.666 7.973 -0.307 18393
5283 1 14 . 1 1 40 40 GLY N N 54 110.510 110.510 107.151 3.359 18393
5284 1 14 . 1 1 40 40 GLY C C 54 177.680 177.680 172.369 5.311 18393
5285 1 14 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.279 0.398 18393
5286 1 14 . 1 1 40 40 GLY H H 54 7.248 7.248 7.824 -0.576 18393
5287 1 14 . 1 1 41 41 TRP N N 55 123.328 123.328 122.985 0.343 18393
5288 1 14 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.654 0.265 18393
5289 1 14 . 1 1 41 41 TRP C C 55 178.873 178.873 177.141 1.732 18393
5290 1 14 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.680 0.437 18393
5291 1 14 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.736 0.038 18393
5292 1 14 . 1 1 41 41 TRP H H 55 8.289 8.289 8.323 -0.034 18393
5293 1 14 . 1 1 42 42 THR N N 56 114.627 114.627 118.340 -3.713 18393
5294 1 14 . 1 1 42 42 THR HA H 56 4.329 4.329 4.291 0.038 18393
5295 1 14 . 1 1 42 42 THR C C 56 175.261 175.261 174.531 0.730 18393
5296 1 14 . 1 1 42 42 THR CA C 56 61.698 61.698 61.523 0.175 18393
5297 1 14 . 1 1 42 42 THR CB C 56 72.359 72.359 69.912 2.447 18393
5298 1 14 . 1 1 42 42 THR H H 56 8.972 8.972 8.506 0.466 18393
5299 1 14 . 1 1 43 43 ASP N N 57 120.151 120.151 120.938 -0.787 18393
5300 1 14 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.374 0.071 18393
5301 1 14 . 1 1 43 43 ASP C C 57 175.710 175.710 176.578 -0.868 18393
5302 1 14 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.394 0.983 18393
5303 1 14 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.115 -0.243 18393
5304 1 14 . 1 1 43 43 ASP H H 57 8.379 8.379 8.365 0.014 18393
5305 1 14 . 1 1 44 44 GLU N N 58 122.449 122.449 123.189 -0.740 18393
5306 1 14 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.369 0.096 18393
5307 1 14 . 1 1 44 44 GLU C C 58 176.412 176.412 176.567 -0.155 18393
5308 1 14 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.014 -1.544 18393
5309 1 14 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.195 0.863 18393
5310 1 14 . 1 1 44 44 GLU H H 58 8.581 8.581 8.566 0.015 18393
5311 1 14 . 1 1 45 45 CYS N N 59 126.725 126.725 127.012 -0.287 18393
5312 1 14 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.520 0.175 18393
5313 1 14 . 1 1 45 45 CYS C C 59 173.364 173.364 174.030 -0.666 18393
5314 1 14 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.579 1.341 18393
5315 1 14 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.009 3.675 18393
5316 1 14 . 1 1 45 45 CYS H H 59 8.671 8.671 8.931 -0.260 18393
5317 1 14 . 1 1 46 46 ILE N N 60 126.614 126.614 126.971 -0.357 18393
5318 1 14 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.181 0.512 18393
5319 1 14 . 1 1 46 46 ILE C C 60 176.175 176.175 176.701 -0.526 18393
5320 1 14 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.013 -0.237 18393
5321 1 14 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.072 0.274 18393
5322 1 14 . 1 1 46 46 ILE H H 60 8.735 8.735 8.030 0.705 18393
5323 1 14 . 1 1 47 47 GLY N N 61 112.366 112.366 117.232 -4.866 18393
5324 1 14 . 1 1 47 47 GLY C C 61 171.844 171.844 173.593 -1.749 18393
5325 1 14 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.333 -0.050 18393
5326 1 14 . 1 1 47 47 GLY H H 61 8.610 8.610 8.714 -0.104 18393
5327 1 14 . 1 1 48 48 GLU N N 62 115.030 115.030 120.486 -5.456 18393
5328 1 14 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.529 0.016 18393
5329 1 14 . 1 1 48 48 GLU C C 62 174.927 174.927 174.625 0.302 18393
5330 1 14 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.443 -0.561 18393
5331 1 14 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.992 0.357 18393
5332 1 14 . 1 1 48 48 GLU H H 62 8.214 8.214 7.944 0.270 18393
5333 1 14 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.539 0.325 18393
5334 1 14 . 1 1 49 49 PRO C C 63 178.286 178.286 175.948 2.338 18393
5335 1 14 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.534 -1.274 18393
5336 1 14 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.554 -0.287 18393
5337 1 14 . 1 1 50 50 MET N N 64 123.505 123.505 124.489 -0.984 18393
5338 1 14 . 1 1 50 50 MET HA H 64 5.530 5.530 4.871 0.659 18393
5339 1 14 . 1 1 50 50 MET C C 64 176.337 176.337 174.724 1.613 18393
5340 1 14 . 1 1 50 50 MET CA C 64 51.674 51.674 51.550 0.124 18393
5341 1 14 . 1 1 50 50 MET CB C 64 37.597 37.597 34.145 3.452 18393
5342 1 14 . 1 1 50 50 MET H H 64 9.267 9.267 8.895 0.372 18393
5343 1 14 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.290 0.796 18393
5344 1 14 . 1 1 51 51 PRO C C 65 174.862 174.862 176.173 -1.311 18393
5345 1 14 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.982 0.684 18393
5346 1 14 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.298 1.229 18393
5347 1 14 . 1 1 52 52 SER N N 66 109.598 109.598 111.737 -2.139 18393
5348 1 14 . 1 1 52 52 SER HA H 66 4.813 4.813 4.896 -0.083 18393
5349 1 14 . 1 1 52 52 SER C C 66 173.368 173.368 174.851 -1.483 18393
5350 1 14 . 1 1 52 52 SER CA C 66 55.463 55.463 56.513 -1.050 18393
5351 1 14 . 1 1 52 52 SER CB C 66 66.775 66.775 66.078 0.697 18393
5352 1 14 . 1 1 52 52 SER H H 66 7.165 7.165 7.334 -0.169 18393
5353 1 14 . 1 1 53 53 VAL N N 67 124.347 124.347 123.676 0.671 18393
5354 1 14 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.001 -1.171 18393
5355 1 14 . 1 1 53 53 VAL C C 67 177.116 177.116 176.664 0.452 18393
5356 1 14 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.745 2.084 18393
5357 1 14 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.694 -0.370 18393
5358 1 14 . 1 1 53 53 VAL H H 67 8.522 8.522 8.897 -0.375 18393
5359 1 14 . 1 1 54 54 LYS N N 68 118.639 118.639 120.306 -1.667 18393
5360 1 14 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.035 -0.566 18393
5361 1 14 . 1 1 54 54 LYS C C 68 178.286 178.286 178.556 -0.270 18393
5362 1 14 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.694 0.656 18393
5363 1 14 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.325 0.039 18393
5364 1 14 . 1 1 54 54 LYS H H 68 8.098 8.098 7.594 0.504 18393
5365 1 14 . 1 1 55 55 LYS N N 69 115.388 115.388 118.067 -2.679 18393
5366 1 14 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.711 -0.617 18393
5367 1 14 . 1 1 55 55 LYS C C 69 179.694 179.694 178.383 1.311 18393
5368 1 14 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.154 0.674 18393
5369 1 14 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.155 0.684 18393
5370 1 14 . 1 1 55 55 LYS H H 69 7.499 7.499 7.661 -0.162 18393
5371 1 14 . 1 1 56 56 ALA N N 70 124.226 124.226 124.605 -0.379 18393
5372 1 14 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.195 -0.046 18393
5373 1 14 . 1 1 56 56 ALA C C 70 181.217 181.217 180.093 1.124 18393
5374 1 14 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.243 0.473 18393
5375 1 14 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.429 2.081 18393
5376 1 14 . 1 1 56 56 ALA H H 70 8.296 8.296 8.159 0.137 18393
5377 1 14 . 1 1 57 57 LYS N N 71 120.522 120.522 118.763 1.759 18393
5378 1 14 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.141 -0.498 18393
5379 1 14 . 1 1 57 57 LYS C C 71 177.937 177.937 178.854 -0.917 18393
5380 1 14 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.354 0.733 18393
5381 1 14 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.923 0.205 18393
5382 1 14 . 1 1 57 57 LYS H H 71 8.385 8.385 7.604 0.781 18393
5383 1 14 . 1 1 58 58 ASP N N 72 119.428 119.428 119.320 0.108 18393
5384 1 14 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.412 -0.106 18393
5385 1 14 . 1 1 58 58 ASP C C 72 177.042 177.042 178.597 -1.555 18393
5386 1 14 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.721 0.419 18393
5387 1 14 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.530 -0.405 18393
5388 1 14 . 1 1 58 58 ASP H H 72 8.029 8.029 7.847 0.182 18393
5389 1 14 . 1 1 59 59 SER N N 73 111.435 111.435 115.734 -4.299 18393
5390 1 14 . 1 1 59 59 SER HA H 73 4.243 4.243 4.179 0.064 18393
5391 1 14 . 1 1 59 59 SER C C 73 177.000 177.000 176.641 0.359 18393
5392 1 14 . 1 1 59 59 SER CA C 73 63.579 63.579 61.758 1.821 18393
5393 1 14 . 1 1 59 59 SER CB C 73 60.947 60.947 62.662 -1.715 18393
5394 1 14 . 1 1 59 59 SER H H 73 7.785 7.785 8.347 -0.562 18393
5395 1 14 . 1 1 60 60 ALA N N 74 120.363 120.363 124.768 -4.405 18393
5396 1 14 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.003 -0.040 18393
5397 1 14 . 1 1 60 60 ALA C C 74 178.170 178.170 179.374 -1.204 18393
5398 1 14 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.872 0.626 18393
5399 1 14 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.380 -0.469 18393
5400 1 14 . 1 1 60 60 ALA H H 74 7.472 7.472 7.808 -0.336 18393
5401 1 14 . 1 1 61 61 ALA N N 75 118.116 118.116 121.773 -3.657 18393
5402 1 14 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.053 -0.105 18393
5403 1 14 . 1 1 61 61 ALA C C 75 179.341 179.341 179.641 -0.300 18393
5404 1 14 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.251 0.409 18393
5405 1 14 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.413 0.529 18393
5406 1 14 . 1 1 61 61 ALA H H 75 8.653 8.653 8.659 -0.006 18393
5407 1 14 . 1 1 62 62 VAL N N 76 115.858 115.858 118.082 -2.224 18393
5408 1 14 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.659 -0.003 18393
5409 1 14 . 1 1 62 62 VAL C C 76 178.051 178.051 177.984 0.067 18393
5410 1 14 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.619 0.032 18393
5411 1 14 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.680 0.167 18393
5412 1 14 . 1 1 62 62 VAL H H 76 8.124 8.124 8.215 -0.091 18393
5413 1 14 . 1 1 63 63 LEU N N 77 119.881 119.881 118.562 1.319 18393
5414 1 14 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.251 -0.062 18393
5415 1 14 . 1 1 63 63 LEU C C 77 179.692 179.692 179.126 0.566 18393
5416 1 14 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.947 0.638 18393
5417 1 14 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.645 0.271 18393
5418 1 14 . 1 1 63 63 LEU H H 77 7.038 7.038 7.265 -0.227 18393
5419 1 14 . 1 1 64 64 LEU N N 78 122.083 122.083 122.187 -0.104 18393
5420 1 14 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.132 0.396 18393
5421 1 14 . 1 1 64 64 LEU C C 78 178.601 178.601 178.582 0.019 18393
5422 1 14 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.826 -0.368 18393
5423 1 14 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.148 -0.894 18393
5424 1 14 . 1 1 64 64 LEU H H 78 7.694 7.694 8.148 -0.454 18393
5425 1 14 . 1 1 65 65 LEU N N 79 120.548 120.548 118.317 2.231 18393
5426 1 14 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.983 -0.119 18393
5427 1 14 . 1 1 65 65 LEU C C 79 178.861 178.861 179.169 -0.308 18393
5428 1 14 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.116 0.361 18393
5429 1 14 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.264 0.354 18393
5430 1 14 . 1 1 65 65 LEU H H 79 8.671 8.671 8.795 -0.124 18393
5431 1 14 . 1 1 66 66 GLU N N 80 117.398 117.398 117.557 -0.159 18393
5432 1 14 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.116 -0.057 18393
5433 1 14 . 1 1 66 66 GLU C C 80 178.957 178.957 177.604 1.353 18393
5434 1 14 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.736 0.600 18393
5435 1 14 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.306 0.075 18393
5436 1 14 . 1 1 66 66 GLU H H 80 7.613 7.613 7.652 -0.039 18393
5437 1 14 . 1 1 67 67 LEU N N 81 120.633 120.633 119.904 0.729 18393
5438 1 14 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.096 0.064 18393
5439 1 14 . 1 1 67 67 LEU C C 81 180.162 180.162 178.880 1.282 18393
5440 1 14 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.347 0.766 18393
5441 1 14 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.510 -0.453 18393
5442 1 14 . 1 1 67 67 LEU H H 81 7.656 7.656 7.630 0.026 18393
5443 1 14 . 1 1 68 68 LEU N N 82 118.949 118.949 116.963 1.986 18393
5444 1 14 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.171 -0.008 18393
5445 1 14 . 1 1 68 68 LEU C C 82 178.289 178.289 179.089 -0.800 18393
5446 1 14 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.087 0.768 18393
5447 1 14 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.819 1.200 18393
5448 1 14 . 1 1 68 68 LEU H H 82 8.583 8.583 7.962 0.621 18393
5449 1 14 . 1 1 69 69 ASN N N 83 116.570 116.570 115.430 1.140 18393
5450 1 14 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.667 0.062 18393
5451 1 14 . 1 1 69 69 ASN C C 83 174.784 174.784 174.671 0.113 18393
5452 1 14 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.224 0.515 18393
5453 1 14 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.105 0.043 18393
5454 1 14 . 1 1 69 69 ASN H H 83 7.920 7.920 7.535 0.385 18393
5455 1 14 . 1 1 70 70 LYS N N 84 120.363 120.363 117.667 2.696 18393
5456 1 14 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.135 0.270 18393
5457 1 14 . 1 1 70 70 LYS C C 84 175.910 175.910 174.628 1.282 18393
5458 1 14 . 1 1 70 70 LYS CA C 84 56.836 56.836 57.264 -0.428 18393
5459 1 14 . 1 1 70 70 LYS CB C 84 32.999 32.999 31.678 1.321 18393
5460 1 14 . 1 1 70 70 LYS H H 84 7.593 7.593 7.787 -0.194 18393
5461 1 15 . 1 1 2 2 ASP N N 16 119.381 119.381 121.201 -1.820 18393
5462 1 15 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.345 -0.005 18393
5463 1 15 . 1 1 2 2 ASP C C 16 178.935 178.935 177.994 0.941 18393
5464 1 15 . 1 1 2 2 ASP CA C 16 57.708 57.708 58.473 -0.765 18393
5465 1 15 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.503 0.178 18393
5466 1 15 . 1 1 2 2 ASP H H 16 8.320 8.320 8.666 -0.346 18393
5467 1 15 . 1 1 3 3 ILE N N 17 121.475 121.475 119.441 2.034 18393
5468 1 15 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.775 -0.229 18393
5469 1 15 . 1 1 3 3 ILE C C 17 177.116 177.116 177.796 -0.680 18393
5470 1 15 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.696 0.537 18393
5471 1 15 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.770 -0.069 18393
5472 1 15 . 1 1 3 3 ILE H H 17 7.793 7.793 7.966 -0.173 18393
5473 1 15 . 1 1 4 4 CYS N N 18 117.506 117.506 118.040 -0.534 18393
5474 1 15 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.371 -0.429 18393
5475 1 15 . 1 1 4 4 CYS C C 18 176.671 176.671 176.956 -0.285 18393
5476 1 15 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.610 2.014 18393
5477 1 15 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.122 -1.157 18393
5478 1 15 . 1 1 4 4 CYS H H 18 7.823 7.823 7.390 0.433 18393
5479 1 15 . 1 1 5 5 LEU N N 19 118.832 118.832 123.281 -4.449 18393
5480 1 15 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.266 -0.170 18393
5481 1 15 . 1 1 5 5 LEU C C 19 180.698 180.698 179.228 1.470 18393
5482 1 15 . 1 1 5 5 LEU CA C 19 57.937 57.937 58.033 -0.096 18393
5483 1 15 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.902 0.164 18393
5484 1 15 . 1 1 5 5 LEU H H 19 8.101 8.101 8.474 -0.373 18393
5485 1 15 . 1 1 6 6 ARG N N 20 119.443 119.443 119.488 -0.045 18393
5486 1 15 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.942 -0.008 18393
5487 1 15 . 1 1 6 6 ARG C C 20 178.169 178.169 177.787 0.382 18393
5488 1 15 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.743 0.132 18393
5489 1 15 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.076 -0.096 18393
5490 1 15 . 1 1 6 6 ARG H H 20 7.934 7.934 8.492 -0.558 18393
5491 1 15 . 1 1 7 7 LYS N N 21 116.636 116.636 116.588 0.048 18393
5492 1 15 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.874 -0.101 18393
5493 1 15 . 1 1 7 7 LYS C C 21 175.224 175.224 175.124 0.100 18393
5494 1 15 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.293 -0.215 18393
5495 1 15 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.825 -0.308 18393
5496 1 15 . 1 1 7 7 LYS H H 21 7.553 7.553 7.283 0.270 18393
5497 1 15 . 1 1 8 8 ASN N N 22 114.898 114.898 112.439 2.459 18393
5498 1 15 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.386 -0.084 18393
5499 1 15 . 1 1 8 8 ASN C C 22 174.073 174.073 174.566 -0.493 18393
5500 1 15 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.581 -0.148 18393
5501 1 15 . 1 1 8 8 ASN CB C 22 37.017 37.017 36.751 0.266 18393
5502 1 15 . 1 1 8 8 ASN H H 22 7.640 7.640 7.612 0.028 18393
5503 1 15 . 1 1 9 9 TRP N N 23 120.563 120.563 120.067 0.496 18393
5504 1 15 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.178 0.063 18393
5505 1 15 . 1 1 9 9 TRP C C 23 173.601 173.601 174.621 -1.020 18393
5506 1 15 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.181 -2.361 18393
5507 1 15 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.893 0.681 18393
5508 1 15 . 1 1 9 9 TRP H H 23 8.692 8.692 7.954 0.738 18393
5509 1 15 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.590 -0.131 18393
5510 1 15 . 1 1 10 10 PRO C C 24 175.391 175.391 176.826 -1.435 18393
5511 1 15 . 1 1 10 10 PRO CA C 24 62.098 62.098 61.992 0.106 18393
5512 1 15 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.665 -1.083 18393
5513 1 15 . 1 1 11 11 MET N N 25 116.562 116.562 118.294 -1.732 18393
5514 1 15 . 1 1 11 11 MET HA H 25 4.751 4.751 4.598 0.153 18393
5515 1 15 . 1 1 11 11 MET C C 25 175.240 175.240 175.111 0.129 18393
5516 1 15 . 1 1 11 11 MET CA C 25 53.800 53.800 53.500 0.300 18393
5517 1 15 . 1 1 11 11 MET CB C 25 30.695 30.695 30.411 0.284 18393
5518 1 15 . 1 1 11 11 MET H H 25 8.201 8.201 8.556 -0.355 18393
5519 1 15 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.496 -0.172 18393
5520 1 15 . 1 1 12 12 PRO C C 26 174.890 174.890 176.245 -1.355 18393
5521 1 15 . 1 1 12 12 PRO CA C 26 63.481 63.481 63.100 0.381 18393
5522 1 15 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.456 0.268 18393
5523 1 15 . 1 1 13 13 SER N N 27 116.608 116.608 115.332 1.276 18393
5524 1 15 . 1 1 13 13 SER HA H 27 4.781 4.781 4.708 0.073 18393
5525 1 15 . 1 1 13 13 SER C C 27 173.365 173.365 173.394 -0.029 18393
5526 1 15 . 1 1 13 13 SER CA C 27 57.219 57.219 57.919 -0.700 18393
5527 1 15 . 1 1 13 13 SER CB C 27 64.227 64.227 64.204 0.023 18393
5528 1 15 . 1 1 13 13 SER H H 27 8.555 8.555 8.366 0.189 18393
5529 1 15 . 1 1 14 14 TYR N N 28 125.256 125.256 123.624 1.632 18393
5530 1 15 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.030 0.591 18393
5531 1 15 . 1 1 14 14 TYR C C 28 176.175 176.175 174.736 1.439 18393
5532 1 15 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.728 -0.165 18393
5533 1 15 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.562 1.299 18393
5534 1 15 . 1 1 14 14 TYR H H 28 8.939 8.939 8.581 0.358 18393
5535 1 15 . 1 1 15 15 ARG N N 29 120.540 120.540 125.013 -4.473 18393
5536 1 15 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.770 -0.228 18393
5537 1 15 . 1 1 15 15 ARG C C 29 173.134 173.134 175.088 -1.954 18393
5538 1 15 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.298 0.521 18393
5539 1 15 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.559 1.162 18393
5540 1 15 . 1 1 15 15 ARG H H 29 9.159 9.159 9.182 -0.023 18393
5541 1 15 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.710 -1.813 18393
5542 1 15 . 1 1 16 16 CYS C C 30 174.180 174.180 175.565 -1.385 18393
5543 1 15 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.466 -0.747 18393
5544 1 15 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.317 -2.211 18393
5545 1 15 . 1 1 17 17 VAL N N 31 132.259 132.259 121.711 10.548 18393
5546 1 15 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.157 -0.506 18393
5547 1 15 . 1 1 17 17 VAL C C 31 175.711 175.711 175.756 -0.045 18393
5548 1 15 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.514 0.572 18393
5549 1 15 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.108 0.404 18393
5550 1 15 . 1 1 17 17 VAL H H 31 8.659 8.659 8.491 0.168 18393
5551 1 15 . 1 1 18 18 LYS N N 32 118.630 118.630 122.161 -3.531 18393
5552 1 15 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.612 -0.252 18393
5553 1 15 . 1 1 18 18 LYS C C 32 173.015 173.015 174.483 -1.468 18393
5554 1 15 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.874 0.528 18393
5555 1 15 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.293 1.711 18393
5556 1 15 . 1 1 18 18 LYS H H 32 7.673 7.673 8.250 -0.577 18393
5557 1 15 . 1 1 19 19 GLU N N 33 125.800 125.800 123.662 2.138 18393
5558 1 15 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.418 0.435 18393
5559 1 15 . 1 1 19 19 GLU C C 33 175.060 175.060 175.045 0.015 18393
5560 1 15 . 1 1 19 19 GLU CA C 33 54.564 54.564 54.955 -0.391 18393
5561 1 15 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.575 -0.438 18393
5562 1 15 . 1 1 19 19 GLU H H 33 8.431 8.431 8.420 0.011 18393
5563 1 15 . 1 1 20 20 GLY N N 34 111.079 111.079 107.523 3.556 18393
5564 1 15 . 1 1 20 20 GLY C C 34 172.318 172.318 172.641 -0.323 18393
5565 1 15 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.573 0.068 18393
5566 1 15 . 1 1 20 20 GLY H H 34 8.345 8.345 8.252 0.093 18393
5567 1 15 . 1 1 21 21 GLY N N 35 107.395 107.395 108.440 -1.045 18393
5568 1 15 . 1 1 21 21 GLY C C 35 171.757 171.757 172.441 -0.684 18393
5569 1 15 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.569 -0.832 18393
5570 1 15 . 1 1 21 21 GLY H H 35 8.184 8.184 7.663 0.521 18393
5571 1 15 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.162 0.314 18393
5572 1 15 . 1 1 22 22 PRO C C 36 177.171 177.171 176.178 0.993 18393
5573 1 15 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.497 -2.234 18393
5574 1 15 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.256 0.005 18393
5575 1 15 . 1 1 23 23 ALA N N 37 120.595 120.595 115.504 5.091 18393
5576 1 15 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.286 -0.463 18393
5577 1 15 . 1 1 23 23 ALA C C 37 178.547 178.547 178.976 -0.429 18393
5578 1 15 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.247 3.246 18393
5579 1 15 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.972 -0.421 18393
5580 1 15 . 1 1 23 23 ALA H H 37 8.580 8.580 7.645 0.935 18393
5581 1 15 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.510 0.105 18393
5582 1 15 . 1 1 24 24 HIS C C 38 174.890 174.890 174.808 0.082 18393
5583 1 15 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.584 -1.723 18393
5584 1 15 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.721 0.639 18393
5585 1 15 . 1 1 25 25 ALA N N 39 128.271 128.271 120.479 7.792 18393
5586 1 15 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.367 0.107 18393
5587 1 15 . 1 1 25 25 ALA C C 39 174.351 174.351 177.707 -3.356 18393
5588 1 15 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.368 -0.052 18393
5589 1 15 . 1 1 25 25 ALA CB C 39 18.111 18.111 18.485 -0.374 18393
5590 1 15 . 1 1 25 25 ALA H H 39 7.697 7.697 7.659 0.038 18393
5591 1 15 . 1 1 26 26 LYS N N 40 121.927 121.927 120.441 1.486 18393
5592 1 15 . 1 1 26 26 LYS HA H 40 4.118 4.118 3.971 0.147 18393
5593 1 15 . 1 1 26 26 LYS C C 40 177.551 177.551 175.424 2.127 18393
5594 1 15 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.022 1.123 18393
5595 1 15 . 1 1 26 26 LYS CB C 40 33.072 33.072 31.585 1.487 18393
5596 1 15 . 1 1 26 26 LYS H H 40 7.990 7.990 7.303 0.687 18393
5597 1 15 . 1 1 27 27 ARG N N 41 119.572 119.572 116.605 2.967 18393
5598 1 15 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.621 0.017 18393
5599 1 15 . 1 1 27 27 ARG C C 41 174.770 174.770 175.284 -0.514 18393
5600 1 15 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.299 -1.821 18393
5601 1 15 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.973 2.417 18393
5602 1 15 . 1 1 27 27 ARG H H 41 8.296 8.296 7.209 1.087 18393
5603 1 15 . 1 1 28 28 PHE N N 42 120.381 120.381 122.241 -1.860 18393
5604 1 15 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.291 -0.244 18393
5605 1 15 . 1 1 28 28 PHE C C 42 174.407 174.407 175.832 -1.425 18393
5606 1 15 . 1 1 28 28 PHE CA C 42 57.026 57.026 56.486 0.540 18393
5607 1 15 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.437 1.692 18393
5608 1 15 . 1 1 28 28 PHE H H 42 9.339 9.339 9.278 0.061 18393
5609 1 15 . 1 1 29 29 THR N N 43 117.999 117.999 119.756 -1.757 18393
5610 1 15 . 1 1 29 29 THR HA H 43 4.704 4.704 4.812 -0.108 18393
5611 1 15 . 1 1 29 29 THR C C 43 173.713 173.713 172.702 1.011 18393
5612 1 15 . 1 1 29 29 THR CA C 43 62.117 62.117 61.553 0.564 18393
5613 1 15 . 1 1 29 29 THR CB C 43 70.104 70.104 70.438 -0.334 18393
5614 1 15 . 1 1 29 29 THR H H 43 8.949 8.949 9.171 -0.222 18393
5615 1 15 . 1 1 30 30 PHE N N 44 129.592 129.592 126.932 2.660 18393
5616 1 15 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.987 0.408 18393
5617 1 15 . 1 1 30 30 PHE C C 44 173.221 173.221 172.758 0.463 18393
5618 1 15 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.143 0.280 18393
5619 1 15 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.427 1.490 18393
5620 1 15 . 1 1 30 30 PHE H H 44 10.048 10.048 8.821 1.227 18393
5621 1 15 . 1 1 31 31 GLY N N 45 105.921 105.921 109.621 -3.700 18393
5622 1 15 . 1 1 31 31 GLY C C 45 172.774 172.774 171.688 1.086 18393
5623 1 15 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.357 0.181 18393
5624 1 15 . 1 1 31 31 GLY H H 45 9.290 9.290 7.909 1.381 18393
5625 1 15 . 1 1 32 32 VAL N N 46 121.311 121.311 121.804 -0.493 18393
5626 1 15 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.679 0.671 18393
5627 1 15 . 1 1 32 32 VAL C C 46 171.140 171.140 174.870 -3.730 18393
5628 1 15 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.752 -0.920 18393
5629 1 15 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.299 2.088 18393
5630 1 15 . 1 1 32 32 VAL H H 46 8.906 8.906 7.950 0.956 18393
5631 1 15 . 1 1 33 33 ARG N N 47 122.102 122.102 120.333 1.769 18393
5632 1 15 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.213 -0.642 18393
5633 1 15 . 1 1 33 33 ARG C C 47 173.683 173.683 174.443 -0.760 18393
5634 1 15 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.533 0.425 18393
5635 1 15 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.801 1.915 18393
5636 1 15 . 1 1 33 33 ARG H H 47 8.008 8.008 7.815 0.193 18393
5637 1 15 . 1 1 34 34 VAL N N 48 117.391 117.391 120.573 -3.182 18393
5638 1 15 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.533 0.254 18393
5639 1 15 . 1 1 34 34 VAL C C 48 172.777 172.777 173.438 -0.661 18393
5640 1 15 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.444 -0.474 18393
5641 1 15 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.133 0.180 18393
5642 1 15 . 1 1 34 34 VAL H H 48 8.103 8.103 9.026 -0.923 18393
5643 1 15 . 1 1 35 35 ASN N N 49 127.065 127.065 122.107 4.958 18393
5644 1 15 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.287 -0.751 18393
5645 1 15 . 1 1 35 35 ASN C C 49 174.221 174.221 174.306 -0.085 18393
5646 1 15 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.145 -0.538 18393
5647 1 15 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.403 -2.661 18393
5648 1 15 . 1 1 35 35 ASN H H 49 8.543 8.543 8.627 -0.084 18393
5649 1 15 . 1 1 36 36 THR N N 50 114.402 114.402 115.095 -0.693 18393
5650 1 15 . 1 1 36 36 THR HA H 50 2.159 2.159 2.996 -0.837 18393
5651 1 15 . 1 1 36 36 THR C C 50 175.168 175.168 175.791 -0.623 18393
5652 1 15 . 1 1 36 36 THR CA C 50 61.126 61.126 61.714 -0.588 18393
5653 1 15 . 1 1 36 36 THR CB C 50 69.987 69.987 68.915 1.072 18393
5654 1 15 . 1 1 36 36 THR H H 50 6.801 6.801 7.659 -0.858 18393
5655 1 15 . 1 1 37 37 SER N N 51 114.587 114.587 120.723 -6.136 18393
5656 1 15 . 1 1 37 37 SER HA H 51 4.105 4.105 4.079 0.026 18393
5657 1 15 . 1 1 37 37 SER C C 51 174.760 174.760 174.891 -0.131 18393
5658 1 15 . 1 1 37 37 SER CA C 51 59.958 59.958 61.177 -1.219 18393
5659 1 15 . 1 1 37 37 SER CB C 51 63.115 63.115 63.074 0.042 18393
5660 1 15 . 1 1 37 37 SER H H 51 6.797 6.797 8.650 -1.853 18393
5661 1 15 . 1 1 38 38 ASP N N 52 117.329 117.329 118.831 -1.502 18393
5662 1 15 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.589 -0.000 18393
5663 1 15 . 1 1 38 38 ASP C C 52 177.236 177.236 176.437 0.799 18393
5664 1 15 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.344 0.206 18393
5665 1 15 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.759 -0.153 18393
5666 1 15 . 1 1 38 38 ASP H H 52 8.784 8.784 7.993 0.791 18393
5667 1 15 . 1 1 39 39 ARG N N 53 118.330 118.330 120.416 -2.086 18393
5668 1 15 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.389 0.107 18393
5669 1 15 . 1 1 39 39 ARG C C 53 176.062 176.062 176.203 -0.141 18393
5670 1 15 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.031 -0.981 18393
5671 1 15 . 1 1 39 39 ARG CB C 53 31.441 31.441 32.994 -1.553 18393
5672 1 15 . 1 1 39 39 ARG H H 53 7.666 7.666 7.824 -0.158 18393
5673 1 15 . 1 1 40 40 GLY N N 54 110.510 110.510 107.279 3.231 18393
5674 1 15 . 1 1 40 40 GLY C C 54 177.680 177.680 172.649 5.031 18393
5675 1 15 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.155 0.522 18393
5676 1 15 . 1 1 40 40 GLY H H 54 7.248 7.248 7.795 -0.547 18393
5677 1 15 . 1 1 41 41 TRP N N 55 123.328 123.328 123.528 -0.200 18393
5678 1 15 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.791 0.128 18393
5679 1 15 . 1 1 41 41 TRP C C 55 178.873 178.873 177.438 1.435 18393
5680 1 15 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.198 0.919 18393
5681 1 15 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.388 0.386 18393
5682 1 15 . 1 1 41 41 TRP H H 55 8.289 8.289 8.242 0.047 18393
5683 1 15 . 1 1 42 42 THR N N 56 114.627 114.627 118.900 -4.273 18393
5684 1 15 . 1 1 42 42 THR HA H 56 4.329 4.329 4.271 0.058 18393
5685 1 15 . 1 1 42 42 THR C C 56 175.261 175.261 174.813 0.448 18393
5686 1 15 . 1 1 42 42 THR CA C 56 61.698 61.698 61.676 0.022 18393
5687 1 15 . 1 1 42 42 THR CB C 56 72.359 72.359 69.567 2.792 18393
5688 1 15 . 1 1 42 42 THR H H 56 8.972 8.972 8.578 0.394 18393
5689 1 15 . 1 1 43 43 ASP N N 57 120.151 120.151 121.604 -1.453 18393
5690 1 15 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.468 -0.023 18393
5691 1 15 . 1 1 43 43 ASP C C 57 175.710 175.710 176.481 -0.771 18393
5692 1 15 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.111 0.266 18393
5693 1 15 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.330 -0.458 18393
5694 1 15 . 1 1 43 43 ASP H H 57 8.379 8.379 8.384 -0.005 18393
5695 1 15 . 1 1 44 44 GLU N N 58 122.449 122.449 123.777 -1.328 18393
5696 1 15 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.407 0.058 18393
5697 1 15 . 1 1 44 44 GLU C C 58 176.412 176.412 176.505 -0.093 18393
5698 1 15 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.010 -1.539 18393
5699 1 15 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.837 1.222 18393
5700 1 15 . 1 1 44 44 GLU H H 58 8.581 8.581 8.616 -0.035 18393
5701 1 15 . 1 1 45 45 CYS N N 59 126.725 126.725 127.934 -1.209 18393
5702 1 15 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.507 0.188 18393
5703 1 15 . 1 1 45 45 CYS C C 59 173.364 173.364 174.103 -0.739 18393
5704 1 15 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.662 1.258 18393
5705 1 15 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.121 3.563 18393
5706 1 15 . 1 1 45 45 CYS H H 59 8.671 8.671 8.739 -0.068 18393
5707 1 15 . 1 1 46 46 ILE N N 60 126.614 126.614 126.477 0.137 18393
5708 1 15 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.457 0.236 18393
5709 1 15 . 1 1 46 46 ILE C C 60 176.175 176.175 176.777 -0.602 18393
5710 1 15 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.205 0.571 18393
5711 1 15 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.441 0.905 18393
5712 1 15 . 1 1 46 46 ILE H H 60 8.735 8.735 7.913 0.822 18393
5713 1 15 . 1 1 47 47 GLY N N 61 112.366 112.366 116.321 -3.955 18393
5714 1 15 . 1 1 47 47 GLY C C 61 171.844 171.844 173.680 -1.836 18393
5715 1 15 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.197 0.086 18393
5716 1 15 . 1 1 47 47 GLY H H 61 8.610 8.610 8.739 -0.129 18393
5717 1 15 . 1 1 48 48 GLU N N 62 115.030 115.030 120.048 -5.018 18393
5718 1 15 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.650 -0.105 18393
5719 1 15 . 1 1 48 48 GLU C C 62 174.927 174.927 174.626 0.301 18393
5720 1 15 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.034 -0.152 18393
5721 1 15 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.019 0.330 18393
5722 1 15 . 1 1 48 48 GLU H H 62 8.214 8.214 8.051 0.163 18393
5723 1 15 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.576 0.288 18393
5724 1 15 . 1 1 49 49 PRO C C 63 178.286 178.286 176.275 2.011 18393
5725 1 15 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.799 -1.539 18393
5726 1 15 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.752 -0.485 18393
5727 1 15 . 1 1 50 50 MET N N 64 123.505 123.505 125.401 -1.896 18393
5728 1 15 . 1 1 50 50 MET HA H 64 5.530 5.530 5.005 0.525 18393
5729 1 15 . 1 1 50 50 MET C C 64 176.337 176.337 175.211 1.126 18393
5730 1 15 . 1 1 50 50 MET CA C 64 51.674 51.674 51.494 0.180 18393
5731 1 15 . 1 1 50 50 MET CB C 64 37.597 37.597 34.039 3.558 18393
5732 1 15 . 1 1 50 50 MET H H 64 9.267 9.267 8.787 0.480 18393
5733 1 15 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.603 0.483 18393
5734 1 15 . 1 1 51 51 PRO C C 65 174.862 174.862 175.835 -0.973 18393
5735 1 15 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.311 0.355 18393
5736 1 15 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.645 0.882 18393
5737 1 15 . 1 1 52 52 SER N N 66 109.598 109.598 112.664 -3.066 18393
5738 1 15 . 1 1 52 52 SER HA H 66 4.813 4.813 4.784 0.029 18393
5739 1 15 . 1 1 52 52 SER C C 66 173.368 173.368 174.170 -0.802 18393
5740 1 15 . 1 1 52 52 SER CA C 66 55.463 55.463 56.852 -1.389 18393
5741 1 15 . 1 1 52 52 SER CB C 66 66.775 66.775 66.831 -0.056 18393
5742 1 15 . 1 1 52 52 SER H H 66 7.165 7.165 7.624 -0.459 18393
5743 1 15 . 1 1 53 53 VAL N N 67 124.347 124.347 124.817 -0.470 18393
5744 1 15 . 1 1 53 53 VAL HA H 67 2.830 2.830 2.945 -0.115 18393
5745 1 15 . 1 1 53 53 VAL C C 67 177.116 177.116 177.290 -0.174 18393
5746 1 15 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.073 1.756 18393
5747 1 15 . 1 1 53 53 VAL CB C 67 31.324 31.324 30.857 0.467 18393
5748 1 15 . 1 1 53 53 VAL H H 67 8.522 8.522 8.381 0.141 18393
5749 1 15 . 1 1 54 54 LYS N N 68 118.639 118.639 119.566 -0.927 18393
5750 1 15 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.023 -0.554 18393
5751 1 15 . 1 1 54 54 LYS C C 68 178.286 178.286 178.389 -0.103 18393
5752 1 15 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.440 0.910 18393
5753 1 15 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.930 0.434 18393
5754 1 15 . 1 1 54 54 LYS H H 68 8.098 8.098 8.342 -0.244 18393
5755 1 15 . 1 1 55 55 LYS N N 69 115.388 115.388 117.455 -2.067 18393
5756 1 15 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.304 -0.210 18393
5757 1 15 . 1 1 55 55 LYS C C 69 179.694 179.694 178.179 1.515 18393
5758 1 15 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.301 0.527 18393
5759 1 15 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.143 0.696 18393
5760 1 15 . 1 1 55 55 LYS H H 69 7.499 7.499 8.060 -0.561 18393
5761 1 15 . 1 1 56 56 ALA N N 70 124.226 124.226 124.587 -0.361 18393
5762 1 15 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.127 0.022 18393
5763 1 15 . 1 1 56 56 ALA C C 70 181.217 181.217 179.173 2.044 18393
5764 1 15 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.356 0.360 18393
5765 1 15 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.584 1.926 18393
5766 1 15 . 1 1 56 56 ALA H H 70 8.296 8.296 7.991 0.305 18393
5767 1 15 . 1 1 57 57 LYS N N 71 120.522 120.522 117.964 2.558 18393
5768 1 15 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.065 -0.422 18393
5769 1 15 . 1 1 57 57 LYS C C 71 177.937 177.937 178.466 -0.529 18393
5770 1 15 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.653 1.434 18393
5771 1 15 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.599 0.529 18393
5772 1 15 . 1 1 57 57 LYS H H 71 8.385 8.385 7.446 0.939 18393
5773 1 15 . 1 1 58 58 ASP N N 72 119.428 119.428 120.771 -1.343 18393
5774 1 15 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.397 -0.091 18393
5775 1 15 . 1 1 58 58 ASP C C 72 177.042 177.042 178.740 -1.698 18393
5776 1 15 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.474 0.666 18393
5777 1 15 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.348 -0.223 18393
5778 1 15 . 1 1 58 58 ASP H H 72 8.029 8.029 7.783 0.246 18393
5779 1 15 . 1 1 59 59 SER N N 73 111.435 111.435 115.802 -4.367 18393
5780 1 15 . 1 1 59 59 SER HA H 73 4.243 4.243 4.125 0.118 18393
5781 1 15 . 1 1 59 59 SER C C 73 177.000 177.000 176.301 0.699 18393
5782 1 15 . 1 1 59 59 SER CA C 73 63.579 63.579 61.353 2.226 18393
5783 1 15 . 1 1 59 59 SER CB C 73 60.947 60.947 63.015 -2.068 18393
5784 1 15 . 1 1 59 59 SER H H 73 7.785 7.785 8.086 -0.301 18393
5785 1 15 . 1 1 60 60 ALA N N 74 120.363 120.363 123.483 -3.120 18393
5786 1 15 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.013 -0.050 18393
5787 1 15 . 1 1 60 60 ALA C C 74 178.170 178.170 179.425 -1.255 18393
5788 1 15 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.011 0.487 18393
5789 1 15 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.414 -0.503 18393
5790 1 15 . 1 1 60 60 ALA H H 74 7.472 7.472 7.715 -0.243 18393
5791 1 15 . 1 1 61 61 ALA N N 75 118.116 118.116 121.592 -3.476 18393
5792 1 15 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.076 -0.128 18393
5793 1 15 . 1 1 61 61 ALA C C 75 179.341 179.341 179.535 -0.194 18393
5794 1 15 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.284 0.376 18393
5795 1 15 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.662 0.280 18393
5796 1 15 . 1 1 61 61 ALA H H 75 8.653 8.653 8.517 0.136 18393
5797 1 15 . 1 1 62 62 VAL N N 76 115.858 115.858 118.027 -2.169 18393
5798 1 15 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.736 -0.080 18393
5799 1 15 . 1 1 62 62 VAL C C 76 178.051 178.051 177.847 0.204 18393
5800 1 15 . 1 1 62 62 VAL CA C 76 66.651 66.651 67.241 -0.590 18393
5801 1 15 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.672 0.175 18393
5802 1 15 . 1 1 62 62 VAL H H 76 8.124 8.124 7.879 0.245 18393
5803 1 15 . 1 1 63 63 LEU N N 77 119.881 119.881 118.945 0.936 18393
5804 1 15 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.058 0.131 18393
5805 1 15 . 1 1 63 63 LEU C C 77 179.692 179.692 178.908 0.784 18393
5806 1 15 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.272 0.312 18393
5807 1 15 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.640 0.276 18393
5808 1 15 . 1 1 63 63 LEU H H 77 7.038 7.038 7.418 -0.380 18393
5809 1 15 . 1 1 64 64 LEU N N 78 122.083 122.083 121.850 0.233 18393
5810 1 15 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.131 0.397 18393
5811 1 15 . 1 1 64 64 LEU C C 78 178.601 178.601 178.575 0.026 18393
5812 1 15 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.836 -0.378 18393
5813 1 15 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.906 -0.652 18393
5814 1 15 . 1 1 64 64 LEU H H 78 7.694 7.694 8.114 -0.420 18393
5815 1 15 . 1 1 65 65 LEU N N 79 120.548 120.548 118.777 1.771 18393
5816 1 15 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.017 -0.153 18393
5817 1 15 . 1 1 65 65 LEU C C 79 178.861 178.861 179.127 -0.266 18393
5818 1 15 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.194 0.283 18393
5819 1 15 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.246 0.372 18393
5820 1 15 . 1 1 65 65 LEU H H 79 8.671 8.671 8.525 0.146 18393
5821 1 15 . 1 1 66 66 GLU N N 80 117.398 117.398 117.695 -0.297 18393
5822 1 15 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.078 -0.019 18393
5823 1 15 . 1 1 66 66 GLU C C 80 178.957 178.957 178.033 0.924 18393
5824 1 15 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.788 0.548 18393
5825 1 15 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.493 -0.112 18393
5826 1 15 . 1 1 66 66 GLU H H 80 7.613 7.613 7.537 0.076 18393
5827 1 15 . 1 1 67 67 LEU N N 81 120.633 120.633 119.798 0.835 18393
5828 1 15 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.186 -0.026 18393
5829 1 15 . 1 1 67 67 LEU C C 81 180.162 180.162 179.123 1.039 18393
5830 1 15 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.049 1.064 18393
5831 1 15 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.085 -0.028 18393
5832 1 15 . 1 1 67 67 LEU H H 81 7.656 7.656 7.231 0.425 18393
5833 1 15 . 1 1 68 68 LEU N N 82 118.949 118.949 117.607 1.342 18393
5834 1 15 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.204 -0.041 18393
5835 1 15 . 1 1 68 68 LEU C C 82 178.289 178.289 178.435 -0.146 18393
5836 1 15 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.243 0.612 18393
5837 1 15 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.068 0.950 18393
5838 1 15 . 1 1 68 68 LEU H H 82 8.583 8.583 8.539 0.044 18393
5839 1 15 . 1 1 69 69 ASN N N 83 116.570 116.570 115.974 0.596 18393
5840 1 15 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.688 0.041 18393
5841 1 15 . 1 1 69 69 ASN C C 83 174.784 174.784 175.505 -0.721 18393
5842 1 15 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.949 -0.210 18393
5843 1 15 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.895 0.253 18393
5844 1 15 . 1 1 69 69 ASN H H 83 7.920 7.920 7.769 0.151 18393
5845 1 15 . 1 1 70 70 LYS N N 84 120.363 120.363 119.943 0.420 18393
5846 1 15 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.491 -0.087 18393
5847 1 15 . 1 1 70 70 LYS C C 84 175.910 175.910 174.978 0.932 18393
5848 1 15 . 1 1 70 70 LYS CA C 84 56.836 56.836 56.071 0.765 18393
5849 1 15 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.556 0.443 18393
5850 1 15 . 1 1 70 70 LYS H H 84 7.593 7.593 7.716 -0.123 18393
5851 1 16 . 1 1 2 2 ASP N N 16 119.381 119.381 121.218 -1.837 18393
5852 1 16 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.368 -0.028 18393
5853 1 16 . 1 1 2 2 ASP C C 16 178.935 178.935 177.974 0.961 18393
5854 1 16 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.530 0.178 18393
5855 1 16 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.894 -0.213 18393
5856 1 16 . 1 1 2 2 ASP H H 16 8.320 8.320 8.546 -0.226 18393
5857 1 16 . 1 1 3 3 ILE N N 17 121.475 121.475 120.095 1.380 18393
5858 1 16 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.822 -0.276 18393
5859 1 16 . 1 1 3 3 ILE C C 17 177.116 177.116 178.071 -0.955 18393
5860 1 16 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.083 1.150 18393
5861 1 16 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.544 0.157 18393
5862 1 16 . 1 1 3 3 ILE H H 17 7.793 7.793 8.189 -0.396 18393
5863 1 16 . 1 1 4 4 CYS N N 18 117.506 117.506 118.514 -1.008 18393
5864 1 16 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.235 -0.293 18393
5865 1 16 . 1 1 4 4 CYS C C 18 176.671 176.671 176.900 -0.229 18393
5866 1 16 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.260 2.364 18393
5867 1 16 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.732 -0.767 18393
5868 1 16 . 1 1 4 4 CYS H H 18 7.823 7.823 7.470 0.353 18393
5869 1 16 . 1 1 5 5 LEU N N 19 118.832 118.832 123.221 -4.389 18393
5870 1 16 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.121 -0.025 18393
5871 1 16 . 1 1 5 5 LEU C C 19 180.698 180.698 179.275 1.423 18393
5872 1 16 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.896 0.041 18393
5873 1 16 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.833 0.233 18393
5874 1 16 . 1 1 5 5 LEU H H 19 8.101 8.101 8.303 -0.202 18393
5875 1 16 . 1 1 6 6 ARG N N 20 119.443 119.443 119.630 -0.187 18393
5876 1 16 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.934 -0.000 18393
5877 1 16 . 1 1 6 6 ARG C C 20 178.169 178.169 177.801 0.368 18393
5878 1 16 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.748 0.127 18393
5879 1 16 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.038 -0.058 18393
5880 1 16 . 1 1 6 6 ARG H H 20 7.934 7.934 8.478 -0.544 18393
5881 1 16 . 1 1 7 7 LYS N N 21 116.636 116.636 116.365 0.271 18393
5882 1 16 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.881 -0.108 18393
5883 1 16 . 1 1 7 7 LYS C C 21 175.224 175.224 175.445 -0.221 18393
5884 1 16 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.388 -0.310 18393
5885 1 16 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.988 -0.471 18393
5886 1 16 . 1 1 7 7 LYS H H 21 7.553 7.553 7.344 0.209 18393
5887 1 16 . 1 1 8 8 ASN N N 22 114.898 114.898 112.731 2.167 18393
5888 1 16 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.424 -0.122 18393
5889 1 16 . 1 1 8 8 ASN C C 22 174.073 174.073 174.716 -0.643 18393
5890 1 16 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.624 -0.191 18393
5891 1 16 . 1 1 8 8 ASN CB C 22 37.017 37.017 36.864 0.153 18393
5892 1 16 . 1 1 8 8 ASN H H 22 7.640 7.640 7.746 -0.106 18393
5893 1 16 . 1 1 9 9 TRP N N 23 120.563 120.563 120.189 0.374 18393
5894 1 16 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.154 0.087 18393
5895 1 16 . 1 1 9 9 TRP C C 23 173.601 173.601 174.854 -1.253 18393
5896 1 16 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.329 -2.509 18393
5897 1 16 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.708 0.866 18393
5898 1 16 . 1 1 9 9 TRP H H 23 8.692 8.692 7.759 0.933 18393
5899 1 16 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.502 -0.043 18393
5900 1 16 . 1 1 10 10 PRO C C 24 175.391 175.391 176.641 -1.250 18393
5901 1 16 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.298 -0.200 18393
5902 1 16 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.529 -0.946 18393
5903 1 16 . 1 1 11 11 MET N N 25 116.562 116.562 118.669 -2.107 18393
5904 1 16 . 1 1 11 11 MET HA H 25 4.751 4.751 4.568 0.183 18393
5905 1 16 . 1 1 11 11 MET C C 25 175.240 175.240 175.436 -0.196 18393
5906 1 16 . 1 1 11 11 MET CA C 25 53.800 53.800 53.483 0.317 18393
5907 1 16 . 1 1 11 11 MET CB C 25 30.695 30.695 30.820 -0.125 18393
5908 1 16 . 1 1 11 11 MET H H 25 8.201 8.201 8.377 -0.176 18393
5909 1 16 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.670 -0.346 18393
5910 1 16 . 1 1 12 12 PRO C C 26 174.890 174.890 176.095 -1.205 18393
5911 1 16 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.705 0.776 18393
5912 1 16 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.667 0.058 18393
5913 1 16 . 1 1 13 13 SER N N 27 116.608 116.608 115.303 1.305 18393
5914 1 16 . 1 1 13 13 SER HA H 27 4.781 4.781 4.757 0.024 18393
5915 1 16 . 1 1 13 13 SER C C 27 173.365 173.365 173.544 -0.179 18393
5916 1 16 . 1 1 13 13 SER CA C 27 57.219 57.219 58.166 -0.947 18393
5917 1 16 . 1 1 13 13 SER CB C 27 64.227 64.227 64.100 0.126 18393
5918 1 16 . 1 1 13 13 SER H H 27 8.555 8.555 8.697 -0.142 18393
5919 1 16 . 1 1 14 14 TYR N N 28 125.256 125.256 123.818 1.438 18393
5920 1 16 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.111 0.510 18393
5921 1 16 . 1 1 14 14 TYR C C 28 176.175 176.175 175.073 1.102 18393
5922 1 16 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.905 -0.342 18393
5923 1 16 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.871 0.990 18393
5924 1 16 . 1 1 14 14 TYR H H 28 8.939 8.939 8.665 0.274 18393
5925 1 16 . 1 1 15 15 ARG N N 29 120.540 120.540 124.371 -3.831 18393
5926 1 16 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.746 -0.204 18393
5927 1 16 . 1 1 15 15 ARG C C 29 173.134 173.134 175.355 -2.221 18393
5928 1 16 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.098 -0.278 18393
5929 1 16 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.337 0.384 18393
5930 1 16 . 1 1 15 15 ARG H H 29 9.159 9.159 9.109 0.050 18393
5931 1 16 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.482 -1.585 18393
5932 1 16 . 1 1 16 16 CYS C C 30 174.180 174.180 175.141 -0.961 18393
5933 1 16 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.701 -1.982 18393
5934 1 16 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.668 -1.562 18393
5935 1 16 . 1 1 17 17 VAL N N 31 132.259 132.259 126.577 5.682 18393
5936 1 16 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.074 -0.423 18393
5937 1 16 . 1 1 17 17 VAL C C 31 175.711 175.711 175.727 -0.016 18393
5938 1 16 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.215 -0.129 18393
5939 1 16 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.234 0.278 18393
5940 1 16 . 1 1 17 17 VAL H H 31 8.659 8.659 8.749 -0.090 18393
5941 1 16 . 1 1 18 18 LYS N N 32 118.630 118.630 120.684 -2.054 18393
5942 1 16 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.573 -0.213 18393
5943 1 16 . 1 1 18 18 LYS C C 32 173.015 173.015 174.214 -1.199 18393
5944 1 16 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.622 0.780 18393
5945 1 16 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.906 1.098 18393
5946 1 16 . 1 1 18 18 LYS H H 32 7.673 7.673 8.303 -0.630 18393
5947 1 16 . 1 1 19 19 GLU N N 33 125.800 125.800 126.294 -0.494 18393
5948 1 16 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.702 0.151 18393
5949 1 16 . 1 1 19 19 GLU C C 33 175.060 175.060 176.524 -1.464 18393
5950 1 16 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.191 -1.627 18393
5951 1 16 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.758 -0.621 18393
5952 1 16 . 1 1 19 19 GLU H H 33 8.431 8.431 8.754 -0.323 18393
5953 1 16 . 1 1 20 20 GLY N N 34 111.079 111.079 115.424 -4.345 18393
5954 1 16 . 1 1 20 20 GLY C C 34 172.318 172.318 174.174 -1.856 18393
5955 1 16 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.399 -0.758 18393
5956 1 16 . 1 1 20 20 GLY H H 34 8.345 8.345 9.042 -0.697 18393
5957 1 16 . 1 1 21 21 GLY N N 35 107.395 107.395 110.157 -2.762 18393
5958 1 16 . 1 1 21 21 GLY C C 35 171.757 171.757 173.394 -1.637 18393
5959 1 16 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.890 -1.153 18393
5960 1 16 . 1 1 21 21 GLY H H 35 8.184 8.184 7.818 0.366 18393
5961 1 16 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.207 0.269 18393
5962 1 16 . 1 1 22 22 PRO C C 36 177.171 177.171 176.339 0.832 18393
5963 1 16 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.961 -2.698 18393
5964 1 16 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.861 0.400 18393
5965 1 16 . 1 1 23 23 ALA N N 37 120.595 120.595 116.679 3.916 18393
5966 1 16 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.212 -0.389 18393
5967 1 16 . 1 1 23 23 ALA C C 37 178.547 178.547 176.594 1.953 18393
5968 1 16 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.248 3.245 18393
5969 1 16 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.456 0.095 18393
5970 1 16 . 1 1 23 23 ALA H H 37 8.580 8.580 7.648 0.932 18393
5971 1 16 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.547 0.068 18393
5972 1 16 . 1 1 24 24 HIS C C 38 174.890 174.890 174.947 -0.057 18393
5973 1 16 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.299 -0.438 18393
5974 1 16 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.409 0.951 18393
5975 1 16 . 1 1 25 25 ALA N N 39 128.271 128.271 123.034 5.237 18393
5976 1 16 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.545 -0.071 18393
5977 1 16 . 1 1 25 25 ALA C C 39 174.351 174.351 176.121 -1.770 18393
5978 1 16 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.557 -0.241 18393
5979 1 16 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.494 -1.383 18393
5980 1 16 . 1 1 25 25 ALA H H 39 7.697 7.697 7.716 -0.019 18393
5981 1 16 . 1 1 26 26 LYS N N 40 121.927 121.927 119.190 2.737 18393
5982 1 16 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.327 -0.209 18393
5983 1 16 . 1 1 26 26 LYS C C 40 177.551 177.551 175.349 2.202 18393
5984 1 16 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.842 1.302 18393
5985 1 16 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.307 0.765 18393
5986 1 16 . 1 1 26 26 LYS H H 40 7.990 7.990 8.402 -0.412 18393
5987 1 16 . 1 1 27 27 ARG N N 41 119.572 119.572 119.156 0.416 18393
5988 1 16 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.001 0.637 18393
5989 1 16 . 1 1 27 27 ARG C C 41 174.770 174.770 175.510 -0.740 18393
5990 1 16 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.764 -2.287 18393
5991 1 16 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.697 2.693 18393
5992 1 16 . 1 1 27 27 ARG H H 41 8.296 8.296 7.609 0.687 18393
5993 1 16 . 1 1 28 28 PHE N N 42 120.381 120.381 124.254 -3.873 18393
5994 1 16 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.139 -0.092 18393
5995 1 16 . 1 1 28 28 PHE C C 42 174.407 174.407 175.911 -1.504 18393
5996 1 16 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.746 2.280 18393
5997 1 16 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.625 2.504 18393
5998 1 16 . 1 1 28 28 PHE H H 42 9.339 9.339 8.930 0.409 18393
5999 1 16 . 1 1 29 29 THR N N 43 117.999 117.999 119.948 -1.949 18393
6000 1 16 . 1 1 29 29 THR HA H 43 4.704 4.704 4.788 -0.084 18393
6001 1 16 . 1 1 29 29 THR C C 43 173.713 173.713 172.833 0.880 18393
6002 1 16 . 1 1 29 29 THR CA C 43 62.117 62.117 61.944 0.173 18393
6003 1 16 . 1 1 29 29 THR CB C 43 70.104 70.104 70.070 0.034 18393
6004 1 16 . 1 1 29 29 THR H H 43 8.949 8.949 9.137 -0.188 18393
6005 1 16 . 1 1 30 30 PHE N N 44 129.592 129.592 127.465 2.127 18393
6006 1 16 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.037 0.358 18393
6007 1 16 . 1 1 30 30 PHE C C 44 173.221 173.221 172.855 0.366 18393
6008 1 16 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.830 0.593 18393
6009 1 16 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.710 1.207 18393
6010 1 16 . 1 1 30 30 PHE H H 44 10.048 10.048 8.890 1.158 18393
6011 1 16 . 1 1 31 31 GLY N N 45 105.921 105.921 109.375 -3.454 18393
6012 1 16 . 1 1 31 31 GLY C C 45 172.774 172.774 171.708 1.066 18393
6013 1 16 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.401 0.137 18393
6014 1 16 . 1 1 31 31 GLY H H 45 9.290 9.290 7.763 1.527 18393
6015 1 16 . 1 1 32 32 VAL N N 46 121.311 121.311 120.901 0.410 18393
6016 1 16 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.696 0.654 18393
6017 1 16 . 1 1 32 32 VAL C C 46 171.140 171.140 174.779 -3.639 18393
6018 1 16 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.612 -0.780 18393
6019 1 16 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.230 2.156 18393
6020 1 16 . 1 1 32 32 VAL H H 46 8.906 8.906 7.797 1.109 18393
6021 1 16 . 1 1 33 33 ARG N N 47 122.102 122.102 120.543 1.559 18393
6022 1 16 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.196 -0.625 18393
6023 1 16 . 1 1 33 33 ARG C C 47 173.683 173.683 174.682 -0.999 18393
6024 1 16 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.335 0.623 18393
6025 1 16 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.688 2.028 18393
6026 1 16 . 1 1 33 33 ARG H H 47 8.008 8.008 7.913 0.095 18393
6027 1 16 . 1 1 34 34 VAL N N 48 117.391 117.391 120.631 -3.240 18393
6028 1 16 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.541 0.246 18393
6029 1 16 . 1 1 34 34 VAL C C 48 172.777 172.777 173.662 -0.885 18393
6030 1 16 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.442 -0.472 18393
6031 1 16 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.673 0.639 18393
6032 1 16 . 1 1 34 34 VAL H H 48 8.103 8.103 9.103 -1.000 18393
6033 1 16 . 1 1 35 35 ASN N N 49 127.065 127.065 122.470 4.595 18393
6034 1 16 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.447 -0.911 18393
6035 1 16 . 1 1 35 35 ASN C C 49 174.221 174.221 174.146 0.075 18393
6036 1 16 . 1 1 35 35 ASN CA C 49 50.607 50.607 50.969 -0.363 18393
6037 1 16 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.611 -2.869 18393
6038 1 16 . 1 1 35 35 ASN H H 49 8.543 8.543 8.732 -0.189 18393
6039 1 16 . 1 1 36 36 THR N N 50 114.402 114.402 115.257 -0.855 18393
6040 1 16 . 1 1 36 36 THR HA H 50 2.159 2.159 2.657 -0.498 18393
6041 1 16 . 1 1 36 36 THR C C 50 175.168 175.168 175.241 -0.073 18393
6042 1 16 . 1 1 36 36 THR CA C 50 61.126 61.126 61.164 -0.038 18393
6043 1 16 . 1 1 36 36 THR CB C 50 69.987 69.987 68.885 1.102 18393
6044 1 16 . 1 1 36 36 THR H H 50 6.801 6.801 7.768 -0.967 18393
6045 1 16 . 1 1 37 37 SER N N 51 114.587 114.587 120.725 -6.138 18393
6046 1 16 . 1 1 37 37 SER HA H 51 4.105 4.105 4.016 0.089 18393
6047 1 16 . 1 1 37 37 SER C C 51 174.760 174.760 175.062 -0.302 18393
6048 1 16 . 1 1 37 37 SER CA C 51 59.958 59.958 61.367 -1.409 18393
6049 1 16 . 1 1 37 37 SER CB C 51 63.115 63.115 63.118 -0.003 18393
6050 1 16 . 1 1 37 37 SER H H 51 6.797 6.797 8.406 -1.609 18393
6051 1 16 . 1 1 38 38 ASP N N 52 117.329 117.329 120.482 -3.153 18393
6052 1 16 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.529 0.060 18393
6053 1 16 . 1 1 38 38 ASP C C 52 177.236 177.236 176.469 0.767 18393
6054 1 16 . 1 1 38 38 ASP CA C 52 54.550 54.550 56.588 -2.038 18393
6055 1 16 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.715 -0.110 18393
6056 1 16 . 1 1 38 38 ASP H H 52 8.784 8.784 8.423 0.361 18393
6057 1 16 . 1 1 39 39 ARG N N 53 118.330 118.330 115.941 2.389 18393
6058 1 16 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.488 0.008 18393
6059 1 16 . 1 1 39 39 ARG C C 53 176.062 176.062 176.351 -0.289 18393
6060 1 16 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.685 -0.635 18393
6061 1 16 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.033 -1.592 18393
6062 1 16 . 1 1 39 39 ARG H H 53 7.666 7.666 7.640 0.026 18393
6063 1 16 . 1 1 40 40 GLY N N 54 110.510 110.510 107.127 3.383 18393
6064 1 16 . 1 1 40 40 GLY C C 54 177.680 177.680 172.613 5.067 18393
6065 1 16 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.099 0.578 18393
6066 1 16 . 1 1 40 40 GLY H H 54 7.248 7.248 7.640 -0.392 18393
6067 1 16 . 1 1 41 41 TRP N N 55 123.328 123.328 123.593 -0.265 18393
6068 1 16 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.779 0.140 18393
6069 1 16 . 1 1 41 41 TRP C C 55 178.873 178.873 177.470 1.403 18393
6070 1 16 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.210 0.907 18393
6071 1 16 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.408 0.366 18393
6072 1 16 . 1 1 41 41 TRP H H 55 8.289 8.289 8.247 0.042 18393
6073 1 16 . 1 1 42 42 THR N N 56 114.627 114.627 118.405 -3.778 18393
6074 1 16 . 1 1 42 42 THR HA H 56 4.329 4.329 4.257 0.072 18393
6075 1 16 . 1 1 42 42 THR C C 56 175.261 175.261 174.667 0.594 18393
6076 1 16 . 1 1 42 42 THR CA C 56 61.698 61.698 61.534 0.164 18393
6077 1 16 . 1 1 42 42 THR CB C 56 72.359 72.359 69.757 2.602 18393
6078 1 16 . 1 1 42 42 THR H H 56 8.972 8.972 8.521 0.451 18393
6079 1 16 . 1 1 43 43 ASP N N 57 120.151 120.151 121.556 -1.405 18393
6080 1 16 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.442 0.003 18393
6081 1 16 . 1 1 43 43 ASP C C 57 175.710 175.710 176.306 -0.596 18393
6082 1 16 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.952 0.425 18393
6083 1 16 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.198 -0.326 18393
6084 1 16 . 1 1 43 43 ASP H H 57 8.379 8.379 8.377 0.002 18393
6085 1 16 . 1 1 44 44 GLU N N 58 122.449 122.449 124.149 -1.700 18393
6086 1 16 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.431 0.034 18393
6087 1 16 . 1 1 44 44 GLU C C 58 176.412 176.412 176.795 -0.383 18393
6088 1 16 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.885 -1.414 18393
6089 1 16 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.865 1.193 18393
6090 1 16 . 1 1 44 44 GLU H H 58 8.581 8.581 8.614 -0.033 18393
6091 1 16 . 1 1 45 45 CYS N N 59 126.725 126.725 127.980 -1.255 18393
6092 1 16 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.467 0.228 18393
6093 1 16 . 1 1 45 45 CYS C C 59 173.364 173.364 174.186 -0.822 18393
6094 1 16 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.664 1.256 18393
6095 1 16 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.908 3.776 18393
6096 1 16 . 1 1 45 45 CYS H H 59 8.671 8.671 8.830 -0.159 18393
6097 1 16 . 1 1 46 46 ILE N N 60 126.614 126.614 126.749 -0.135 18393
6098 1 16 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.198 0.495 18393
6099 1 16 . 1 1 46 46 ILE C C 60 176.175 176.175 176.750 -0.575 18393
6100 1 16 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.479 0.297 18393
6101 1 16 . 1 1 46 46 ILE CB C 60 38.346 38.346 36.909 1.437 18393
6102 1 16 . 1 1 46 46 ILE H H 60 8.735 8.735 7.850 0.885 18393
6103 1 16 . 1 1 47 47 GLY N N 61 112.366 112.366 116.975 -4.609 18393
6104 1 16 . 1 1 47 47 GLY C C 61 171.844 171.844 173.627 -1.783 18393
6105 1 16 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.260 0.023 18393
6106 1 16 . 1 1 47 47 GLY H H 61 8.610 8.610 8.850 -0.240 18393
6107 1 16 . 1 1 48 48 GLU N N 62 115.030 115.030 120.110 -5.080 18393
6108 1 16 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.688 -0.143 18393
6109 1 16 . 1 1 48 48 GLU C C 62 174.927 174.927 174.572 0.355 18393
6110 1 16 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.886 -0.004 18393
6111 1 16 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.224 0.125 18393
6112 1 16 . 1 1 48 48 GLU H H 62 8.214 8.214 8.003 0.211 18393
6113 1 16 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.369 0.495 18393
6114 1 16 . 1 1 49 49 PRO C C 63 178.286 178.286 176.131 2.155 18393
6115 1 16 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.824 -1.564 18393
6116 1 16 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.739 -0.472 18393
6117 1 16 . 1 1 50 50 MET N N 64 123.505 123.505 125.066 -1.561 18393
6118 1 16 . 1 1 50 50 MET HA H 64 5.530 5.530 4.887 0.643 18393
6119 1 16 . 1 1 50 50 MET C C 64 176.337 176.337 175.103 1.234 18393
6120 1 16 . 1 1 50 50 MET CA C 64 51.674 51.674 51.382 0.292 18393
6121 1 16 . 1 1 50 50 MET CB C 64 37.597 37.597 34.251 3.346 18393
6122 1 16 . 1 1 50 50 MET H H 64 9.267 9.267 8.836 0.431 18393
6123 1 16 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.287 0.799 18393
6124 1 16 . 1 1 51 51 PRO C C 65 174.862 174.862 175.582 -0.720 18393
6125 1 16 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.842 0.824 18393
6126 1 16 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.725 0.802 18393
6127 1 16 . 1 1 52 52 SER N N 66 109.598 109.598 111.937 -2.339 18393
6128 1 16 . 1 1 52 52 SER HA H 66 4.813 4.813 5.002 -0.189 18393
6129 1 16 . 1 1 52 52 SER C C 66 173.368 173.368 174.765 -1.397 18393
6130 1 16 . 1 1 52 52 SER CA C 66 55.463 55.463 57.519 -2.055 18393
6131 1 16 . 1 1 52 52 SER CB C 66 66.775 66.775 67.277 -0.502 18393
6132 1 16 . 1 1 52 52 SER H H 66 7.165 7.165 7.403 -0.238 18393
6133 1 16 . 1 1 53 53 VAL N N 67 124.347 124.347 123.692 0.655 18393
6134 1 16 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.997 -1.167 18393
6135 1 16 . 1 1 53 53 VAL C C 67 177.116 177.116 176.957 0.159 18393
6136 1 16 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.227 1.603 18393
6137 1 16 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.586 -0.262 18393
6138 1 16 . 1 1 53 53 VAL H H 67 8.522 8.522 8.985 -0.463 18393
6139 1 16 . 1 1 54 54 LYS N N 68 118.639 118.639 120.148 -1.509 18393
6140 1 16 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.058 -0.589 18393
6141 1 16 . 1 1 54 54 LYS C C 68 178.286 178.286 178.562 -0.276 18393
6142 1 16 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.838 0.512 18393
6143 1 16 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.921 0.443 18393
6144 1 16 . 1 1 54 54 LYS H H 68 8.098 8.098 8.578 -0.480 18393
6145 1 16 . 1 1 55 55 LYS N N 69 115.388 115.388 118.551 -3.163 18393
6146 1 16 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.311 -0.217 18393
6147 1 16 . 1 1 55 55 LYS C C 69 179.694 179.694 178.502 1.192 18393
6148 1 16 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.340 0.488 18393
6149 1 16 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.012 0.827 18393
6150 1 16 . 1 1 55 55 LYS H H 69 7.499 7.499 7.625 -0.126 18393
6151 1 16 . 1 1 56 56 ALA N N 70 124.226 124.226 124.910 -0.684 18393
6152 1 16 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.178 -0.029 18393
6153 1 16 . 1 1 56 56 ALA C C 70 181.217 181.217 179.450 1.767 18393
6154 1 16 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.317 0.399 18393
6155 1 16 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.539 1.971 18393
6156 1 16 . 1 1 56 56 ALA H H 70 8.296 8.296 8.089 0.207 18393
6157 1 16 . 1 1 57 57 LYS N N 71 120.522 120.522 117.901 2.621 18393
6158 1 16 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.165 -0.522 18393
6159 1 16 . 1 1 57 57 LYS C C 71 177.937 177.937 178.867 -0.930 18393
6160 1 16 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.087 1.000 18393
6161 1 16 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.009 0.119 18393
6162 1 16 . 1 1 57 57 LYS H H 71 8.385 8.385 7.571 0.814 18393
6163 1 16 . 1 1 58 58 ASP N N 72 119.428 119.428 119.189 0.239 18393
6164 1 16 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.407 -0.101 18393
6165 1 16 . 1 1 58 58 ASP C C 72 177.042 177.042 178.579 -1.537 18393
6166 1 16 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.365 0.775 18393
6167 1 16 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.790 -0.665 18393
6168 1 16 . 1 1 58 58 ASP H H 72 8.029 8.029 7.920 0.109 18393
6169 1 16 . 1 1 59 59 SER N N 73 111.435 111.435 115.322 -3.887 18393
6170 1 16 . 1 1 59 59 SER HA H 73 4.243 4.243 4.106 0.137 18393
6171 1 16 . 1 1 59 59 SER C C 73 177.000 177.000 176.580 0.420 18393
6172 1 16 . 1 1 59 59 SER CA C 73 63.579 63.579 61.661 1.918 18393
6173 1 16 . 1 1 59 59 SER CB C 73 60.947 60.947 63.177 -2.230 18393
6174 1 16 . 1 1 59 59 SER H H 73 7.785 7.785 8.116 -0.331 18393
6175 1 16 . 1 1 60 60 ALA N N 74 120.363 120.363 123.222 -2.859 18393
6176 1 16 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.040 -0.077 18393
6177 1 16 . 1 1 60 60 ALA C C 74 178.170 178.170 179.441 -1.271 18393
6178 1 16 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.811 0.687 18393
6179 1 16 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.488 -0.577 18393
6180 1 16 . 1 1 60 60 ALA H H 74 7.472 7.472 7.758 -0.286 18393
6181 1 16 . 1 1 61 61 ALA N N 75 118.116 118.116 121.203 -3.087 18393
6182 1 16 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.127 -0.179 18393
6183 1 16 . 1 1 61 61 ALA C C 75 179.341 179.341 179.531 -0.190 18393
6184 1 16 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.044 0.616 18393
6185 1 16 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.585 0.356 18393
6186 1 16 . 1 1 61 61 ALA H H 75 8.653 8.653 8.432 0.221 18393
6187 1 16 . 1 1 62 62 VAL N N 76 115.858 115.858 117.921 -2.063 18393
6188 1 16 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.751 -0.095 18393
6189 1 16 . 1 1 62 62 VAL C C 76 178.051 178.051 177.660 0.391 18393
6190 1 16 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.844 -0.193 18393
6191 1 16 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.603 0.244 18393
6192 1 16 . 1 1 62 62 VAL H H 76 8.124 8.124 7.554 0.570 18393
6193 1 16 . 1 1 63 63 LEU N N 77 119.881 119.881 119.258 0.623 18393
6194 1 16 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.054 0.135 18393
6195 1 16 . 1 1 63 63 LEU C C 77 179.692 179.692 178.704 0.988 18393
6196 1 16 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.248 0.336 18393
6197 1 16 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.452 0.464 18393
6198 1 16 . 1 1 63 63 LEU H H 77 7.038 7.038 7.412 -0.374 18393
6199 1 16 . 1 1 64 64 LEU N N 78 122.083 122.083 120.633 1.450 18393
6200 1 16 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.044 0.484 18393
6201 1 16 . 1 1 64 64 LEU C C 78 178.601 178.601 179.282 -0.681 18393
6202 1 16 . 1 1 64 64 LEU CA C 78 57.458 57.458 58.017 -0.559 18393
6203 1 16 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.873 -0.619 18393
6204 1 16 . 1 1 64 64 LEU H H 78 7.694 7.694 7.805 -0.111 18393
6205 1 16 . 1 1 65 65 LEU N N 79 120.548 120.548 118.276 2.272 18393
6206 1 16 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.936 -0.072 18393
6207 1 16 . 1 1 65 65 LEU C C 79 178.861 178.861 179.443 -0.582 18393
6208 1 16 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.997 0.480 18393
6209 1 16 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.139 0.479 18393
6210 1 16 . 1 1 65 65 LEU H H 79 8.671 8.671 8.102 0.569 18393
6211 1 16 . 1 1 66 66 GLU N N 80 117.398 117.398 118.427 -1.029 18393
6212 1 16 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.059 -0.000 18393
6213 1 16 . 1 1 66 66 GLU C C 80 178.957 178.957 178.633 0.324 18393
6214 1 16 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.963 0.373 18393
6215 1 16 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.310 0.071 18393
6216 1 16 . 1 1 66 66 GLU H H 80 7.613 7.613 7.522 0.091 18393
6217 1 16 . 1 1 67 67 LEU N N 81 120.633 120.633 120.139 0.494 18393
6218 1 16 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.062 0.098 18393
6219 1 16 . 1 1 67 67 LEU C C 81 180.162 180.162 179.469 0.693 18393
6220 1 16 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.850 0.263 18393
6221 1 16 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.261 -0.204 18393
6222 1 16 . 1 1 67 67 LEU H H 81 7.656 7.656 7.551 0.105 18393
6223 1 16 . 1 1 68 68 LEU N N 82 118.949 118.949 119.912 -0.963 18393
6224 1 16 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.149 0.014 18393
6225 1 16 . 1 1 68 68 LEU C C 82 178.289 178.289 178.612 -0.323 18393
6226 1 16 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.861 -0.006 18393
6227 1 16 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.052 0.966 18393
6228 1 16 . 1 1 68 68 LEU H H 82 8.583 8.583 8.711 -0.128 18393
6229 1 16 . 1 1 69 69 ASN N N 83 116.570 116.570 116.349 0.221 18393
6230 1 16 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.619 0.110 18393
6231 1 16 . 1 1 69 69 ASN C C 83 174.784 174.784 175.526 -0.742 18393
6232 1 16 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.567 -0.828 18393
6233 1 16 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.711 0.437 18393
6234 1 16 . 1 1 69 69 ASN H H 83 7.920 7.920 8.067 -0.147 18393
6235 1 16 . 1 1 70 70 LYS N N 84 120.363 120.363 119.354 1.009 18393
6236 1 16 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.590 -0.186 18393
6237 1 16 . 1 1 70 70 LYS C C 84 175.910 175.910 175.506 0.404 18393
6238 1 16 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.351 1.485 18393
6239 1 16 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.745 0.254 18393
6240 1 16 . 1 1 70 70 LYS H H 84 7.593 7.593 7.635 -0.042 18393
6241 1 17 . 1 1 2 2 ASP N N 16 119.381 119.381 121.424 -2.043 18393
6242 1 17 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.433 -0.093 18393
6243 1 17 . 1 1 2 2 ASP C C 16 178.935 178.935 178.171 0.764 18393
6244 1 17 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.761 -0.053 18393
6245 1 17 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.731 -0.050 18393
6246 1 17 . 1 1 2 2 ASP H H 16 8.320 8.320 8.667 -0.347 18393
6247 1 17 . 1 1 3 3 ILE N N 17 121.475 121.475 120.568 0.907 18393
6248 1 17 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.913 -0.367 18393
6249 1 17 . 1 1 3 3 ILE C C 17 177.116 177.116 178.318 -1.202 18393
6250 1 17 . 1 1 3 3 ILE CA C 17 65.233 65.233 63.802 1.431 18393
6251 1 17 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.380 0.321 18393
6252 1 17 . 1 1 3 3 ILE H H 17 7.793 7.793 8.005 -0.212 18393
6253 1 17 . 1 1 4 4 CYS N N 18 117.506 117.506 118.641 -1.135 18393
6254 1 17 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.343 -0.401 18393
6255 1 17 . 1 1 4 4 CYS C C 18 176.671 176.671 177.008 -0.337 18393
6256 1 17 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.582 2.042 18393
6257 1 17 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.978 -1.013 18393
6258 1 17 . 1 1 4 4 CYS H H 18 7.823 7.823 8.018 -0.195 18393
6259 1 17 . 1 1 5 5 LEU N N 19 118.832 118.832 122.072 -3.240 18393
6260 1 17 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.289 -0.193 18393
6261 1 17 . 1 1 5 5 LEU C C 19 180.698 180.698 179.583 1.115 18393
6262 1 17 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.783 0.154 18393
6263 1 17 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.876 0.190 18393
6264 1 17 . 1 1 5 5 LEU H H 19 8.101 8.101 8.673 -0.572 18393
6265 1 17 . 1 1 6 6 ARG N N 20 119.443 119.443 120.426 -0.983 18393
6266 1 17 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.008 -0.074 18393
6267 1 17 . 1 1 6 6 ARG C C 20 178.169 178.169 177.514 0.655 18393
6268 1 17 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.229 0.646 18393
6269 1 17 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.855 0.125 18393
6270 1 17 . 1 1 6 6 ARG H H 20 7.934 7.934 8.213 -0.279 18393
6271 1 17 . 1 1 7 7 LYS N N 21 116.636 116.636 116.309 0.327 18393
6272 1 17 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.864 -0.091 18393
6273 1 17 . 1 1 7 7 LYS C C 21 175.224 175.224 175.875 -0.651 18393
6274 1 17 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.089 -0.011 18393
6275 1 17 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.586 -0.069 18393
6276 1 17 . 1 1 7 7 LYS H H 21 7.553 7.553 7.310 0.243 18393
6277 1 17 . 1 1 8 8 ASN N N 22 114.898 114.898 114.323 0.575 18393
6278 1 17 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.439 -0.137 18393
6279 1 17 . 1 1 8 8 ASN C C 22 174.073 174.073 174.597 -0.524 18393
6280 1 17 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.231 0.202 18393
6281 1 17 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.508 -0.491 18393
6282 1 17 . 1 1 8 8 ASN H H 22 7.640 7.640 7.688 -0.048 18393
6283 1 17 . 1 1 9 9 TRP N N 23 120.563 120.563 119.363 1.200 18393
6284 1 17 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.083 0.158 18393
6285 1 17 . 1 1 9 9 TRP C C 23 173.601 173.601 175.191 -1.590 18393
6286 1 17 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.480 -2.660 18393
6287 1 17 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.514 1.060 18393
6288 1 17 . 1 1 9 9 TRP H H 23 8.692 8.692 7.680 1.012 18393
6289 1 17 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.540 -0.081 18393
6290 1 17 . 1 1 10 10 PRO C C 24 175.391 175.391 176.333 -0.942 18393
6291 1 17 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.371 -0.273 18393
6292 1 17 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.755 -1.173 18393
6293 1 17 . 1 1 11 11 MET N N 25 116.562 116.562 117.467 -0.905 18393
6294 1 17 . 1 1 11 11 MET HA H 25 4.751 4.751 4.719 0.032 18393
6295 1 17 . 1 1 11 11 MET C C 25 175.240 175.240 174.997 0.243 18393
6296 1 17 . 1 1 11 11 MET CA C 25 53.800 53.800 53.343 0.457 18393
6297 1 17 . 1 1 11 11 MET CB C 25 30.695 30.695 30.765 -0.070 18393
6298 1 17 . 1 1 11 11 MET H H 25 8.201 8.201 8.450 -0.249 18393
6299 1 17 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.648 -0.324 18393
6300 1 17 . 1 1 12 12 PRO C C 26 174.890 174.890 176.020 -1.130 18393
6301 1 17 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.757 0.724 18393
6302 1 17 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.706 0.019 18393
6303 1 17 . 1 1 13 13 SER N N 27 116.608 116.608 115.459 1.149 18393
6304 1 17 . 1 1 13 13 SER HA H 27 4.781 4.781 4.732 0.049 18393
6305 1 17 . 1 1 13 13 SER C C 27 173.365 173.365 173.537 -0.172 18393
6306 1 17 . 1 1 13 13 SER CA C 27 57.219 57.219 58.392 -1.173 18393
6307 1 17 . 1 1 13 13 SER CB C 27 64.227 64.227 63.864 0.363 18393
6308 1 17 . 1 1 13 13 SER H H 27 8.555 8.555 8.576 -0.021 18393
6309 1 17 . 1 1 14 14 TYR N N 28 125.256 125.256 123.291 1.965 18393
6310 1 17 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.066 0.555 18393
6311 1 17 . 1 1 14 14 TYR C C 28 176.175 176.175 174.605 1.570 18393
6312 1 17 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.852 -0.289 18393
6313 1 17 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.863 0.998 18393
6314 1 17 . 1 1 14 14 TYR H H 28 8.939 8.939 8.667 0.272 18393
6315 1 17 . 1 1 15 15 ARG N N 29 120.540 120.540 126.070 -5.530 18393
6316 1 17 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.776 -0.234 18393
6317 1 17 . 1 1 15 15 ARG C C 29 173.134 173.134 174.768 -1.634 18393
6318 1 17 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.948 -0.128 18393
6319 1 17 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.556 0.165 18393
6320 1 17 . 1 1 15 15 ARG H H 29 9.159 9.159 9.040 0.119 18393
6321 1 17 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.666 -1.769 18393
6322 1 17 . 1 1 16 16 CYS C C 30 174.180 174.180 175.768 -1.588 18393
6323 1 17 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.039 -0.320 18393
6324 1 17 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.244 -2.138 18393
6325 1 17 . 1 1 17 17 VAL N N 31 132.259 132.259 121.377 10.882 18393
6326 1 17 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.125 -0.474 18393
6327 1 17 . 1 1 17 17 VAL C C 31 175.711 175.711 175.772 -0.061 18393
6328 1 17 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.680 0.406 18393
6329 1 17 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.014 0.498 18393
6330 1 17 . 1 1 17 17 VAL H H 31 8.659 8.659 8.535 0.124 18393
6331 1 17 . 1 1 18 18 LYS N N 32 118.630 118.630 121.568 -2.938 18393
6332 1 17 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.581 -0.221 18393
6333 1 17 . 1 1 18 18 LYS C C 32 173.015 173.015 174.277 -1.262 18393
6334 1 17 . 1 1 18 18 LYS CA C 32 56.402 56.402 56.110 0.292 18393
6335 1 17 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.089 0.915 18393
6336 1 17 . 1 1 18 18 LYS H H 32 7.673 7.673 8.171 -0.498 18393
6337 1 17 . 1 1 19 19 GLU N N 33 125.800 125.800 126.079 -0.279 18393
6338 1 17 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.750 0.103 18393
6339 1 17 . 1 1 19 19 GLU C C 33 175.060 175.060 175.989 -0.929 18393
6340 1 17 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.879 -1.315 18393
6341 1 17 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.691 -0.554 18393
6342 1 17 . 1 1 19 19 GLU H H 33 8.431 8.431 8.631 -0.200 18393
6343 1 17 . 1 1 20 20 GLY N N 34 111.079 111.079 114.560 -3.481 18393
6344 1 17 . 1 1 20 20 GLY C C 34 172.318 172.318 173.491 -1.173 18393
6345 1 17 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.175 -0.534 18393
6346 1 17 . 1 1 20 20 GLY H H 34 8.345 8.345 8.573 -0.228 18393
6347 1 17 . 1 1 21 21 GLY N N 35 107.395 107.395 110.005 -2.610 18393
6348 1 17 . 1 1 21 21 GLY C C 35 171.757 171.757 173.393 -1.636 18393
6349 1 17 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.803 -1.066 18393
6350 1 17 . 1 1 21 21 GLY H H 35 8.184 8.184 8.234 -0.050 18393
6351 1 17 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.348 0.128 18393
6352 1 17 . 1 1 22 22 PRO C C 36 177.171 177.171 176.172 0.999 18393
6353 1 17 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.448 -2.185 18393
6354 1 17 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.983 0.278 18393
6355 1 17 . 1 1 23 23 ALA N N 37 120.595 120.595 115.703 4.892 18393
6356 1 17 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.247 -0.424 18393
6357 1 17 . 1 1 23 23 ALA C C 37 178.547 178.547 176.682 1.865 18393
6358 1 17 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.590 2.904 18393
6359 1 17 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.685 -0.134 18393
6360 1 17 . 1 1 23 23 ALA H H 37 8.580 8.580 7.735 0.845 18393
6361 1 17 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.536 0.079 18393
6362 1 17 . 1 1 24 24 HIS C C 38 174.890 174.890 175.602 -0.712 18393
6363 1 17 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.348 -1.487 18393
6364 1 17 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.943 0.417 18393
6365 1 17 . 1 1 25 25 ALA N N 39 128.271 128.271 123.335 4.936 18393
6366 1 17 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.395 0.079 18393
6367 1 17 . 1 1 25 25 ALA C C 39 174.351 174.351 176.367 -2.016 18393
6368 1 17 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.258 0.058 18393
6369 1 17 . 1 1 25 25 ALA CB C 39 18.111 18.111 17.575 0.536 18393
6370 1 17 . 1 1 25 25 ALA H H 39 7.697 7.697 7.897 -0.200 18393
6371 1 17 . 1 1 26 26 LYS N N 40 121.927 121.927 119.771 2.156 18393
6372 1 17 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.301 -0.183 18393
6373 1 17 . 1 1 26 26 LYS C C 40 177.551 177.551 175.224 2.327 18393
6374 1 17 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.452 1.692 18393
6375 1 17 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.446 0.626 18393
6376 1 17 . 1 1 26 26 LYS H H 40 7.990 7.990 7.697 0.293 18393
6377 1 17 . 1 1 27 27 ARG N N 41 119.572 119.572 118.567 1.005 18393
6378 1 17 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.228 0.410 18393
6379 1 17 . 1 1 27 27 ARG C C 41 174.770 174.770 175.714 -0.944 18393
6380 1 17 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.594 -2.116 18393
6381 1 17 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.983 2.407 18393
6382 1 17 . 1 1 27 27 ARG H H 41 8.296 8.296 7.540 0.756 18393
6383 1 17 . 1 1 28 28 PHE N N 42 120.381 120.381 123.139 -2.758 18393
6384 1 17 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.213 -0.166 18393
6385 1 17 . 1 1 28 28 PHE C C 42 174.407 174.407 175.813 -1.406 18393
6386 1 17 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.190 1.836 18393
6387 1 17 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.459 2.670 18393
6388 1 17 . 1 1 28 28 PHE H H 42 9.339 9.339 8.880 0.459 18393
6389 1 17 . 1 1 29 29 THR N N 43 117.999 117.999 120.122 -2.123 18393
6390 1 17 . 1 1 29 29 THR HA H 43 4.704 4.704 4.818 -0.114 18393
6391 1 17 . 1 1 29 29 THR C C 43 173.713 173.713 172.714 0.999 18393
6392 1 17 . 1 1 29 29 THR CA C 43 62.117 62.117 61.571 0.546 18393
6393 1 17 . 1 1 29 29 THR CB C 43 70.104 70.104 70.928 -0.824 18393
6394 1 17 . 1 1 29 29 THR H H 43 8.949 8.949 9.092 -0.143 18393
6395 1 17 . 1 1 30 30 PHE N N 44 129.592 129.592 127.009 2.583 18393
6396 1 17 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.041 0.354 18393
6397 1 17 . 1 1 30 30 PHE C C 44 173.221 173.221 172.827 0.394 18393
6398 1 17 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.987 0.436 18393
6399 1 17 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.565 1.353 18393
6400 1 17 . 1 1 30 30 PHE H H 44 10.048 10.048 8.852 1.196 18393
6401 1 17 . 1 1 31 31 GLY N N 45 105.921 105.921 109.533 -3.612 18393
6402 1 17 . 1 1 31 31 GLY C C 45 172.774 172.774 171.576 1.198 18393
6403 1 17 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.438 0.100 18393
6404 1 17 . 1 1 31 31 GLY H H 45 9.290 9.290 7.876 1.414 18393
6405 1 17 . 1 1 32 32 VAL N N 46 121.311 121.311 121.352 -0.041 18393
6406 1 17 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.750 0.600 18393
6407 1 17 . 1 1 32 32 VAL C C 46 171.140 171.140 174.850 -3.710 18393
6408 1 17 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.656 -0.824 18393
6409 1 17 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.375 2.012 18393
6410 1 17 . 1 1 32 32 VAL H H 46 8.906 8.906 7.893 1.013 18393
6411 1 17 . 1 1 33 33 ARG N N 47 122.102 122.102 119.741 2.361 18393
6412 1 17 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.123 -0.552 18393
6413 1 17 . 1 1 33 33 ARG C C 47 173.683 173.683 174.458 -0.775 18393
6414 1 17 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.595 0.363 18393
6415 1 17 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.908 1.808 18393
6416 1 17 . 1 1 33 33 ARG H H 47 8.008 8.008 7.835 0.173 18393
6417 1 17 . 1 1 34 34 VAL N N 48 117.391 117.391 120.022 -2.631 18393
6418 1 17 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.512 0.275 18393
6419 1 17 . 1 1 34 34 VAL C C 48 172.777 172.777 173.506 -0.729 18393
6420 1 17 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.401 -0.431 18393
6421 1 17 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.143 0.169 18393
6422 1 17 . 1 1 34 34 VAL H H 48 8.103 8.103 9.129 -1.026 18393
6423 1 17 . 1 1 35 35 ASN N N 49 127.065 127.065 122.022 5.043 18393
6424 1 17 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.395 -0.859 18393
6425 1 17 . 1 1 35 35 ASN C C 49 174.221 174.221 174.091 0.130 18393
6426 1 17 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.422 -0.815 18393
6427 1 17 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.202 -3.459 18393
6428 1 17 . 1 1 35 35 ASN H H 49 8.543 8.543 8.640 -0.097 18393
6429 1 17 . 1 1 36 36 THR N N 50 114.402 114.402 116.011 -1.609 18393
6430 1 17 . 1 1 36 36 THR HA H 50 2.159 2.159 2.991 -0.832 18393
6431 1 17 . 1 1 36 36 THR C C 50 175.168 175.168 175.555 -0.387 18393
6432 1 17 . 1 1 36 36 THR CA C 50 61.126 61.126 61.095 0.031 18393
6433 1 17 . 1 1 36 36 THR CB C 50 69.987 69.987 68.774 1.213 18393
6434 1 17 . 1 1 36 36 THR H H 50 6.801 6.801 7.762 -0.961 18393
6435 1 17 . 1 1 37 37 SER N N 51 114.587 114.587 120.239 -5.652 18393
6436 1 17 . 1 1 37 37 SER HA H 51 4.105 4.105 4.054 0.051 18393
6437 1 17 . 1 1 37 37 SER C C 51 174.760 174.760 174.693 0.067 18393
6438 1 17 . 1 1 37 37 SER CA C 51 59.958 59.958 61.444 -1.486 18393
6439 1 17 . 1 1 37 37 SER CB C 51 63.115 63.115 63.072 0.043 18393
6440 1 17 . 1 1 37 37 SER H H 51 6.797 6.797 8.562 -1.765 18393
6441 1 17 . 1 1 38 38 ASP N N 52 117.329 117.329 117.399 -0.070 18393
6442 1 17 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.614 -0.025 18393
6443 1 17 . 1 1 38 38 ASP C C 52 177.236 177.236 176.507 0.729 18393
6444 1 17 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.458 0.092 18393
6445 1 17 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.855 -0.249 18393
6446 1 17 . 1 1 38 38 ASP H H 52 8.784 8.784 8.069 0.715 18393
6447 1 17 . 1 1 39 39 ARG N N 53 118.330 118.330 119.669 -1.339 18393
6448 1 17 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.556 -0.060 18393
6449 1 17 . 1 1 39 39 ARG C C 53 176.062 176.062 176.025 0.037 18393
6450 1 17 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.416 -1.366 18393
6451 1 17 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.287 -1.846 18393
6452 1 17 . 1 1 39 39 ARG H H 53 7.666 7.666 7.974 -0.308 18393
6453 1 17 . 1 1 40 40 GLY N N 54 110.510 110.510 107.047 3.463 18393
6454 1 17 . 1 1 40 40 GLY C C 54 177.680 177.680 172.200 5.480 18393
6455 1 17 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.281 0.396 18393
6456 1 17 . 1 1 40 40 GLY H H 54 7.248 7.248 7.825 -0.577 18393
6457 1 17 . 1 1 41 41 TRP N N 55 123.328 123.328 123.390 -0.062 18393
6458 1 17 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.620 0.299 18393
6459 1 17 . 1 1 41 41 TRP C C 55 178.873 178.873 177.328 1.545 18393
6460 1 17 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.749 0.367 18393
6461 1 17 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.474 0.300 18393
6462 1 17 . 1 1 41 41 TRP H H 55 8.289 8.289 8.300 -0.011 18393
6463 1 17 . 1 1 42 42 THR N N 56 114.627 114.627 117.379 -2.752 18393
6464 1 17 . 1 1 42 42 THR HA H 56 4.329 4.329 4.335 -0.006 18393
6465 1 17 . 1 1 42 42 THR C C 56 175.261 175.261 174.747 0.514 18393
6466 1 17 . 1 1 42 42 THR CA C 56 61.698 61.698 61.287 0.411 18393
6467 1 17 . 1 1 42 42 THR CB C 56 72.359 72.359 69.915 2.444 18393
6468 1 17 . 1 1 42 42 THR H H 56 8.972 8.972 8.493 0.479 18393
6469 1 17 . 1 1 43 43 ASP N N 57 120.151 120.151 119.443 0.708 18393
6470 1 17 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.408 0.037 18393
6471 1 17 . 1 1 43 43 ASP C C 57 175.710 175.710 176.312 -0.602 18393
6472 1 17 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.009 1.368 18393
6473 1 17 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.998 -0.126 18393
6474 1 17 . 1 1 43 43 ASP H H 57 8.379 8.379 8.335 0.044 18393
6475 1 17 . 1 1 44 44 GLU N N 58 122.449 122.449 123.487 -1.038 18393
6476 1 17 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.538 -0.073 18393
6477 1 17 . 1 1 44 44 GLU C C 58 176.412 176.412 176.619 -0.207 18393
6478 1 17 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.691 -1.220 18393
6479 1 17 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.030 1.028 18393
6480 1 17 . 1 1 44 44 GLU H H 58 8.581 8.581 8.571 0.010 18393
6481 1 17 . 1 1 45 45 CYS N N 59 126.725 126.725 127.183 -0.458 18393
6482 1 17 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.542 0.153 18393
6483 1 17 . 1 1 45 45 CYS C C 59 173.364 173.364 174.079 -0.715 18393
6484 1 17 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.760 1.160 18393
6485 1 17 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.530 3.154 18393
6486 1 17 . 1 1 45 45 CYS H H 59 8.671 8.671 8.819 -0.148 18393
6487 1 17 . 1 1 46 46 ILE N N 60 126.614 126.614 127.170 -0.556 18393
6488 1 17 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.163 0.530 18393
6489 1 17 . 1 1 46 46 ILE C C 60 176.175 176.175 176.699 -0.524 18393
6490 1 17 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.320 -0.544 18393
6491 1 17 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.084 0.262 18393
6492 1 17 . 1 1 46 46 ILE H H 60 8.735 8.735 8.260 0.475 18393
6493 1 17 . 1 1 47 47 GLY N N 61 112.366 112.366 117.058 -4.692 18393
6494 1 17 . 1 1 47 47 GLY C C 61 171.844 171.844 173.509 -1.665 18393
6495 1 17 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.138 0.145 18393
6496 1 17 . 1 1 47 47 GLY H H 61 8.610 8.610 8.728 -0.118 18393
6497 1 17 . 1 1 48 48 GLU N N 62 115.030 115.030 120.624 -5.594 18393
6498 1 17 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.681 -0.136 18393
6499 1 17 . 1 1 48 48 GLU C C 62 174.927 174.927 174.554 0.373 18393
6500 1 17 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.912 -0.030 18393
6501 1 17 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.173 0.176 18393
6502 1 17 . 1 1 48 48 GLU H H 62 8.214 8.214 8.056 0.158 18393
6503 1 17 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.430 0.434 18393
6504 1 17 . 1 1 49 49 PRO C C 63 178.286 178.286 176.059 2.227 18393
6505 1 17 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.568 -1.308 18393
6506 1 17 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.600 -0.333 18393
6507 1 17 . 1 1 50 50 MET N N 64 123.505 123.505 124.604 -1.099 18393
6508 1 17 . 1 1 50 50 MET HA H 64 5.530 5.530 4.918 0.612 18393
6509 1 17 . 1 1 50 50 MET C C 64 176.337 176.337 175.158 1.179 18393
6510 1 17 . 1 1 50 50 MET CA C 64 51.674 51.674 51.500 0.174 18393
6511 1 17 . 1 1 50 50 MET CB C 64 37.597 37.597 34.117 3.480 18393
6512 1 17 . 1 1 50 50 MET H H 64 9.267 9.267 8.791 0.476 18393
6513 1 17 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.379 0.707 18393
6514 1 17 . 1 1 51 51 PRO C C 65 174.862 174.862 175.867 -1.005 18393
6515 1 17 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.261 0.405 18393
6516 1 17 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.780 0.747 18393
6517 1 17 . 1 1 52 52 SER N N 66 109.598 109.598 111.711 -2.113 18393
6518 1 17 . 1 1 52 52 SER HA H 66 4.813 4.813 4.786 0.027 18393
6519 1 17 . 1 1 52 52 SER C C 66 173.368 173.368 174.926 -1.558 18393
6520 1 17 . 1 1 52 52 SER CA C 66 55.463 55.463 56.124 -0.661 18393
6521 1 17 . 1 1 52 52 SER CB C 66 66.775 66.775 65.216 1.559 18393
6522 1 17 . 1 1 52 52 SER H H 66 7.165 7.165 7.242 -0.077 18393
6523 1 17 . 1 1 53 53 VAL N N 67 124.347 124.347 127.565 -3.218 18393
6524 1 17 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.862 -1.032 18393
6525 1 17 . 1 1 53 53 VAL C C 67 177.116 177.116 177.141 -0.025 18393
6526 1 17 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.628 1.201 18393
6527 1 17 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.580 -0.256 18393
6528 1 17 . 1 1 53 53 VAL H H 67 8.522 8.522 8.867 -0.345 18393
6529 1 17 . 1 1 54 54 LYS N N 68 118.639 118.639 119.751 -1.112 18393
6530 1 17 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.017 -0.548 18393
6531 1 17 . 1 1 54 54 LYS C C 68 178.286 178.286 178.521 -0.235 18393
6532 1 17 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.581 0.769 18393
6533 1 17 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.236 0.128 18393
6534 1 17 . 1 1 54 54 LYS H H 68 8.098 8.098 7.785 0.313 18393
6535 1 17 . 1 1 55 55 LYS N N 69 115.388 115.388 119.270 -3.882 18393
6536 1 17 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.149 -0.055 18393
6537 1 17 . 1 1 55 55 LYS C C 69 179.694 179.694 178.690 1.004 18393
6538 1 17 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.807 0.021 18393
6539 1 17 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.374 0.465 18393
6540 1 17 . 1 1 55 55 LYS H H 69 7.499 7.499 7.486 0.013 18393
6541 1 17 . 1 1 56 56 ALA N N 70 124.226 124.226 123.837 0.389 18393
6542 1 17 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.194 -0.045 18393
6543 1 17 . 1 1 56 56 ALA C C 70 181.217 181.217 180.335 0.882 18393
6544 1 17 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.281 0.435 18393
6545 1 17 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.394 2.116 18393
6546 1 17 . 1 1 56 56 ALA H H 70 8.296 8.296 7.978 0.318 18393
6547 1 17 . 1 1 57 57 LYS N N 71 120.522 120.522 118.496 2.026 18393
6548 1 17 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.027 -0.384 18393
6549 1 17 . 1 1 57 57 LYS C C 71 177.937 177.937 178.863 -0.926 18393
6550 1 17 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.043 2.044 18393
6551 1 17 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.605 0.523 18393
6552 1 17 . 1 1 57 57 LYS H H 71 8.385 8.385 7.620 0.765 18393
6553 1 17 . 1 1 58 58 ASP N N 72 119.428 119.428 119.028 0.400 18393
6554 1 17 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.409 -0.103 18393
6555 1 17 . 1 1 58 58 ASP C C 72 177.042 177.042 178.776 -1.734 18393
6556 1 17 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.723 0.417 18393
6557 1 17 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.965 -0.840 18393
6558 1 17 . 1 1 58 58 ASP H H 72 8.029 8.029 7.866 0.163 18393
6559 1 17 . 1 1 59 59 SER N N 73 111.435 111.435 115.467 -4.032 18393
6560 1 17 . 1 1 59 59 SER HA H 73 4.243 4.243 4.188 0.055 18393
6561 1 17 . 1 1 59 59 SER C C 73 177.000 177.000 176.690 0.310 18393
6562 1 17 . 1 1 59 59 SER CA C 73 63.579 63.579 61.791 1.788 18393
6563 1 17 . 1 1 59 59 SER CB C 73 60.947 60.947 62.938 -1.991 18393
6564 1 17 . 1 1 59 59 SER H H 73 7.785 7.785 8.368 -0.583 18393
6565 1 17 . 1 1 60 60 ALA N N 74 120.363 120.363 124.565 -4.202 18393
6566 1 17 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.016 -0.053 18393
6567 1 17 . 1 1 60 60 ALA C C 74 178.170 178.170 179.418 -1.248 18393
6568 1 17 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.772 0.726 18393
6569 1 17 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.426 -0.515 18393
6570 1 17 . 1 1 60 60 ALA H H 74 7.472 7.472 7.745 -0.273 18393
6571 1 17 . 1 1 61 61 ALA N N 75 118.116 118.116 121.661 -3.545 18393
6572 1 17 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.088 -0.140 18393
6573 1 17 . 1 1 61 61 ALA C C 75 179.341 179.341 179.582 -0.241 18393
6574 1 17 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.133 0.527 18393
6575 1 17 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.339 0.603 18393
6576 1 17 . 1 1 61 61 ALA H H 75 8.653 8.653 8.380 0.273 18393
6577 1 17 . 1 1 62 62 VAL N N 76 115.858 115.858 117.952 -2.094 18393
6578 1 17 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.642 0.014 18393
6579 1 17 . 1 1 62 62 VAL C C 76 178.051 178.051 178.022 0.029 18393
6580 1 17 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.400 0.251 18393
6581 1 17 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.631 0.216 18393
6582 1 17 . 1 1 62 62 VAL H H 76 8.124 8.124 7.665 0.459 18393
6583 1 17 . 1 1 63 63 LEU N N 77 119.881 119.881 119.199 0.682 18393
6584 1 17 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.351 -0.162 18393
6585 1 17 . 1 1 63 63 LEU C C 77 179.692 179.692 179.471 0.221 18393
6586 1 17 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.949 0.635 18393
6587 1 17 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.737 0.179 18393
6588 1 17 . 1 1 63 63 LEU H H 77 7.038 7.038 7.545 -0.507 18393
6589 1 17 . 1 1 64 64 LEU N N 78 122.083 122.083 121.796 0.287 18393
6590 1 17 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.106 0.422 18393
6591 1 17 . 1 1 64 64 LEU C C 78 178.601 178.601 178.449 0.152 18393
6592 1 17 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.874 -0.416 18393
6593 1 17 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.010 -0.756 18393
6594 1 17 . 1 1 64 64 LEU H H 78 7.694 7.694 7.846 -0.152 18393
6595 1 17 . 1 1 65 65 LEU N N 79 120.548 120.548 118.230 2.318 18393
6596 1 17 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.024 -0.160 18393
6597 1 17 . 1 1 65 65 LEU C C 79 178.861 178.861 179.128 -0.267 18393
6598 1 17 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.008 0.469 18393
6599 1 17 . 1 1 65 65 LEU CB C 79 41.618 41.618 40.877 0.741 18393
6600 1 17 . 1 1 65 65 LEU H H 79 8.671 8.671 8.610 0.061 18393
6601 1 17 . 1 1 66 66 GLU N N 80 117.398 117.398 117.787 -0.389 18393
6602 1 17 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.119 -0.060 18393
6603 1 17 . 1 1 66 66 GLU C C 80 178.957 178.957 178.655 0.302 18393
6604 1 17 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.755 0.581 18393
6605 1 17 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.830 -0.449 18393
6606 1 17 . 1 1 66 66 GLU H H 80 7.613 7.613 7.490 0.123 18393
6607 1 17 . 1 1 67 67 LEU N N 81 120.633 120.633 120.964 -0.331 18393
6608 1 17 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.081 0.079 18393
6609 1 17 . 1 1 67 67 LEU C C 81 180.162 180.162 179.389 0.773 18393
6610 1 17 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.975 0.138 18393
6611 1 17 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.300 -0.243 18393
6612 1 17 . 1 1 67 67 LEU H H 81 7.656 7.656 7.813 -0.157 18393
6613 1 17 . 1 1 68 68 LEU N N 82 118.949 118.949 118.414 0.535 18393
6614 1 17 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.223 -0.060 18393
6615 1 17 . 1 1 68 68 LEU C C 82 178.289 178.289 178.441 -0.152 18393
6616 1 17 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.293 0.562 18393
6617 1 17 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.221 0.797 18393
6618 1 17 . 1 1 68 68 LEU H H 82 8.583 8.583 8.626 -0.043 18393
6619 1 17 . 1 1 69 69 ASN N N 83 116.570 116.570 115.535 1.035 18393
6620 1 17 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.740 -0.011 18393
6621 1 17 . 1 1 69 69 ASN C C 83 174.784 174.784 175.487 -0.703 18393
6622 1 17 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.979 -0.240 18393
6623 1 17 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.163 -0.015 18393
6624 1 17 . 1 1 69 69 ASN H H 83 7.920 7.920 7.570 0.350 18393
6625 1 17 . 1 1 70 70 LYS N N 84 120.363 120.363 119.590 0.773 18393
6626 1 17 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.610 -0.206 18393
6627 1 17 . 1 1 70 70 LYS C C 84 175.910 175.910 174.553 1.357 18393
6628 1 17 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.625 1.211 18393
6629 1 17 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.552 0.447 18393
6630 1 17 . 1 1 70 70 LYS H H 84 7.593 7.593 7.691 -0.098 18393
6631 1 18 . 1 1 2 2 ASP N N 16 119.381 119.381 122.376 -2.995 18393
6632 1 18 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.559 -0.219 18393
6633 1 18 . 1 1 2 2 ASP C C 16 178.935 178.935 178.236 0.699 18393
6634 1 18 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.016 0.692 18393
6635 1 18 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.587 0.094 18393
6636 1 18 . 1 1 2 2 ASP H H 16 8.320 8.320 8.685 -0.365 18393
6637 1 18 . 1 1 3 3 ILE N N 17 121.475 121.475 119.713 1.762 18393
6638 1 18 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.771 -0.225 18393
6639 1 18 . 1 1 3 3 ILE C C 17 177.116 177.116 177.992 -0.876 18393
6640 1 18 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.545 0.688 18393
6641 1 18 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.667 0.034 18393
6642 1 18 . 1 1 3 3 ILE H H 17 7.793 7.793 8.303 -0.510 18393
6643 1 18 . 1 1 4 4 CYS N N 18 117.506 117.506 117.895 -0.389 18393
6644 1 18 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.469 -0.527 18393
6645 1 18 . 1 1 4 4 CYS C C 18 176.671 176.671 176.934 -0.263 18393
6646 1 18 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.276 2.348 18393
6647 1 18 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.788 -0.823 18393
6648 1 18 . 1 1 4 4 CYS H H 18 7.823 7.823 7.808 0.015 18393
6649 1 18 . 1 1 5 5 LEU N N 19 118.832 118.832 122.795 -3.963 18393
6650 1 18 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.143 -0.047 18393
6651 1 18 . 1 1 5 5 LEU C C 19 180.698 180.698 179.416 1.282 18393
6652 1 18 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.867 0.070 18393
6653 1 18 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.897 0.169 18393
6654 1 18 . 1 1 5 5 LEU H H 19 8.101 8.101 8.591 -0.490 18393
6655 1 18 . 1 1 6 6 ARG N N 20 119.443 119.443 120.140 -0.697 18393
6656 1 18 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.954 -0.020 18393
6657 1 18 . 1 1 6 6 ARG C C 20 178.169 178.169 177.860 0.309 18393
6658 1 18 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.813 0.062 18393
6659 1 18 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.149 -0.169 18393
6660 1 18 . 1 1 6 6 ARG H H 20 7.934 7.934 8.391 -0.457 18393
6661 1 18 . 1 1 7 7 LYS N N 21 116.636 116.636 116.356 0.280 18393
6662 1 18 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.887 -0.114 18393
6663 1 18 . 1 1 7 7 LYS C C 21 175.224 175.224 175.671 -0.447 18393
6664 1 18 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.090 -0.013 18393
6665 1 18 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.854 -0.337 18393
6666 1 18 . 1 1 7 7 LYS H H 21 7.553 7.553 7.420 0.133 18393
6667 1 18 . 1 1 8 8 ASN N N 22 114.898 114.898 115.243 -0.345 18393
6668 1 18 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.396 -0.094 18393
6669 1 18 . 1 1 8 8 ASN C C 22 174.073 174.073 174.512 -0.439 18393
6670 1 18 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.311 0.122 18393
6671 1 18 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.432 -0.415 18393
6672 1 18 . 1 1 8 8 ASN H H 22 7.640 7.640 7.733 -0.093 18393
6673 1 18 . 1 1 9 9 TRP N N 23 120.563 120.563 120.209 0.354 18393
6674 1 18 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.114 0.127 18393
6675 1 18 . 1 1 9 9 TRP C C 23 173.601 173.601 174.988 -1.387 18393
6676 1 18 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.433 -2.613 18393
6677 1 18 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.456 1.119 18393
6678 1 18 . 1 1 9 9 TRP H H 23 8.692 8.692 7.939 0.753 18393
6679 1 18 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.448 0.011 18393
6680 1 18 . 1 1 10 10 PRO C C 24 175.391 175.391 176.511 -1.120 18393
6681 1 18 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.491 -0.393 18393
6682 1 18 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.447 -0.865 18393
6683 1 18 . 1 1 11 11 MET N N 25 116.562 116.562 119.080 -2.518 18393
6684 1 18 . 1 1 11 11 MET HA H 25 4.751 4.751 4.719 0.032 18393
6685 1 18 . 1 1 11 11 MET C C 25 175.240 175.240 175.370 -0.130 18393
6686 1 18 . 1 1 11 11 MET CA C 25 53.800 53.800 52.954 0.846 18393
6687 1 18 . 1 1 11 11 MET CB C 25 30.695 30.695 30.806 -0.111 18393
6688 1 18 . 1 1 11 11 MET H H 25 8.201 8.201 8.405 -0.204 18393
6689 1 18 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.556 -0.232 18393
6690 1 18 . 1 1 12 12 PRO C C 26 174.890 174.890 176.294 -1.404 18393
6691 1 18 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.684 0.797 18393
6692 1 18 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.635 0.090 18393
6693 1 18 . 1 1 13 13 SER N N 27 116.608 116.608 115.840 0.768 18393
6694 1 18 . 1 1 13 13 SER HA H 27 4.781 4.781 4.699 0.082 18393
6695 1 18 . 1 1 13 13 SER C C 27 173.365 173.365 173.485 -0.120 18393
6696 1 18 . 1 1 13 13 SER CA C 27 57.219 57.219 58.112 -0.893 18393
6697 1 18 . 1 1 13 13 SER CB C 27 64.227 64.227 64.138 0.089 18393
6698 1 18 . 1 1 13 13 SER H H 27 8.555 8.555 8.477 0.078 18393
6699 1 18 . 1 1 14 14 TYR N N 28 125.256 125.256 122.704 2.552 18393
6700 1 18 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.130 0.491 18393
6701 1 18 . 1 1 14 14 TYR C C 28 176.175 176.175 174.724 1.451 18393
6702 1 18 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.862 -0.299 18393
6703 1 18 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.911 0.950 18393
6704 1 18 . 1 1 14 14 TYR H H 28 8.939 8.939 8.580 0.359 18393
6705 1 18 . 1 1 15 15 ARG N N 29 120.540 120.540 126.238 -5.698 18393
6706 1 18 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.696 -0.154 18393
6707 1 18 . 1 1 15 15 ARG C C 29 173.134 173.134 174.370 -1.236 18393
6708 1 18 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.340 -0.520 18393
6709 1 18 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.327 0.394 18393
6710 1 18 . 1 1 15 15 ARG H H 29 9.159 9.159 9.428 -0.269 18393
6711 1 18 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.798 -1.901 18393
6712 1 18 . 1 1 16 16 CYS C C 30 174.180 174.180 175.072 -0.892 18393
6713 1 18 . 1 1 16 16 CYS CA C 30 58.719 58.719 58.722 -0.003 18393
6714 1 18 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.842 -1.736 18393
6715 1 18 . 1 1 17 17 VAL N N 31 132.259 132.259 123.803 8.456 18393
6716 1 18 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.032 -0.381 18393
6717 1 18 . 1 1 17 17 VAL C C 31 175.711 175.711 175.811 -0.100 18393
6718 1 18 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.136 -0.050 18393
6719 1 18 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.149 0.363 18393
6720 1 18 . 1 1 17 17 VAL H H 31 8.659 8.659 8.644 0.015 18393
6721 1 18 . 1 1 18 18 LYS N N 32 118.630 118.630 120.660 -2.030 18393
6722 1 18 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.582 -0.222 18393
6723 1 18 . 1 1 18 18 LYS C C 32 173.015 173.015 173.963 -0.948 18393
6724 1 18 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.848 0.554 18393
6725 1 18 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.286 0.718 18393
6726 1 18 . 1 1 18 18 LYS H H 32 7.673 7.673 8.194 -0.521 18393
6727 1 18 . 1 1 19 19 GLU N N 33 125.800 125.800 126.660 -0.860 18393
6728 1 18 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.753 0.100 18393
6729 1 18 . 1 1 19 19 GLU C C 33 175.060 175.060 175.712 -0.652 18393
6730 1 18 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.079 -1.515 18393
6731 1 18 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.753 -0.616 18393
6732 1 18 . 1 1 19 19 GLU H H 33 8.431 8.431 8.685 -0.254 18393
6733 1 18 . 1 1 20 20 GLY N N 34 111.079 111.079 112.232 -1.153 18393
6734 1 18 . 1 1 20 20 GLY C C 34 172.318 172.318 173.260 -0.942 18393
6735 1 18 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.030 -0.389 18393
6736 1 18 . 1 1 20 20 GLY H H 34 8.345 8.345 8.122 0.223 18393
6737 1 18 . 1 1 21 21 GLY N N 35 107.395 107.395 108.405 -1.010 18393
6738 1 18 . 1 1 21 21 GLY C C 35 171.757 171.757 172.796 -1.039 18393
6739 1 18 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.934 -1.197 18393
6740 1 18 . 1 1 21 21 GLY H H 35 8.184 8.184 8.251 -0.067 18393
6741 1 18 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.276 0.200 18393
6742 1 18 . 1 1 22 22 PRO C C 36 177.171 177.171 176.354 0.817 18393
6743 1 18 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.427 -2.164 18393
6744 1 18 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.053 0.208 18393
6745 1 18 . 1 1 23 23 ALA N N 37 120.595 120.595 115.068 5.527 18393
6746 1 18 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.258 -0.435 18393
6747 1 18 . 1 1 23 23 ALA C C 37 178.547 178.547 177.221 1.326 18393
6748 1 18 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.211 3.282 18393
6749 1 18 . 1 1 23 23 ALA CB C 37 18.551 18.551 19.024 -0.473 18393
6750 1 18 . 1 1 23 23 ALA H H 37 8.580 8.580 7.514 1.066 18393
6751 1 18 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.604 0.011 18393
6752 1 18 . 1 1 24 24 HIS C C 38 174.890 174.890 174.407 0.483 18393
6753 1 18 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.476 -0.615 18393
6754 1 18 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.264 1.096 18393
6755 1 18 . 1 1 25 25 ALA N N 39 128.271 128.271 122.832 5.439 18393
6756 1 18 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.517 -0.043 18393
6757 1 18 . 1 1 25 25 ALA C C 39 174.351 174.351 176.367 -2.016 18393
6758 1 18 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.722 -0.406 18393
6759 1 18 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.559 -1.448 18393
6760 1 18 . 1 1 25 25 ALA H H 39 7.697 7.697 7.770 -0.073 18393
6761 1 18 . 1 1 26 26 LYS N N 40 121.927 121.927 119.630 2.297 18393
6762 1 18 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.251 -0.133 18393
6763 1 18 . 1 1 26 26 LYS C C 40 177.551 177.551 175.052 2.499 18393
6764 1 18 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.473 1.671 18393
6765 1 18 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.403 0.669 18393
6766 1 18 . 1 1 26 26 LYS H H 40 7.990 7.990 7.797 0.193 18393
6767 1 18 . 1 1 27 27 ARG N N 41 119.572 119.572 118.913 0.659 18393
6768 1 18 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.089 0.549 18393
6769 1 18 . 1 1 27 27 ARG C C 41 174.770 174.770 175.726 -0.956 18393
6770 1 18 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.754 -2.276 18393
6771 1 18 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.791 2.599 18393
6772 1 18 . 1 1 27 27 ARG H H 41 8.296 8.296 7.483 0.813 18393
6773 1 18 . 1 1 28 28 PHE N N 42 120.381 120.381 124.041 -3.660 18393
6774 1 18 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.259 -0.212 18393
6775 1 18 . 1 1 28 28 PHE C C 42 174.407 174.407 175.809 -1.402 18393
6776 1 18 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.077 1.949 18393
6777 1 18 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.529 2.600 18393
6778 1 18 . 1 1 28 28 PHE H H 42 9.339 9.339 8.914 0.425 18393
6779 1 18 . 1 1 29 29 THR N N 43 117.999 117.999 119.043 -1.044 18393
6780 1 18 . 1 1 29 29 THR HA H 43 4.704 4.704 4.821 -0.117 18393
6781 1 18 . 1 1 29 29 THR C C 43 173.713 173.713 173.055 0.658 18393
6782 1 18 . 1 1 29 29 THR CA C 43 62.117 62.117 61.976 0.141 18393
6783 1 18 . 1 1 29 29 THR CB C 43 70.104 70.104 70.469 -0.365 18393
6784 1 18 . 1 1 29 29 THR H H 43 8.949 8.949 9.100 -0.151 18393
6785 1 18 . 1 1 30 30 PHE N N 44 129.592 129.592 126.963 2.629 18393
6786 1 18 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.992 0.403 18393
6787 1 18 . 1 1 30 30 PHE C C 44 173.221 173.221 172.768 0.453 18393
6788 1 18 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.908 0.515 18393
6789 1 18 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.643 1.274 18393
6790 1 18 . 1 1 30 30 PHE H H 44 10.048 10.048 8.839 1.209 18393
6791 1 18 . 1 1 31 31 GLY N N 45 105.921 105.921 109.059 -3.138 18393
6792 1 18 . 1 1 31 31 GLY C C 45 172.774 172.774 171.469 1.305 18393
6793 1 18 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.392 0.146 18393
6794 1 18 . 1 1 31 31 GLY H H 45 9.290 9.290 7.737 1.553 18393
6795 1 18 . 1 1 32 32 VAL N N 46 121.311 121.311 121.269 0.042 18393
6796 1 18 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.622 0.728 18393
6797 1 18 . 1 1 32 32 VAL C C 46 171.140 171.140 174.774 -3.634 18393
6798 1 18 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.728 -0.896 18393
6799 1 18 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.309 2.078 18393
6800 1 18 . 1 1 32 32 VAL H H 46 8.906 8.906 7.937 0.969 18393
6801 1 18 . 1 1 33 33 ARG N N 47 122.102 122.102 120.544 1.558 18393
6802 1 18 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.158 -0.587 18393
6803 1 18 . 1 1 33 33 ARG C C 47 173.683 173.683 174.477 -0.794 18393
6804 1 18 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.608 0.350 18393
6805 1 18 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.711 2.005 18393
6806 1 18 . 1 1 33 33 ARG H H 47 8.008 8.008 7.799 0.209 18393
6807 1 18 . 1 1 34 34 VAL N N 48 117.391 117.391 121.315 -3.924 18393
6808 1 18 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.548 0.239 18393
6809 1 18 . 1 1 34 34 VAL C C 48 172.777 172.777 174.057 -1.280 18393
6810 1 18 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.057 -0.087 18393
6811 1 18 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.166 0.146 18393
6812 1 18 . 1 1 34 34 VAL H H 48 8.103 8.103 9.220 -1.117 18393
6813 1 18 . 1 1 35 35 ASN N N 49 127.065 127.065 121.019 6.046 18393
6814 1 18 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.470 -0.934 18393
6815 1 18 . 1 1 35 35 ASN C C 49 174.221 174.221 174.326 -0.105 18393
6816 1 18 . 1 1 35 35 ASN CA C 49 50.607 50.607 52.089 -1.482 18393
6817 1 18 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.793 -3.051 18393
6818 1 18 . 1 1 35 35 ASN H H 49 8.543 8.543 8.633 -0.090 18393
6819 1 18 . 1 1 36 36 THR N N 50 114.402 114.402 116.520 -2.118 18393
6820 1 18 . 1 1 36 36 THR HA H 50 2.159 2.159 3.187 -1.028 18393
6821 1 18 . 1 1 36 36 THR C C 50 175.168 175.168 175.013 0.155 18393
6822 1 18 . 1 1 36 36 THR CA C 50 61.126 61.126 61.202 -0.076 18393
6823 1 18 . 1 1 36 36 THR CB C 50 69.987 69.987 68.620 1.367 18393
6824 1 18 . 1 1 36 36 THR H H 50 6.801 6.801 7.950 -1.149 18393
6825 1 18 . 1 1 37 37 SER N N 51 114.587 114.587 121.042 -6.455 18393
6826 1 18 . 1 1 37 37 SER HA H 51 4.105 4.105 3.960 0.145 18393
6827 1 18 . 1 1 37 37 SER C C 51 174.760 174.760 175.191 -0.431 18393
6828 1 18 . 1 1 37 37 SER CA C 51 59.958 59.958 61.481 -1.523 18393
6829 1 18 . 1 1 37 37 SER CB C 51 63.115 63.115 63.230 -0.115 18393
6830 1 18 . 1 1 37 37 SER H H 51 6.797 6.797 8.477 -1.680 18393
6831 1 18 . 1 1 38 38 ASP N N 52 117.329 117.329 118.107 -0.778 18393
6832 1 18 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.484 0.105 18393
6833 1 18 . 1 1 38 38 ASP C C 52 177.236 177.236 176.993 0.243 18393
6834 1 18 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.911 -0.361 18393
6835 1 18 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.799 -0.193 18393
6836 1 18 . 1 1 38 38 ASP H H 52 8.784 8.784 8.219 0.565 18393
6837 1 18 . 1 1 39 39 ARG N N 53 118.330 118.330 120.370 -2.040 18393
6838 1 18 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.400 0.096 18393
6839 1 18 . 1 1 39 39 ARG C C 53 176.062 176.062 176.438 -0.376 18393
6840 1 18 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.004 -0.954 18393
6841 1 18 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.208 -1.767 18393
6842 1 18 . 1 1 39 39 ARG H H 53 7.666 7.666 8.076 -0.410 18393
6843 1 18 . 1 1 40 40 GLY N N 54 110.510 110.510 107.530 2.980 18393
6844 1 18 . 1 1 40 40 GLY C C 54 177.680 177.680 172.598 5.082 18393
6845 1 18 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.175 0.502 18393
6846 1 18 . 1 1 40 40 GLY H H 54 7.248 7.248 7.961 -0.713 18393
6847 1 18 . 1 1 41 41 TRP N N 55 123.328 123.328 123.416 -0.088 18393
6848 1 18 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.764 0.155 18393
6849 1 18 . 1 1 41 41 TRP C C 55 178.873 178.873 177.382 1.491 18393
6850 1 18 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.262 0.855 18393
6851 1 18 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.481 0.293 18393
6852 1 18 . 1 1 41 41 TRP H H 55 8.289 8.289 8.236 0.053 18393
6853 1 18 . 1 1 42 42 THR N N 56 114.627 114.627 118.081 -3.454 18393
6854 1 18 . 1 1 42 42 THR HA H 56 4.329 4.329 4.276 0.053 18393
6855 1 18 . 1 1 42 42 THR C C 56 175.261 175.261 174.632 0.629 18393
6856 1 18 . 1 1 42 42 THR CA C 56 61.698 61.698 61.631 0.067 18393
6857 1 18 . 1 1 42 42 THR CB C 56 72.359 72.359 69.926 2.433 18393
6858 1 18 . 1 1 42 42 THR H H 56 8.972 8.972 8.548 0.424 18393
6859 1 18 . 1 1 43 43 ASP N N 57 120.151 120.151 120.642 -0.491 18393
6860 1 18 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.368 0.077 18393
6861 1 18 . 1 1 43 43 ASP C C 57 175.710 175.710 176.443 -0.733 18393
6862 1 18 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.217 1.160 18393
6863 1 18 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.953 -0.081 18393
6864 1 18 . 1 1 43 43 ASP H H 57 8.379 8.379 8.357 0.022 18393
6865 1 18 . 1 1 44 44 GLU N N 58 122.449 122.449 123.613 -1.164 18393
6866 1 18 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.491 -0.026 18393
6867 1 18 . 1 1 44 44 GLU C C 58 176.412 176.412 176.680 -0.268 18393
6868 1 18 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.831 -1.360 18393
6869 1 18 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.979 1.079 18393
6870 1 18 . 1 1 44 44 GLU H H 58 8.581 8.581 8.507 0.074 18393
6871 1 18 . 1 1 45 45 CYS N N 59 126.725 126.725 127.099 -0.374 18393
6872 1 18 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.508 0.187 18393
6873 1 18 . 1 1 45 45 CYS C C 59 173.364 173.364 174.136 -0.772 18393
6874 1 18 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.788 1.132 18393
6875 1 18 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.245 3.439 18393
6876 1 18 . 1 1 45 45 CYS H H 59 8.671 8.671 8.920 -0.249 18393
6877 1 18 . 1 1 46 46 ILE N N 60 126.614 126.614 127.122 -0.508 18393
6878 1 18 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.192 0.501 18393
6879 1 18 . 1 1 46 46 ILE C C 60 176.175 176.175 176.727 -0.552 18393
6880 1 18 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.093 -0.317 18393
6881 1 18 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.211 0.135 18393
6882 1 18 . 1 1 46 46 ILE H H 60 8.735 8.735 8.170 0.565 18393
6883 1 18 . 1 1 47 47 GLY N N 61 112.366 112.366 116.858 -4.492 18393
6884 1 18 . 1 1 47 47 GLY C C 61 171.844 171.844 173.532 -1.688 18393
6885 1 18 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.129 0.154 18393
6886 1 18 . 1 1 47 47 GLY H H 61 8.610 8.610 8.780 -0.170 18393
6887 1 18 . 1 1 48 48 GLU N N 62 115.030 115.030 120.189 -5.159 18393
6888 1 18 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.629 -0.084 18393
6889 1 18 . 1 1 48 48 GLU C C 62 174.927 174.927 174.571 0.356 18393
6890 1 18 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.087 -0.204 18393
6891 1 18 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.100 0.249 18393
6892 1 18 . 1 1 48 48 GLU H H 62 8.214 8.214 7.996 0.218 18393
6893 1 18 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.412 0.452 18393
6894 1 18 . 1 1 49 49 PRO C C 63 178.286 178.286 176.122 2.164 18393
6895 1 18 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.748 -1.488 18393
6896 1 18 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.614 -0.347 18393
6897 1 18 . 1 1 50 50 MET N N 64 123.505 123.505 125.122 -1.617 18393
6898 1 18 . 1 1 50 50 MET HA H 64 5.530 5.530 4.939 0.591 18393
6899 1 18 . 1 1 50 50 MET C C 64 176.337 176.337 174.976 1.361 18393
6900 1 18 . 1 1 50 50 MET CA C 64 51.674 51.674 51.509 0.165 18393
6901 1 18 . 1 1 50 50 MET CB C 64 37.597 37.597 33.968 3.629 18393
6902 1 18 . 1 1 50 50 MET H H 64 9.267 9.267 8.823 0.444 18393
6903 1 18 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.352 0.734 18393
6904 1 18 . 1 1 51 51 PRO C C 65 174.862 174.862 175.404 -0.542 18393
6905 1 18 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.075 0.591 18393
6906 1 18 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.682 0.845 18393
6907 1 18 . 1 1 52 52 SER N N 66 109.598 109.598 113.191 -3.593 18393
6908 1 18 . 1 1 52 52 SER HA H 66 4.813 4.813 4.956 -0.143 18393
6909 1 18 . 1 1 52 52 SER C C 66 173.368 173.368 174.531 -1.163 18393
6910 1 18 . 1 1 52 52 SER CA C 66 55.463 55.463 56.968 -1.505 18393
6911 1 18 . 1 1 52 52 SER CB C 66 66.775 66.775 66.740 0.035 18393
6912 1 18 . 1 1 52 52 SER H H 66 7.165 7.165 7.337 -0.172 18393
6913 1 18 . 1 1 53 53 VAL N N 67 124.347 124.347 123.496 0.851 18393
6914 1 18 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.930 -1.100 18393
6915 1 18 . 1 1 53 53 VAL C C 67 177.116 177.116 176.979 0.137 18393
6916 1 18 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.131 1.698 18393
6917 1 18 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.624 -0.300 18393
6918 1 18 . 1 1 53 53 VAL H H 67 8.522 8.522 8.807 -0.285 18393
6919 1 18 . 1 1 54 54 LYS N N 68 118.639 118.639 119.881 -1.242 18393
6920 1 18 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.044 -0.575 18393
6921 1 18 . 1 1 54 54 LYS C C 68 178.286 178.286 178.539 -0.253 18393
6922 1 18 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.761 0.589 18393
6923 1 18 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.915 0.449 18393
6924 1 18 . 1 1 54 54 LYS H H 68 8.098 8.098 8.606 -0.508 18393
6925 1 18 . 1 1 55 55 LYS N N 69 115.388 115.388 118.475 -3.087 18393
6926 1 18 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.326 -0.232 18393
6927 1 18 . 1 1 55 55 LYS C C 69 179.694 179.694 178.560 1.134 18393
6928 1 18 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.338 0.490 18393
6929 1 18 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.096 0.743 18393
6930 1 18 . 1 1 55 55 LYS H H 69 7.499 7.499 7.603 -0.104 18393
6931 1 18 . 1 1 56 56 ALA N N 70 124.226 124.226 124.201 0.025 18393
6932 1 18 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.244 -0.095 18393
6933 1 18 . 1 1 56 56 ALA C C 70 181.217 181.217 180.272 0.945 18393
6934 1 18 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.054 0.662 18393
6935 1 18 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.442 2.068 18393
6936 1 18 . 1 1 56 56 ALA H H 70 8.296 8.296 7.996 0.300 18393
6937 1 18 . 1 1 57 57 LYS N N 71 120.522 120.522 118.764 1.758 18393
6938 1 18 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.173 -0.530 18393
6939 1 18 . 1 1 57 57 LYS C C 71 177.937 177.937 178.761 -0.824 18393
6940 1 18 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.512 1.575 18393
6941 1 18 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.519 0.609 18393
6942 1 18 . 1 1 57 57 LYS H H 71 8.385 8.385 7.663 0.722 18393
6943 1 18 . 1 1 58 58 ASP N N 72 119.428 119.428 118.621 0.807 18393
6944 1 18 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.379 -0.073 18393
6945 1 18 . 1 1 58 58 ASP C C 72 177.042 177.042 178.289 -1.247 18393
6946 1 18 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.840 0.300 18393
6947 1 18 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.849 -0.724 18393
6948 1 18 . 1 1 58 58 ASP H H 72 8.029 8.029 7.948 0.081 18393
6949 1 18 . 1 1 59 59 SER N N 73 111.435 111.435 115.761 -4.326 18393
6950 1 18 . 1 1 59 59 SER HA H 73 4.243 4.243 4.216 0.027 18393
6951 1 18 . 1 1 59 59 SER C C 73 177.000 177.000 176.680 0.320 18393
6952 1 18 . 1 1 59 59 SER CA C 73 63.579 63.579 61.690 1.889 18393
6953 1 18 . 1 1 59 59 SER CB C 73 60.947 60.947 62.734 -1.787 18393
6954 1 18 . 1 1 59 59 SER H H 73 7.785 7.785 8.237 -0.452 18393
6955 1 18 . 1 1 60 60 ALA N N 74 120.363 120.363 124.981 -4.618 18393
6956 1 18 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.020 -0.057 18393
6957 1 18 . 1 1 60 60 ALA C C 74 178.170 178.170 179.337 -1.167 18393
6958 1 18 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.917 0.581 18393
6959 1 18 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.401 -0.490 18393
6960 1 18 . 1 1 60 60 ALA H H 74 7.472 7.472 7.884 -0.412 18393
6961 1 18 . 1 1 61 61 ALA N N 75 118.116 118.116 121.947 -3.831 18393
6962 1 18 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.085 -0.137 18393
6963 1 18 . 1 1 61 61 ALA C C 75 179.341 179.341 179.491 -0.150 18393
6964 1 18 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.377 0.283 18393
6965 1 18 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.465 0.477 18393
6966 1 18 . 1 1 61 61 ALA H H 75 8.653 8.653 8.790 -0.137 18393
6967 1 18 . 1 1 62 62 VAL N N 76 115.858 115.858 117.607 -1.749 18393
6968 1 18 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.768 -0.112 18393
6969 1 18 . 1 1 62 62 VAL C C 76 178.051 178.051 177.631 0.420 18393
6970 1 18 . 1 1 62 62 VAL CA C 76 66.651 66.651 65.140 1.511 18393
6971 1 18 . 1 1 62 62 VAL CB C 76 31.847 31.847 32.017 -0.170 18393
6972 1 18 . 1 1 62 62 VAL H H 76 8.124 8.124 7.956 0.168 18393
6973 1 18 . 1 1 63 63 LEU N N 77 119.881 119.881 119.653 0.228 18393
6974 1 18 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.097 0.092 18393
6975 1 18 . 1 1 63 63 LEU C C 77 179.692 179.692 178.939 0.753 18393
6976 1 18 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.219 0.365 18393
6977 1 18 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.834 0.082 18393
6978 1 18 . 1 1 63 63 LEU H H 77 7.038 7.038 7.257 -0.219 18393
6979 1 18 . 1 1 64 64 LEU N N 78 122.083 122.083 121.915 0.168 18393
6980 1 18 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.130 0.398 18393
6981 1 18 . 1 1 64 64 LEU C C 78 178.601 178.601 178.566 0.035 18393
6982 1 18 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.771 -0.313 18393
6983 1 18 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.934 -0.680 18393
6984 1 18 . 1 1 64 64 LEU H H 78 7.694 7.694 8.299 -0.605 18393
6985 1 18 . 1 1 65 65 LEU N N 79 120.548 120.548 118.619 1.929 18393
6986 1 18 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.998 -0.134 18393
6987 1 18 . 1 1 65 65 LEU C C 79 178.861 178.861 178.768 0.093 18393
6988 1 18 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.364 0.113 18393
6989 1 18 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.178 0.439 18393
6990 1 18 . 1 1 65 65 LEU H H 79 8.671 8.671 8.443 0.228 18393
6991 1 18 . 1 1 66 66 GLU N N 80 117.398 117.398 118.490 -1.092 18393
6992 1 18 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.097 -0.038 18393
6993 1 18 . 1 1 66 66 GLU C C 80 178.957 178.957 178.188 0.769 18393
6994 1 18 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.993 0.343 18393
6995 1 18 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.002 0.379 18393
6996 1 18 . 1 1 66 66 GLU H H 80 7.613 7.613 7.477 0.136 18393
6997 1 18 . 1 1 67 67 LEU N N 81 120.633 120.633 120.319 0.314 18393
6998 1 18 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.169 -0.009 18393
6999 1 18 . 1 1 67 67 LEU C C 81 180.162 180.162 178.994 1.168 18393
7000 1 18 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.660 0.453 18393
7001 1 18 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.230 -0.173 18393
7002 1 18 . 1 1 67 67 LEU H H 81 7.656 7.656 7.224 0.432 18393
7003 1 18 . 1 1 68 68 LEU N N 82 118.949 118.949 119.031 -0.082 18393
7004 1 18 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.216 -0.053 18393
7005 1 18 . 1 1 68 68 LEU C C 82 178.289 178.289 178.636 -0.347 18393
7006 1 18 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.035 0.820 18393
7007 1 18 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.004 1.014 18393
7008 1 18 . 1 1 68 68 LEU H H 82 8.583 8.583 8.617 -0.034 18393
7009 1 18 . 1 1 69 69 ASN N N 83 116.570 116.570 117.406 -0.836 18393
7010 1 18 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.696 0.033 18393
7011 1 18 . 1 1 69 69 ASN C C 83 174.784 174.784 175.384 -0.600 18393
7012 1 18 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.188 -0.449 18393
7013 1 18 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.866 0.282 18393
7014 1 18 . 1 1 69 69 ASN H H 83 7.920 7.920 7.943 -0.023 18393
7015 1 18 . 1 1 70 70 LYS N N 84 120.363 120.363 119.869 0.494 18393
7016 1 18 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.590 -0.186 18393
7017 1 18 . 1 1 70 70 LYS C C 84 175.910 175.910 175.164 0.746 18393
7018 1 18 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.591 1.245 18393
7019 1 18 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.806 0.193 18393
7020 1 18 . 1 1 70 70 LYS H H 84 7.593 7.593 7.911 -0.318 18393
7021 1 19 . 1 1 2 2 ASP N N 16 119.381 119.381 121.841 -2.460 18393
7022 1 19 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.494 -0.154 18393
7023 1 19 . 1 1 2 2 ASP C C 16 178.935 178.935 178.314 0.621 18393
7024 1 19 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.129 0.579 18393
7025 1 19 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.711 -0.030 18393
7026 1 19 . 1 1 2 2 ASP H H 16 8.320 8.320 8.522 -0.202 18393
7027 1 19 . 1 1 3 3 ILE N N 17 121.475 121.475 119.427 2.048 18393
7028 1 19 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.859 -0.313 18393
7029 1 19 . 1 1 3 3 ILE C C 17 177.116 177.116 177.720 -0.604 18393
7030 1 19 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.650 0.583 18393
7031 1 19 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.599 0.102 18393
7032 1 19 . 1 1 3 3 ILE H H 17 7.793 7.793 8.182 -0.389 18393
7033 1 19 . 1 1 4 4 CYS N N 18 117.506 117.506 118.760 -1.254 18393
7034 1 19 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.328 -0.386 18393
7035 1 19 . 1 1 4 4 CYS C C 18 176.671 176.671 176.741 -0.070 18393
7036 1 19 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.557 3.067 18393
7037 1 19 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.723 -0.758 18393
7038 1 19 . 1 1 4 4 CYS H H 18 7.823 7.823 7.814 0.009 18393
7039 1 19 . 1 1 5 5 LEU N N 19 118.832 118.832 122.113 -3.281 18393
7040 1 19 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.099 -0.003 18393
7041 1 19 . 1 1 5 5 LEU C C 19 180.698 180.698 179.234 1.464 18393
7042 1 19 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.988 -0.051 18393
7043 1 19 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.852 0.214 18393
7044 1 19 . 1 1 5 5 LEU H H 19 8.101 8.101 8.647 -0.546 18393
7045 1 19 . 1 1 6 6 ARG N N 20 119.443 119.443 119.987 -0.544 18393
7046 1 19 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.964 -0.030 18393
7047 1 19 . 1 1 6 6 ARG C C 20 178.169 178.169 177.809 0.360 18393
7048 1 19 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.694 0.181 18393
7049 1 19 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.117 -0.137 18393
7050 1 19 . 1 1 6 6 ARG H H 20 7.934 7.934 8.014 -0.080 18393
7051 1 19 . 1 1 7 7 LYS N N 21 116.636 116.636 115.754 0.882 18393
7052 1 19 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.862 -0.089 18393
7053 1 19 . 1 1 7 7 LYS C C 21 175.224 175.224 175.302 -0.078 18393
7054 1 19 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.476 -0.398 18393
7055 1 19 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.545 -0.028 18393
7056 1 19 . 1 1 7 7 LYS H H 21 7.553 7.553 7.442 0.111 18393
7057 1 19 . 1 1 8 8 ASN N N 22 114.898 114.898 113.869 1.029 18393
7058 1 19 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.378 -0.076 18393
7059 1 19 . 1 1 8 8 ASN C C 22 174.073 174.073 174.842 -0.769 18393
7060 1 19 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.063 0.370 18393
7061 1 19 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.024 -0.007 18393
7062 1 19 . 1 1 8 8 ASN H H 22 7.640 7.640 7.725 -0.085 18393
7063 1 19 . 1 1 9 9 TRP N N 23 120.563 120.563 119.909 0.654 18393
7064 1 19 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.043 0.198 18393
7065 1 19 . 1 1 9 9 TRP C C 23 173.601 173.601 175.222 -1.621 18393
7066 1 19 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.733 -2.913 18393
7067 1 19 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.382 1.192 18393
7068 1 19 . 1 1 9 9 TRP H H 23 8.692 8.692 7.497 1.195 18393
7069 1 19 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.439 0.020 18393
7070 1 19 . 1 1 10 10 PRO C C 24 175.391 175.391 176.066 -0.675 18393
7071 1 19 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.432 -0.334 18393
7072 1 19 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.596 -1.014 18393
7073 1 19 . 1 1 11 11 MET N N 25 116.562 116.562 118.180 -1.618 18393
7074 1 19 . 1 1 11 11 MET HA H 25 4.751 4.751 4.696 0.055 18393
7075 1 19 . 1 1 11 11 MET C C 25 175.240 175.240 175.276 -0.036 18393
7076 1 19 . 1 1 11 11 MET CA C 25 53.800 53.800 53.112 0.688 18393
7077 1 19 . 1 1 11 11 MET CB C 25 30.695 30.695 31.409 -0.714 18393
7078 1 19 . 1 1 11 11 MET H H 25 8.201 8.201 8.318 -0.117 18393
7079 1 19 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.672 -0.348 18393
7080 1 19 . 1 1 12 12 PRO C C 26 174.890 174.890 176.189 -1.299 18393
7081 1 19 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.749 0.732 18393
7082 1 19 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.712 0.013 18393
7083 1 19 . 1 1 13 13 SER N N 27 116.608 116.608 116.279 0.329 18393
7084 1 19 . 1 1 13 13 SER HA H 27 4.781 4.781 4.733 0.048 18393
7085 1 19 . 1 1 13 13 SER C C 27 173.365 173.365 173.451 -0.086 18393
7086 1 19 . 1 1 13 13 SER CA C 27 57.219 57.219 58.082 -0.863 18393
7087 1 19 . 1 1 13 13 SER CB C 27 64.227 64.227 64.106 0.121 18393
7088 1 19 . 1 1 13 13 SER H H 27 8.555 8.555 8.433 0.122 18393
7089 1 19 . 1 1 14 14 TYR N N 28 125.256 125.256 122.778 2.478 18393
7090 1 19 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.081 0.540 18393
7091 1 19 . 1 1 14 14 TYR C C 28 176.175 176.175 174.861 1.314 18393
7092 1 19 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.900 -0.337 18393
7093 1 19 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.734 1.127 18393
7094 1 19 . 1 1 14 14 TYR H H 28 8.939 8.939 8.658 0.281 18393
7095 1 19 . 1 1 15 15 ARG N N 29 120.540 120.540 124.669 -4.129 18393
7096 1 19 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.713 -0.171 18393
7097 1 19 . 1 1 15 15 ARG C C 29 173.134 173.134 175.301 -2.167 18393
7098 1 19 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.084 -0.264 18393
7099 1 19 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.324 0.397 18393
7100 1 19 . 1 1 15 15 ARG H H 29 9.159 9.159 8.997 0.162 18393
7101 1 19 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.525 -1.628 18393
7102 1 19 . 1 1 16 16 CYS C C 30 174.180 174.180 176.120 -1.940 18393
7103 1 19 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.419 -1.700 18393
7104 1 19 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.013 -1.907 18393
7105 1 19 . 1 1 17 17 VAL N N 31 132.259 132.259 122.058 10.201 18393
7106 1 19 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.247 -0.596 18393
7107 1 19 . 1 1 17 17 VAL C C 31 175.711 175.711 175.421 0.290 18393
7108 1 19 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.132 0.954 18393
7109 1 19 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.473 0.039 18393
7110 1 19 . 1 1 17 17 VAL H H 31 8.659 8.659 8.495 0.164 18393
7111 1 19 . 1 1 18 18 LYS N N 32 118.630 118.630 121.653 -3.023 18393
7112 1 19 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.588 -0.228 18393
7113 1 19 . 1 1 18 18 LYS C C 32 173.015 173.015 174.329 -1.314 18393
7114 1 19 . 1 1 18 18 LYS CA C 32 56.402 56.402 56.009 0.393 18393
7115 1 19 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.679 1.325 18393
7116 1 19 . 1 1 18 18 LYS H H 32 7.673 7.673 8.279 -0.606 18393
7117 1 19 . 1 1 19 19 GLU N N 33 125.800 125.800 124.346 1.454 18393
7118 1 19 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.501 0.352 18393
7119 1 19 . 1 1 19 19 GLU C C 33 175.060 175.060 175.919 -0.859 18393
7120 1 19 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.143 -0.579 18393
7121 1 19 . 1 1 19 19 GLU CB C 33 32.137 32.137 33.150 -1.013 18393
7122 1 19 . 1 1 19 19 GLU H H 33 8.431 8.431 8.402 0.029 18393
7123 1 19 . 1 1 20 20 GLY N N 34 111.079 111.079 110.906 0.173 18393
7124 1 19 . 1 1 20 20 GLY C C 34 172.318 172.318 173.462 -1.144 18393
7125 1 19 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.043 -0.402 18393
7126 1 19 . 1 1 20 20 GLY H H 34 8.345 8.345 8.098 0.247 18393
7127 1 19 . 1 1 21 21 GLY N N 35 107.395 107.395 107.059 0.336 18393
7128 1 19 . 1 1 21 21 GLY C C 35 171.757 171.757 172.884 -1.127 18393
7129 1 19 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.932 -1.195 18393
7130 1 19 . 1 1 21 21 GLY H H 35 8.184 8.184 7.860 0.324 18393
7131 1 19 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.243 0.233 18393
7132 1 19 . 1 1 22 22 PRO C C 36 177.171 177.171 176.332 0.839 18393
7133 1 19 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.553 -2.290 18393
7134 1 19 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.013 0.248 18393
7135 1 19 . 1 1 23 23 ALA N N 37 120.595 120.595 115.784 4.811 18393
7136 1 19 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.186 -0.363 18393
7137 1 19 . 1 1 23 23 ALA C C 37 178.547 178.547 176.588 1.959 18393
7138 1 19 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.045 3.448 18393
7139 1 19 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.847 -0.296 18393
7140 1 19 . 1 1 23 23 ALA H H 37 8.580 8.580 7.422 1.158 18393
7141 1 19 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.657 -0.042 18393
7142 1 19 . 1 1 24 24 HIS C C 38 174.890 174.890 174.273 0.617 18393
7143 1 19 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.263 -0.402 18393
7144 1 19 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.595 0.765 18393
7145 1 19 . 1 1 25 25 ALA N N 39 128.271 128.271 122.950 5.321 18393
7146 1 19 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.403 0.071 18393
7147 1 19 . 1 1 25 25 ALA C C 39 174.351 174.351 176.632 -2.281 18393
7148 1 19 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.299 0.017 18393
7149 1 19 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.103 -0.992 18393
7150 1 19 . 1 1 25 25 ALA H H 39 7.697 7.697 7.547 0.150 18393
7151 1 19 . 1 1 26 26 LYS N N 40 121.927 121.927 119.322 2.605 18393
7152 1 19 . 1 1 26 26 LYS HA H 40 4.118 4.118 3.954 0.164 18393
7153 1 19 . 1 1 26 26 LYS C C 40 177.551 177.551 175.711 1.840 18393
7154 1 19 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.298 0.846 18393
7155 1 19 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.144 0.928 18393
7156 1 19 . 1 1 26 26 LYS H H 40 7.990 7.990 8.307 -0.317 18393
7157 1 19 . 1 1 27 27 ARG N N 41 119.572 119.572 118.446 1.126 18393
7158 1 19 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.495 0.143 18393
7159 1 19 . 1 1 27 27 ARG C C 41 174.770 174.770 175.525 -0.755 18393
7160 1 19 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.846 -2.368 18393
7161 1 19 . 1 1 27 27 ARG CB C 41 33.390 33.390 31.180 2.210 18393
7162 1 19 . 1 1 27 27 ARG H H 41 8.296 8.296 7.407 0.889 18393
7163 1 19 . 1 1 28 28 PHE N N 42 120.381 120.381 122.920 -2.539 18393
7164 1 19 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.150 -0.103 18393
7165 1 19 . 1 1 28 28 PHE C C 42 174.407 174.407 175.812 -1.405 18393
7166 1 19 . 1 1 28 28 PHE CA C 42 57.026 57.026 56.841 0.185 18393
7167 1 19 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.659 1.470 18393
7168 1 19 . 1 1 28 28 PHE H H 42 9.339 9.339 9.353 -0.014 18393
7169 1 19 . 1 1 29 29 THR N N 43 117.999 117.999 118.879 -0.880 18393
7170 1 19 . 1 1 29 29 THR HA H 43 4.704 4.704 4.830 -0.126 18393
7171 1 19 . 1 1 29 29 THR C C 43 173.713 173.713 172.761 0.952 18393
7172 1 19 . 1 1 29 29 THR CA C 43 62.117 62.117 61.534 0.583 18393
7173 1 19 . 1 1 29 29 THR CB C 43 70.104 70.104 70.796 -0.692 18393
7174 1 19 . 1 1 29 29 THR H H 43 8.949 8.949 9.244 -0.295 18393
7175 1 19 . 1 1 30 30 PHE N N 44 129.592 129.592 126.280 3.312 18393
7176 1 19 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.996 0.399 18393
7177 1 19 . 1 1 30 30 PHE C C 44 173.221 173.221 172.711 0.510 18393
7178 1 19 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.457 -0.034 18393
7179 1 19 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.537 1.380 18393
7180 1 19 . 1 1 30 30 PHE H H 44 10.048 10.048 8.788 1.260 18393
7181 1 19 . 1 1 31 31 GLY N N 45 105.921 105.921 109.061 -3.140 18393
7182 1 19 . 1 1 31 31 GLY C C 45 172.774 172.774 171.729 1.045 18393
7183 1 19 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.338 0.200 18393
7184 1 19 . 1 1 31 31 GLY H H 45 9.290 9.290 7.810 1.480 18393
7185 1 19 . 1 1 32 32 VAL N N 46 121.311 121.311 120.725 0.586 18393
7186 1 19 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.631 0.719 18393
7187 1 19 . 1 1 32 32 VAL C C 46 171.140 171.140 174.766 -3.626 18393
7188 1 19 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.602 -0.770 18393
7189 1 19 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.368 2.019 18393
7190 1 19 . 1 1 32 32 VAL H H 46 8.906 8.906 7.893 1.013 18393
7191 1 19 . 1 1 33 33 ARG N N 47 122.102 122.102 119.506 2.596 18393
7192 1 19 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.258 -0.687 18393
7193 1 19 . 1 1 33 33 ARG C C 47 173.683 173.683 174.605 -0.922 18393
7194 1 19 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.475 0.483 18393
7195 1 19 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.973 1.743 18393
7196 1 19 . 1 1 33 33 ARG H H 47 8.008 8.008 7.856 0.152 18393
7197 1 19 . 1 1 34 34 VAL N N 48 117.391 117.391 120.264 -2.873 18393
7198 1 19 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.576 0.211 18393
7199 1 19 . 1 1 34 34 VAL C C 48 172.777 172.777 173.663 -0.886 18393
7200 1 19 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.230 -0.260 18393
7201 1 19 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.364 -0.052 18393
7202 1 19 . 1 1 34 34 VAL H H 48 8.103 8.103 9.093 -0.990 18393
7203 1 19 . 1 1 35 35 ASN N N 49 127.065 127.065 122.887 4.178 18393
7204 1 19 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.401 -0.865 18393
7205 1 19 . 1 1 35 35 ASN C C 49 174.221 174.221 173.918 0.303 18393
7206 1 19 . 1 1 35 35 ASN CA C 49 50.607 50.607 52.331 -1.724 18393
7207 1 19 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.481 -2.739 18393
7208 1 19 . 1 1 35 35 ASN H H 49 8.543 8.543 8.727 -0.184 18393
7209 1 19 . 1 1 36 36 THR N N 50 114.402 114.402 114.829 -0.427 18393
7210 1 19 . 1 1 36 36 THR HA H 50 2.159 2.159 2.669 -0.510 18393
7211 1 19 . 1 1 36 36 THR C C 50 175.168 175.168 175.217 -0.049 18393
7212 1 19 . 1 1 36 36 THR CA C 50 61.126 61.126 61.426 -0.300 18393
7213 1 19 . 1 1 36 36 THR CB C 50 69.987 69.987 68.773 1.214 18393
7214 1 19 . 1 1 36 36 THR H H 50 6.801 6.801 7.657 -0.856 18393
7215 1 19 . 1 1 37 37 SER N N 51 114.587 114.587 120.197 -5.610 18393
7216 1 19 . 1 1 37 37 SER HA H 51 4.105 4.105 4.004 0.101 18393
7217 1 19 . 1 1 37 37 SER C C 51 174.760 174.760 174.669 0.091 18393
7218 1 19 . 1 1 37 37 SER CA C 51 59.958 59.958 61.299 -1.341 18393
7219 1 19 . 1 1 37 37 SER CB C 51 63.115 63.115 63.234 -0.119 18393
7220 1 19 . 1 1 37 37 SER H H 51 6.797 6.797 8.185 -1.388 18393
7221 1 19 . 1 1 38 38 ASP N N 52 117.329 117.329 117.671 -0.342 18393
7222 1 19 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.544 0.045 18393
7223 1 19 . 1 1 38 38 ASP C C 52 177.236 177.236 176.850 0.386 18393
7224 1 19 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.672 -0.122 18393
7225 1 19 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.833 -0.227 18393
7226 1 19 . 1 1 38 38 ASP H H 52 8.784 8.784 8.031 0.753 18393
7227 1 19 . 1 1 39 39 ARG N N 53 118.330 118.330 119.368 -1.038 18393
7228 1 19 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.612 -0.116 18393
7229 1 19 . 1 1 39 39 ARG C C 53 176.062 176.062 175.860 0.202 18393
7230 1 19 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.903 -0.853 18393
7231 1 19 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.725 -2.284 18393
7232 1 19 . 1 1 39 39 ARG H H 53 7.666 7.666 8.077 -0.411 18393
7233 1 19 . 1 1 40 40 GLY N N 54 110.510 110.510 107.514 2.996 18393
7234 1 19 . 1 1 40 40 GLY C C 54 177.680 177.680 172.173 5.507 18393
7235 1 19 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.332 0.345 18393
7236 1 19 . 1 1 40 40 GLY H H 54 7.248 7.248 7.971 -0.723 18393
7237 1 19 . 1 1 41 41 TRP N N 55 123.328 123.328 123.509 -0.181 18393
7238 1 19 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.704 0.215 18393
7239 1 19 . 1 1 41 41 TRP C C 55 178.873 178.873 177.131 1.742 18393
7240 1 19 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.571 0.546 18393
7241 1 19 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.420 0.354 18393
7242 1 19 . 1 1 41 41 TRP H H 55 8.289 8.289 8.289 0.000 18393
7243 1 19 . 1 1 42 42 THR N N 56 114.627 114.627 117.173 -2.546 18393
7244 1 19 . 1 1 42 42 THR HA H 56 4.329 4.329 4.309 0.020 18393
7245 1 19 . 1 1 42 42 THR C C 56 175.261 175.261 174.616 0.645 18393
7246 1 19 . 1 1 42 42 THR CA C 56 61.698 61.698 61.438 0.260 18393
7247 1 19 . 1 1 42 42 THR CB C 56 72.359 72.359 69.764 2.595 18393
7248 1 19 . 1 1 42 42 THR H H 56 8.972 8.972 8.507 0.465 18393
7249 1 19 . 1 1 43 43 ASP N N 57 120.151 120.151 120.825 -0.674 18393
7250 1 19 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.384 0.061 18393
7251 1 19 . 1 1 43 43 ASP C C 57 175.710 175.710 176.500 -0.790 18393
7252 1 19 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.444 0.933 18393
7253 1 19 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.227 -0.355 18393
7254 1 19 . 1 1 43 43 ASP H H 57 8.379 8.379 8.357 0.022 18393
7255 1 19 . 1 1 44 44 GLU N N 58 122.449 122.449 123.477 -1.028 18393
7256 1 19 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.529 -0.064 18393
7257 1 19 . 1 1 44 44 GLU C C 58 176.412 176.412 176.526 -0.114 18393
7258 1 19 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.651 -1.180 18393
7259 1 19 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.934 1.124 18393
7260 1 19 . 1 1 44 44 GLU H H 58 8.581 8.581 8.547 0.034 18393
7261 1 19 . 1 1 45 45 CYS N N 59 126.725 126.725 127.361 -0.636 18393
7262 1 19 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.467 0.228 18393
7263 1 19 . 1 1 45 45 CYS C C 59 173.364 173.364 174.244 -0.880 18393
7264 1 19 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.957 0.963 18393
7265 1 19 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.800 3.884 18393
7266 1 19 . 1 1 45 45 CYS H H 59 8.671 8.671 8.830 -0.159 18393
7267 1 19 . 1 1 46 46 ILE N N 60 126.614 126.614 126.513 0.101 18393
7268 1 19 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.285 0.408 18393
7269 1 19 . 1 1 46 46 ILE C C 60 176.175 176.175 177.107 -0.932 18393
7270 1 19 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.314 0.462 18393
7271 1 19 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.773 0.573 18393
7272 1 19 . 1 1 46 46 ILE H H 60 8.735 8.735 7.988 0.747 18393
7273 1 19 . 1 1 47 47 GLY N N 61 112.366 112.366 116.928 -4.562 18393
7274 1 19 . 1 1 47 47 GLY C C 61 171.844 171.844 173.257 -1.413 18393
7275 1 19 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.352 -0.069 18393
7276 1 19 . 1 1 47 47 GLY H H 61 8.610 8.610 8.752 -0.141 18393
7277 1 19 . 1 1 48 48 GLU N N 62 115.030 115.030 118.629 -3.599 18393
7278 1 19 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.655 -0.110 18393
7279 1 19 . 1 1 48 48 GLU C C 62 174.927 174.927 174.671 0.256 18393
7280 1 19 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.643 0.239 18393
7281 1 19 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.293 1.056 18393
7282 1 19 . 1 1 48 48 GLU H H 62 8.214 8.214 7.890 0.324 18393
7283 1 19 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.443 0.421 18393
7284 1 19 . 1 1 49 49 PRO C C 63 178.286 178.286 175.896 2.390 18393
7285 1 19 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.755 -1.494 18393
7286 1 19 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.442 -0.175 18393
7287 1 19 . 1 1 50 50 MET N N 64 123.505 123.505 123.353 0.152 18393
7288 1 19 . 1 1 50 50 MET HA H 64 5.530 5.530 5.067 0.463 18393
7289 1 19 . 1 1 50 50 MET C C 64 176.337 176.337 174.859 1.478 18393
7290 1 19 . 1 1 50 50 MET CA C 64 51.674 51.674 51.184 0.490 18393
7291 1 19 . 1 1 50 50 MET CB C 64 37.597 37.597 34.440 3.158 18393
7292 1 19 . 1 1 50 50 MET H H 64 9.267 9.267 8.800 0.467 18393
7293 1 19 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.681 0.405 18393
7294 1 19 . 1 1 51 51 PRO C C 65 174.862 174.862 175.581 -0.719 18393
7295 1 19 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.566 0.100 18393
7296 1 19 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.568 0.959 18393
7297 1 19 . 1 1 52 52 SER N N 66 109.598 109.598 112.764 -3.166 18393
7298 1 19 . 1 1 52 52 SER HA H 66 4.813 4.813 4.645 0.168 18393
7299 1 19 . 1 1 52 52 SER C C 66 173.368 173.368 173.987 -0.619 18393
7300 1 19 . 1 1 52 52 SER CA C 66 55.463 55.463 56.913 -1.450 18393
7301 1 19 . 1 1 52 52 SER CB C 66 66.775 66.775 66.479 0.296 18393
7302 1 19 . 1 1 52 52 SER H H 66 7.165 7.165 7.383 -0.218 18393
7303 1 19 . 1 1 53 53 VAL N N 67 124.347 124.347 125.164 -0.817 18393
7304 1 19 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.119 -0.289 18393
7305 1 19 . 1 1 53 53 VAL C C 67 177.116 177.116 177.179 -0.063 18393
7306 1 19 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.773 1.056 18393
7307 1 19 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.384 -0.060 18393
7308 1 19 . 1 1 53 53 VAL H H 67 8.522 8.522 8.409 0.113 18393
7309 1 19 . 1 1 54 54 LYS N N 68 118.639 118.639 119.058 -0.419 18393
7310 1 19 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.971 -0.502 18393
7311 1 19 . 1 1 54 54 LYS C C 68 178.286 178.286 178.573 -0.287 18393
7312 1 19 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.910 0.440 18393
7313 1 19 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.893 0.471 18393
7314 1 19 . 1 1 54 54 LYS H H 68 8.098 8.098 8.431 -0.333 18393
7315 1 19 . 1 1 55 55 LYS N N 69 115.388 115.388 118.090 -2.702 18393
7316 1 19 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.291 -0.197 18393
7317 1 19 . 1 1 55 55 LYS C C 69 179.694 179.694 178.443 1.251 18393
7318 1 19 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.218 0.610 18393
7319 1 19 . 1 1 55 55 LYS CB C 69 32.839 32.839 31.954 0.885 18393
7320 1 19 . 1 1 55 55 LYS H H 69 7.499 7.499 7.636 -0.137 18393
7321 1 19 . 1 1 56 56 ALA N N 70 124.226 124.226 124.921 -0.695 18393
7322 1 19 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.183 -0.034 18393
7323 1 19 . 1 1 56 56 ALA C C 70 181.217 181.217 179.415 1.802 18393
7324 1 19 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.206 0.510 18393
7325 1 19 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.529 1.981 18393
7326 1 19 . 1 1 56 56 ALA H H 70 8.296 8.296 8.103 0.193 18393
7327 1 19 . 1 1 57 57 LYS N N 71 120.522 120.522 118.265 2.257 18393
7328 1 19 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.056 -0.413 18393
7329 1 19 . 1 1 57 57 LYS C C 71 177.937 177.937 178.909 -0.972 18393
7330 1 19 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.305 0.782 18393
7331 1 19 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.022 0.106 18393
7332 1 19 . 1 1 57 57 LYS H H 71 8.385 8.385 7.752 0.633 18393
7333 1 19 . 1 1 58 58 ASP N N 72 119.428 119.428 118.571 0.857 18393
7334 1 19 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.411 -0.105 18393
7335 1 19 . 1 1 58 58 ASP C C 72 177.042 177.042 178.382 -1.340 18393
7336 1 19 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.599 0.541 18393
7337 1 19 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.739 -0.614 18393
7338 1 19 . 1 1 58 58 ASP H H 72 8.029 8.029 8.023 0.006 18393
7339 1 19 . 1 1 59 59 SER N N 73 111.435 111.435 115.449 -4.014 18393
7340 1 19 . 1 1 59 59 SER HA H 73 4.243 4.243 4.169 0.074 18393
7341 1 19 . 1 1 59 59 SER C C 73 177.000 177.000 176.421 0.579 18393
7342 1 19 . 1 1 59 59 SER CA C 73 63.579 63.579 61.672 1.907 18393
7343 1 19 . 1 1 59 59 SER CB C 73 60.947 60.947 63.061 -2.114 18393
7344 1 19 . 1 1 59 59 SER H H 73 7.785 7.785 7.965 -0.180 18393
7345 1 19 . 1 1 60 60 ALA N N 74 120.363 120.363 123.641 -3.278 18393
7346 1 19 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.010 -0.047 18393
7347 1 19 . 1 1 60 60 ALA C C 74 178.170 178.170 179.374 -1.204 18393
7348 1 19 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.001 0.497 18393
7349 1 19 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.357 -0.446 18393
7350 1 19 . 1 1 60 60 ALA H H 74 7.472 7.472 7.756 -0.284 18393
7351 1 19 . 1 1 61 61 ALA N N 75 118.116 118.116 121.789 -3.673 18393
7352 1 19 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.104 -0.156 18393
7353 1 19 . 1 1 61 61 ALA C C 75 179.341 179.341 179.347 -0.006 18393
7354 1 19 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.321 0.339 18393
7355 1 19 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.469 0.473 18393
7356 1 19 . 1 1 61 61 ALA H H 75 8.653 8.653 8.733 -0.080 18393
7357 1 19 . 1 1 62 62 VAL N N 76 115.858 115.858 118.311 -2.453 18393
7358 1 19 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.817 -0.161 18393
7359 1 19 . 1 1 62 62 VAL C C 76 178.051 178.051 177.630 0.421 18393
7360 1 19 . 1 1 62 62 VAL CA C 76 66.651 66.651 65.323 1.328 18393
7361 1 19 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.535 0.312 18393
7362 1 19 . 1 1 62 62 VAL H H 76 8.124 8.124 8.151 -0.027 18393
7363 1 19 . 1 1 63 63 LEU N N 77 119.881 119.881 118.994 0.887 18393
7364 1 19 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.099 0.090 18393
7365 1 19 . 1 1 63 63 LEU C C 77 179.692 179.692 179.222 0.470 18393
7366 1 19 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.341 0.243 18393
7367 1 19 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.595 0.321 18393
7368 1 19 . 1 1 63 63 LEU H H 77 7.038 7.038 7.169 -0.131 18393
7369 1 19 . 1 1 64 64 LEU N N 78 122.083 122.083 122.075 0.008 18393
7370 1 19 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.136 0.392 18393
7371 1 19 . 1 1 64 64 LEU C C 78 178.601 178.601 178.565 0.036 18393
7372 1 19 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.877 -0.419 18393
7373 1 19 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.914 -0.660 18393
7374 1 19 . 1 1 64 64 LEU H H 78 7.694 7.694 8.166 -0.472 18393
7375 1 19 . 1 1 65 65 LEU N N 79 120.548 120.548 119.141 1.407 18393
7376 1 19 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.016 -0.152 18393
7377 1 19 . 1 1 65 65 LEU C C 79 178.861 178.861 179.393 -0.532 18393
7378 1 19 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.458 0.019 18393
7379 1 19 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.082 0.536 18393
7380 1 19 . 1 1 65 65 LEU H H 79 8.671 8.671 8.611 0.060 18393
7381 1 19 . 1 1 66 66 GLU N N 80 117.398 117.398 117.624 -0.226 18393
7382 1 19 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.063 -0.004 18393
7383 1 19 . 1 1 66 66 GLU C C 80 178.957 178.957 177.863 1.094 18393
7384 1 19 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.986 0.349 18393
7385 1 19 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.541 -0.160 18393
7386 1 19 . 1 1 66 66 GLU H H 80 7.613 7.613 7.597 0.016 18393
7387 1 19 . 1 1 67 67 LEU N N 81 120.633 120.633 119.559 1.074 18393
7388 1 19 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.245 -0.085 18393
7389 1 19 . 1 1 67 67 LEU C C 81 180.162 180.162 178.783 1.379 18393
7390 1 19 . 1 1 67 67 LEU CA C 81 58.113 58.113 56.899 1.214 18393
7391 1 19 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.184 -0.128 18393
7392 1 19 . 1 1 67 67 LEU H H 81 7.656 7.656 7.215 0.441 18393
7393 1 19 . 1 1 68 68 LEU N N 82 118.949 118.949 120.205 -1.256 18393
7394 1 19 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.106 0.057 18393
7395 1 19 . 1 1 68 68 LEU C C 82 178.289 178.289 178.699 -0.410 18393
7396 1 19 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.779 0.076 18393
7397 1 19 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.894 0.124 18393
7398 1 19 . 1 1 68 68 LEU H H 82 8.583 8.583 8.715 -0.132 18393
7399 1 19 . 1 1 69 69 ASN N N 83 116.570 116.570 116.180 0.390 18393
7400 1 19 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.649 0.080 18393
7401 1 19 . 1 1 69 69 ASN C C 83 174.784 174.784 174.407 0.377 18393
7402 1 19 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.177 0.562 18393
7403 1 19 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.923 0.225 18393
7404 1 19 . 1 1 69 69 ASN H H 83 7.920 7.920 7.748 0.172 18393
7405 1 19 . 1 1 70 70 LYS N N 84 120.363 120.363 115.748 4.615 18393
7406 1 19 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.077 0.327 18393
7407 1 19 . 1 1 70 70 LYS C C 84 175.910 175.910 174.734 1.176 18393
7408 1 19 . 1 1 70 70 LYS CA C 84 56.836 56.836 57.640 -0.804 18393
7409 1 19 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.311 0.688 18393
7410 1 19 . 1 1 70 70 LYS H H 84 7.593 7.593 8.003 -0.410 18393
7411 1 20 . 1 1 2 2 ASP N N 16 119.381 119.381 121.889 -2.508 18393
7412 1 20 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.527 -0.187 18393
7413 1 20 . 1 1 2 2 ASP C C 16 178.935 178.935 178.094 0.841 18393
7414 1 20 . 1 1 2 2 ASP CA C 16 57.708 57.708 56.834 0.874 18393
7415 1 20 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.739 -0.058 18393
7416 1 20 . 1 1 2 2 ASP H H 16 8.320 8.320 8.482 -0.162 18393
7417 1 20 . 1 1 3 3 ILE N N 17 121.475 121.475 119.368 2.107 18393
7418 1 20 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.851 -0.305 18393
7419 1 20 . 1 1 3 3 ILE C C 17 177.116 177.116 177.811 -0.695 18393
7420 1 20 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.513 0.720 18393
7421 1 20 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.580 0.121 18393
7422 1 20 . 1 1 3 3 ILE H H 17 7.793 7.793 8.220 -0.427 18393
7423 1 20 . 1 1 4 4 CYS N N 18 117.506 117.506 118.559 -1.053 18393
7424 1 20 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.443 -0.501 18393
7425 1 20 . 1 1 4 4 CYS C C 18 176.671 176.671 176.743 -0.072 18393
7426 1 20 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.595 3.029 18393
7427 1 20 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.897 -0.932 18393
7428 1 20 . 1 1 4 4 CYS H H 18 7.823 7.823 7.746 0.077 18393
7429 1 20 . 1 1 5 5 LEU N N 19 118.832 118.832 122.970 -4.138 18393
7430 1 20 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.109 -0.013 18393
7431 1 20 . 1 1 5 5 LEU C C 19 180.698 180.698 179.187 1.511 18393
7432 1 20 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.891 0.046 18393
7433 1 20 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.831 0.235 18393
7434 1 20 . 1 1 5 5 LEU H H 19 8.101 8.101 8.509 -0.408 18393
7435 1 20 . 1 1 6 6 ARG N N 20 119.443 119.443 119.914 -0.471 18393
7436 1 20 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.949 -0.015 18393
7437 1 20 . 1 1 6 6 ARG C C 20 178.169 178.169 177.809 0.360 18393
7438 1 20 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.720 0.155 18393
7439 1 20 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.109 -0.129 18393
7440 1 20 . 1 1 6 6 ARG H H 20 7.934 7.934 8.392 -0.458 18393
7441 1 20 . 1 1 7 7 LYS N N 21 116.636 116.636 116.566 0.070 18393
7442 1 20 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.850 -0.077 18393
7443 1 20 . 1 1 7 7 LYS C C 21 175.224 175.224 175.505 -0.281 18393
7444 1 20 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.121 -0.043 18393
7445 1 20 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.638 -0.121 18393
7446 1 20 . 1 1 7 7 LYS H H 21 7.553 7.553 7.271 0.282 18393
7447 1 20 . 1 1 8 8 ASN N N 22 114.898 114.898 115.166 -0.268 18393
7448 1 20 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.381 -0.079 18393
7449 1 20 . 1 1 8 8 ASN C C 22 174.073 174.073 174.294 -0.221 18393
7450 1 20 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.396 0.037 18393
7451 1 20 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.327 -0.310 18393
7452 1 20 . 1 1 8 8 ASN H H 22 7.640 7.640 7.616 0.024 18393
7453 1 20 . 1 1 9 9 TRP N N 23 120.563 120.563 120.014 0.549 18393
7454 1 20 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.156 0.085 18393
7455 1 20 . 1 1 9 9 TRP C C 23 173.601 173.601 175.031 -1.430 18393
7456 1 20 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.343 -2.523 18393
7457 1 20 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.465 1.109 18393
7458 1 20 . 1 1 9 9 TRP H H 23 8.692 8.692 7.630 1.062 18393
7459 1 20 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.534 -0.075 18393
7460 1 20 . 1 1 10 10 PRO C C 24 175.391 175.391 176.444 -1.053 18393
7461 1 20 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.316 -0.218 18393
7462 1 20 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.731 -1.149 18393
7463 1 20 . 1 1 11 11 MET N N 25 116.562 116.562 117.422 -0.860 18393
7464 1 20 . 1 1 11 11 MET HA H 25 4.751 4.751 4.772 -0.021 18393
7465 1 20 . 1 1 11 11 MET C C 25 175.240 175.240 175.208 0.032 18393
7466 1 20 . 1 1 11 11 MET CA C 25 53.800 53.800 53.164 0.636 18393
7467 1 20 . 1 1 11 11 MET CB C 25 30.695 30.695 31.034 -0.339 18393
7468 1 20 . 1 1 11 11 MET H H 25 8.201 8.201 8.362 -0.161 18393
7469 1 20 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.687 -0.363 18393
7470 1 20 . 1 1 12 12 PRO C C 26 174.890 174.890 176.131 -1.241 18393
7471 1 20 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.654 0.827 18393
7472 1 20 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.701 0.024 18393
7473 1 20 . 1 1 13 13 SER N N 27 116.608 116.608 115.264 1.344 18393
7474 1 20 . 1 1 13 13 SER HA H 27 4.781 4.781 4.768 0.013 18393
7475 1 20 . 1 1 13 13 SER C C 27 173.365 173.365 173.502 -0.137 18393
7476 1 20 . 1 1 13 13 SER CA C 27 57.219 57.219 58.112 -0.893 18393
7477 1 20 . 1 1 13 13 SER CB C 27 64.227 64.227 64.110 0.117 18393
7478 1 20 . 1 1 13 13 SER H H 27 8.555 8.555 8.610 -0.055 18393
7479 1 20 . 1 1 14 14 TYR N N 28 125.256 125.256 123.662 1.594 18393
7480 1 20 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.080 0.541 18393
7481 1 20 . 1 1 14 14 TYR C C 28 176.175 176.175 174.585 1.590 18393
7482 1 20 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.932 -0.369 18393
7483 1 20 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.966 0.895 18393
7484 1 20 . 1 1 14 14 TYR H H 28 8.939 8.939 8.632 0.307 18393
7485 1 20 . 1 1 15 15 ARG N N 29 120.540 120.540 125.684 -5.144 18393
7486 1 20 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.642 -0.100 18393
7487 1 20 . 1 1 15 15 ARG C C 29 173.134 173.134 174.389 -1.255 18393
7488 1 20 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.282 -0.462 18393
7489 1 20 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.141 0.580 18393
7490 1 20 . 1 1 15 15 ARG H H 29 9.159 9.159 9.303 -0.144 18393
7491 1 20 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.672 -1.775 18393
7492 1 20 . 1 1 16 16 CYS C C 30 174.180 174.180 175.742 -1.562 18393
7493 1 20 . 1 1 16 16 CYS CA C 30 58.719 58.719 58.915 -0.196 18393
7494 1 20 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.214 -2.108 18393
7495 1 20 . 1 1 17 17 VAL N N 31 132.259 132.259 121.222 11.037 18393
7496 1 20 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.202 -0.551 18393
7497 1 20 . 1 1 17 17 VAL C C 31 175.711 175.711 175.757 -0.046 18393
7498 1 20 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.622 0.464 18393
7499 1 20 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.242 0.270 18393
7500 1 20 . 1 1 17 17 VAL H H 31 8.659 8.659 8.533 0.126 18393
7501 1 20 . 1 1 18 18 LYS N N 32 118.630 118.630 121.806 -3.176 18393
7502 1 20 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.603 -0.243 18393
7503 1 20 . 1 1 18 18 LYS C C 32 173.015 173.015 174.354 -1.339 18393
7504 1 20 . 1 1 18 18 LYS CA C 32 56.402 56.402 56.019 0.383 18393
7505 1 20 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.806 1.198 18393
7506 1 20 . 1 1 18 18 LYS H H 32 7.673 7.673 8.139 -0.466 18393
7507 1 20 . 1 1 19 19 GLU N N 33 125.800 125.800 126.334 -0.534 18393
7508 1 20 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.833 0.020 18393
7509 1 20 . 1 1 19 19 GLU C C 33 175.060 175.060 175.652 -0.592 18393
7510 1 20 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.906 -1.342 18393
7511 1 20 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.990 -0.853 18393
7512 1 20 . 1 1 19 19 GLU H H 33 8.431 8.431 8.672 -0.241 18393
7513 1 20 . 1 1 20 20 GLY N N 34 111.079 111.079 113.366 -2.287 18393
7514 1 20 . 1 1 20 20 GLY C C 34 172.318 172.318 173.087 -0.769 18393
7515 1 20 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.923 -0.282 18393
7516 1 20 . 1 1 20 20 GLY H H 34 8.345 8.345 8.205 0.140 18393
7517 1 20 . 1 1 21 21 GLY N N 35 107.395 107.395 107.509 -0.114 18393
7518 1 20 . 1 1 21 21 GLY C C 35 171.757 171.757 172.905 -1.148 18393
7519 1 20 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.840 -1.103 18393
7520 1 20 . 1 1 21 21 GLY H H 35 8.184 8.184 7.943 0.241 18393
7521 1 20 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.275 0.201 18393
7522 1 20 . 1 1 22 22 PRO C C 36 177.171 177.171 176.365 0.806 18393
7523 1 20 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.419 -2.156 18393
7524 1 20 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.058 0.203 18393
7525 1 20 . 1 1 23 23 ALA N N 37 120.595 120.595 115.242 5.353 18393
7526 1 20 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.241 -0.418 18393
7527 1 20 . 1 1 23 23 ALA C C 37 178.547 178.547 176.886 1.661 18393
7528 1 20 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.188 3.305 18393
7529 1 20 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.980 -0.429 18393
7530 1 20 . 1 1 23 23 ALA H H 37 8.580 8.580 7.492 1.088 18393
7531 1 20 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.574 0.041 18393
7532 1 20 . 1 1 24 24 HIS C C 38 174.890 174.890 174.206 0.684 18393
7533 1 20 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.242 -0.381 18393
7534 1 20 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.177 1.183 18393
7535 1 20 . 1 1 25 25 ALA N N 39 128.271 128.271 122.732 5.539 18393
7536 1 20 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.463 0.011 18393
7537 1 20 . 1 1 25 25 ALA C C 39 174.351 174.351 176.917 -2.566 18393
7538 1 20 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.444 -0.128 18393
7539 1 20 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.648 -1.537 18393
7540 1 20 . 1 1 25 25 ALA H H 39 7.697 7.697 7.638 0.059 18393
7541 1 20 . 1 1 26 26 LYS N N 40 121.927 121.927 119.505 2.422 18393
7542 1 20 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.117 0.001 18393
7543 1 20 . 1 1 26 26 LYS C C 40 177.551 177.551 174.891 2.660 18393
7544 1 20 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.635 1.509 18393
7545 1 20 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.299 0.773 18393
7546 1 20 . 1 1 26 26 LYS H H 40 7.990 7.990 8.011 -0.021 18393
7547 1 20 . 1 1 27 27 ARG N N 41 119.572 119.572 117.916 1.656 18393
7548 1 20 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.152 0.486 18393
7549 1 20 . 1 1 27 27 ARG C C 41 174.770 174.770 175.292 -0.522 18393
7550 1 20 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.236 -1.758 18393
7551 1 20 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.397 2.993 18393
7552 1 20 . 1 1 27 27 ARG H H 41 8.296 8.296 7.372 0.924 18393
7553 1 20 . 1 1 28 28 PHE N N 42 120.381 120.381 123.901 -3.520 18393
7554 1 20 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.361 -0.314 18393
7555 1 20 . 1 1 28 28 PHE C C 42 174.407 174.407 175.833 -1.426 18393
7556 1 20 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.659 1.367 18393
7557 1 20 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.028 2.101 18393
7558 1 20 . 1 1 28 28 PHE H H 42 9.339 9.339 8.864 0.475 18393
7559 1 20 . 1 1 29 29 THR N N 43 117.999 117.999 118.633 -0.634 18393
7560 1 20 . 1 1 29 29 THR HA H 43 4.704 4.704 4.825 -0.121 18393
7561 1 20 . 1 1 29 29 THR C C 43 173.713 173.713 172.853 0.860 18393
7562 1 20 . 1 1 29 29 THR CA C 43 62.117 62.117 61.541 0.576 18393
7563 1 20 . 1 1 29 29 THR CB C 43 70.104 70.104 71.022 -0.918 18393
7564 1 20 . 1 1 29 29 THR H H 43 8.949 8.949 9.197 -0.248 18393
7565 1 20 . 1 1 30 30 PHE N N 44 129.592 129.592 126.336 3.256 18393
7566 1 20 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.985 0.410 18393
7567 1 20 . 1 1 30 30 PHE C C 44 173.221 173.221 172.794 0.427 18393
7568 1 20 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.245 0.178 18393
7569 1 20 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.528 1.389 18393
7570 1 20 . 1 1 30 30 PHE H H 44 10.048 10.048 8.780 1.268 18393
7571 1 20 . 1 1 31 31 GLY N N 45 105.921 105.921 109.568 -3.647 18393
7572 1 20 . 1 1 31 31 GLY C C 45 172.774 172.774 171.983 0.791 18393
7573 1 20 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.367 0.171 18393
7574 1 20 . 1 1 31 31 GLY H H 45 9.290 9.290 7.925 1.365 18393
7575 1 20 . 1 1 32 32 VAL N N 46 121.311 121.311 121.347 -0.036 18393
7576 1 20 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.708 0.642 18393
7577 1 20 . 1 1 32 32 VAL C C 46 171.140 171.140 174.884 -3.744 18393
7578 1 20 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.160 -0.328 18393
7579 1 20 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.137 2.250 18393
7580 1 20 . 1 1 32 32 VAL H H 46 8.906 8.906 7.974 0.932 18393
7581 1 20 . 1 1 33 33 ARG N N 47 122.102 122.102 119.793 2.309 18393
7582 1 20 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.050 -0.479 18393
7583 1 20 . 1 1 33 33 ARG C C 47 173.683 173.683 174.248 -0.565 18393
7584 1 20 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.815 0.143 18393
7585 1 20 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.024 1.692 18393
7586 1 20 . 1 1 33 33 ARG H H 47 8.008 8.008 7.890 0.118 18393
7587 1 20 . 1 1 34 34 VAL N N 48 117.391 117.391 119.935 -2.544 18393
7588 1 20 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.555 0.232 18393
7589 1 20 . 1 1 34 34 VAL C C 48 172.777 172.777 173.654 -0.877 18393
7590 1 20 . 1 1 34 34 VAL CA C 48 59.970 59.970 59.756 0.214 18393
7591 1 20 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.952 0.360 18393
7592 1 20 . 1 1 34 34 VAL H H 48 8.103 8.103 8.968 -0.865 18393
7593 1 20 . 1 1 35 35 ASN N N 49 127.065 127.065 121.552 5.513 18393
7594 1 20 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.435 -0.899 18393
7595 1 20 . 1 1 35 35 ASN C C 49 174.221 174.221 174.185 0.036 18393
7596 1 20 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.794 -1.187 18393
7597 1 20 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.032 -3.290 18393
7598 1 20 . 1 1 35 35 ASN H H 49 8.543 8.543 8.692 -0.149 18393
7599 1 20 . 1 1 36 36 THR N N 50 114.402 114.402 116.476 -2.074 18393
7600 1 20 . 1 1 36 36 THR HA H 50 2.159 2.159 2.890 -0.731 18393
7601 1 20 . 1 1 36 36 THR C C 50 175.168 175.168 175.595 -0.427 18393
7602 1 20 . 1 1 36 36 THR CA C 50 61.126 61.126 61.731 -0.605 18393
7603 1 20 . 1 1 36 36 THR CB C 50 69.987 69.987 68.858 1.129 18393
7604 1 20 . 1 1 36 36 THR H H 50 6.801 6.801 7.882 -1.081 18393
7605 1 20 . 1 1 37 37 SER N N 51 114.587 114.587 120.510 -5.923 18393
7606 1 20 . 1 1 37 37 SER HA H 51 4.105 4.105 4.001 0.104 18393
7607 1 20 . 1 1 37 37 SER C C 51 174.760 174.760 175.090 -0.330 18393
7608 1 20 . 1 1 37 37 SER CA C 51 59.958 59.958 61.740 -1.782 18393
7609 1 20 . 1 1 37 37 SER CB C 51 63.115 63.115 63.174 -0.059 18393
7610 1 20 . 1 1 37 37 SER H H 51 6.797 6.797 8.449 -1.652 18393
7611 1 20 . 1 1 38 38 ASP N N 52 117.329 117.329 117.457 -0.128 18393
7612 1 20 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.604 -0.015 18393
7613 1 20 . 1 1 38 38 ASP C C 52 177.236 177.236 176.385 0.851 18393
7614 1 20 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.715 -0.165 18393
7615 1 20 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.638 -0.032 18393
7616 1 20 . 1 1 38 38 ASP H H 52 8.784 8.784 8.411 0.373 18393
7617 1 20 . 1 1 39 39 ARG N N 53 118.330 118.330 118.741 -0.411 18393
7618 1 20 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.481 0.015 18393
7619 1 20 . 1 1 39 39 ARG C C 53 176.062 176.062 176.243 -0.181 18393
7620 1 20 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.084 -1.034 18393
7621 1 20 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.310 -1.869 18393
7622 1 20 . 1 1 39 39 ARG H H 53 7.666 7.666 8.101 -0.435 18393
7623 1 20 . 1 1 40 40 GLY N N 54 110.510 110.510 107.096 3.414 18393
7624 1 20 . 1 1 40 40 GLY C C 54 177.680 177.680 172.641 5.039 18393
7625 1 20 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.185 0.492 18393
7626 1 20 . 1 1 40 40 GLY H H 54 7.248 7.248 7.866 -0.618 18393
7627 1 20 . 1 1 41 41 TRP N N 55 123.328 123.328 123.460 -0.132 18393
7628 1 20 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.780 0.139 18393
7629 1 20 . 1 1 41 41 TRP C C 55 178.873 178.873 177.579 1.294 18393
7630 1 20 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.355 0.762 18393
7631 1 20 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.323 0.451 18393
7632 1 20 . 1 1 41 41 TRP H H 55 8.289 8.289 8.320 -0.031 18393
7633 1 20 . 1 1 42 42 THR N N 56 114.627 114.627 116.552 -1.925 18393
7634 1 20 . 1 1 42 42 THR HA H 56 4.329 4.329 4.280 0.049 18393
7635 1 20 . 1 1 42 42 THR C C 56 175.261 175.261 174.213 1.048 18393
7636 1 20 . 1 1 42 42 THR CA C 56 61.698 61.698 61.498 0.200 18393
7637 1 20 . 1 1 42 42 THR CB C 56 72.359 72.359 70.230 2.129 18393
7638 1 20 . 1 1 42 42 THR H H 56 8.972 8.972 8.353 0.619 18393
7639 1 20 . 1 1 43 43 ASP N N 57 120.151 120.151 120.812 -0.661 18393
7640 1 20 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.553 -0.108 18393
7641 1 20 . 1 1 43 43 ASP C C 57 175.710 175.710 175.982 -0.272 18393
7642 1 20 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.382 -0.005 18393
7643 1 20 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.178 -0.306 18393
7644 1 20 . 1 1 43 43 ASP H H 57 8.379 8.379 8.366 0.013 18393
7645 1 20 . 1 1 44 44 GLU N N 58 122.449 122.449 123.890 -1.441 18393
7646 1 20 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.447 0.018 18393
7647 1 20 . 1 1 44 44 GLU C C 58 176.412 176.412 176.776 -0.364 18393
7648 1 20 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.906 -1.435 18393
7649 1 20 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.980 1.078 18393
7650 1 20 . 1 1 44 44 GLU H H 58 8.581 8.581 8.574 0.007 18393
7651 1 20 . 1 1 45 45 CYS N N 59 126.725 126.725 128.036 -1.311 18393
7652 1 20 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.522 0.173 18393
7653 1 20 . 1 1 45 45 CYS C C 59 173.364 173.364 174.090 -0.726 18393
7654 1 20 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.438 1.482 18393
7655 1 20 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.076 3.608 18393
7656 1 20 . 1 1 45 45 CYS H H 59 8.671 8.671 8.886 -0.215 18393
7657 1 20 . 1 1 46 46 ILE N N 60 126.614 126.614 126.621 -0.007 18393
7658 1 20 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.276 0.417 18393
7659 1 20 . 1 1 46 46 ILE C C 60 176.175 176.175 176.761 -0.586 18393
7660 1 20 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.233 0.542 18393
7661 1 20 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.264 1.083 18393
7662 1 20 . 1 1 46 46 ILE H H 60 8.735 8.735 7.996 0.739 18393
7663 1 20 . 1 1 47 47 GLY N N 61 112.366 112.366 116.884 -4.518 18393
7664 1 20 . 1 1 47 47 GLY C C 61 171.844 171.844 173.436 -1.592 18393
7665 1 20 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.289 -0.006 18393
7666 1 20 . 1 1 47 47 GLY H H 61 8.610 8.610 8.873 -0.263 18393
7667 1 20 . 1 1 48 48 GLU N N 62 115.030 115.030 119.916 -4.886 18393
7668 1 20 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.597 -0.052 18393
7669 1 20 . 1 1 48 48 GLU C C 62 174.927 174.927 174.881 0.046 18393
7670 1 20 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.407 -0.525 18393
7671 1 20 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.359 -0.010 18393
7672 1 20 . 1 1 48 48 GLU H H 62 8.214 8.214 8.103 0.111 18393
7673 1 20 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.624 0.240 18393
7674 1 20 . 1 1 49 49 PRO C C 63 178.286 178.286 176.144 2.142 18393
7675 1 20 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.371 -1.111 18393
7676 1 20 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.751 -0.484 18393
7677 1 20 . 1 1 50 50 MET N N 64 123.505 123.505 125.108 -1.603 18393
7678 1 20 . 1 1 50 50 MET HA H 64 5.530 5.530 4.971 0.559 18393
7679 1 20 . 1 1 50 50 MET C C 64 176.337 176.337 175.018 1.319 18393
7680 1 20 . 1 1 50 50 MET CA C 64 51.674 51.674 51.523 0.151 18393
7681 1 20 . 1 1 50 50 MET CB C 64 37.597 37.597 33.714 3.883 18393
7682 1 20 . 1 1 50 50 MET H H 64 9.267 9.267 8.857 0.410 18393
7683 1 20 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.405 0.681 18393
7684 1 20 . 1 1 51 51 PRO C C 65 174.862 174.862 175.949 -1.087 18393
7685 1 20 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.184 0.481 18393
7686 1 20 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.301 1.226 18393
7687 1 20 . 1 1 52 52 SER N N 66 109.598 109.598 112.212 -2.614 18393
7688 1 20 . 1 1 52 52 SER HA H 66 4.813 4.813 4.842 -0.029 18393
7689 1 20 . 1 1 52 52 SER C C 66 173.368 173.368 174.699 -1.331 18393
7690 1 20 . 1 1 52 52 SER CA C 66 55.463 55.463 56.509 -1.046 18393
7691 1 20 . 1 1 52 52 SER CB C 66 66.775 66.775 65.512 1.263 18393
7692 1 20 . 1 1 52 52 SER H H 66 7.165 7.165 7.323 -0.158 18393
7693 1 20 . 1 1 53 53 VAL N N 67 124.347 124.347 126.403 -2.056 18393
7694 1 20 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.764 -0.934 18393
7695 1 20 . 1 1 53 53 VAL C C 67 177.116 177.116 177.229 -0.113 18393
7696 1 20 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.708 2.121 18393
7697 1 20 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.179 0.145 18393
7698 1 20 . 1 1 53 53 VAL H H 67 8.522 8.522 8.794 -0.272 18393
7699 1 20 . 1 1 54 54 LYS N N 68 118.639 118.639 119.210 -0.571 18393
7700 1 20 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.128 -0.659 18393
7701 1 20 . 1 1 54 54 LYS C C 68 178.286 178.286 178.388 -0.102 18393
7702 1 20 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.008 1.342 18393
7703 1 20 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.064 0.300 18393
7704 1 20 . 1 1 54 54 LYS H H 68 8.098 8.098 7.658 0.440 18393
7705 1 20 . 1 1 55 55 LYS N N 69 115.388 115.388 118.772 -3.384 18393
7706 1 20 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.355 -0.261 18393
7707 1 20 . 1 1 55 55 LYS C C 69 179.694 179.694 178.568 1.126 18393
7708 1 20 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.388 0.440 18393
7709 1 20 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.117 0.722 18393
7710 1 20 . 1 1 55 55 LYS H H 69 7.499 7.499 7.685 -0.186 18393
7711 1 20 . 1 1 56 56 ALA N N 70 124.226 124.226 124.899 -0.673 18393
7712 1 20 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.198 -0.049 18393
7713 1 20 . 1 1 56 56 ALA C C 70 181.217 181.217 179.420 1.797 18393
7714 1 20 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.305 0.411 18393
7715 1 20 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.540 1.970 18393
7716 1 20 . 1 1 56 56 ALA H H 70 8.296 8.296 8.104 0.192 18393
7717 1 20 . 1 1 57 57 LYS N N 71 120.522 120.522 118.005 2.517 18393
7718 1 20 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.058 -0.415 18393
7719 1 20 . 1 1 57 57 LYS C C 71 177.937 177.937 178.838 -0.901 18393
7720 1 20 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.193 0.894 18393
7721 1 20 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.022 0.106 18393
7722 1 20 . 1 1 57 57 LYS H H 71 8.385 8.385 7.569 0.816 18393
7723 1 20 . 1 1 58 58 ASP N N 72 119.428 119.428 118.932 0.496 18393
7724 1 20 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.415 -0.109 18393
7725 1 20 . 1 1 58 58 ASP C C 72 177.042 177.042 178.597 -1.555 18393
7726 1 20 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.395 0.745 18393
7727 1 20 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.797 -0.673 18393
7728 1 20 . 1 1 58 58 ASP H H 72 8.029 8.029 7.782 0.247 18393
7729 1 20 . 1 1 59 59 SER N N 73 111.435 111.435 115.513 -4.078 18393
7730 1 20 . 1 1 59 59 SER HA H 73 4.243 4.243 4.130 0.113 18393
7731 1 20 . 1 1 59 59 SER C C 73 177.000 177.000 176.493 0.507 18393
7732 1 20 . 1 1 59 59 SER CA C 73 63.579 63.579 61.691 1.888 18393
7733 1 20 . 1 1 59 59 SER CB C 73 60.947 60.947 63.105 -2.158 18393
7734 1 20 . 1 1 59 59 SER H H 73 7.785 7.785 8.244 -0.459 18393
7735 1 20 . 1 1 60 60 ALA N N 74 120.363 120.363 123.416 -3.053 18393
7736 1 20 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.996 -0.033 18393
7737 1 20 . 1 1 60 60 ALA C C 74 178.170 178.170 179.391 -1.221 18393
7738 1 20 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.981 0.517 18393
7739 1 20 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.377 -0.466 18393
7740 1 20 . 1 1 60 60 ALA H H 74 7.472 7.472 7.718 -0.246 18393
7741 1 20 . 1 1 61 61 ALA N N 75 118.116 118.116 122.106 -3.990 18393
7742 1 20 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.075 -0.127 18393
7743 1 20 . 1 1 61 61 ALA C C 75 179.341 179.341 179.623 -0.282 18393
7744 1 20 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.306 0.354 18393
7745 1 20 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.436 0.506 18393
7746 1 20 . 1 1 61 61 ALA H H 75 8.653 8.653 8.598 0.055 18393
7747 1 20 . 1 1 62 62 VAL N N 76 115.858 115.858 117.648 -1.790 18393
7748 1 20 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.657 -0.001 18393
7749 1 20 . 1 1 62 62 VAL C C 76 178.051 178.051 178.050 0.001 18393
7750 1 20 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.382 0.269 18393
7751 1 20 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.751 0.096 18393
7752 1 20 . 1 1 62 62 VAL H H 76 8.124 8.124 7.954 0.170 18393
7753 1 20 . 1 1 63 63 LEU N N 77 119.881 119.881 118.706 1.175 18393
7754 1 20 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.172 0.017 18393
7755 1 20 . 1 1 63 63 LEU C C 77 179.692 179.692 179.472 0.220 18393
7756 1 20 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.126 0.458 18393
7757 1 20 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.794 0.122 18393
7758 1 20 . 1 1 63 63 LEU H H 77 7.038 7.038 7.213 -0.175 18393
7759 1 20 . 1 1 64 64 LEU N N 78 122.083 122.083 121.961 0.122 18393
7760 1 20 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.132 0.396 18393
7761 1 20 . 1 1 64 64 LEU C C 78 178.601 178.601 178.687 -0.086 18393
7762 1 20 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.826 -0.368 18393
7763 1 20 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.956 -0.702 18393
7764 1 20 . 1 1 64 64 LEU H H 78 7.694 7.694 8.217 -0.523 18393
7765 1 20 . 1 1 65 65 LEU N N 79 120.548 120.548 118.389 2.159 18393
7766 1 20 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.051 -0.187 18393
7767 1 20 . 1 1 65 65 LEU C C 79 178.861 178.861 178.986 -0.125 18393
7768 1 20 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.215 0.262 18393
7769 1 20 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.412 0.206 18393
7770 1 20 . 1 1 65 65 LEU H H 79 8.671 8.671 8.468 0.203 18393
7771 1 20 . 1 1 66 66 GLU N N 80 117.398 117.398 117.600 -0.202 18393
7772 1 20 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.090 -0.031 18393
7773 1 20 . 1 1 66 66 GLU C C 80 178.957 178.957 177.496 1.461 18393
7774 1 20 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.704 0.632 18393
7775 1 20 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.610 -0.229 18393
7776 1 20 . 1 1 66 66 GLU H H 80 7.613 7.613 7.429 0.184 18393
7777 1 20 . 1 1 67 67 LEU N N 81 120.633 120.633 119.360 1.273 18393
7778 1 20 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.068 0.092 18393
7779 1 20 . 1 1 67 67 LEU C C 81 180.162 180.162 178.574 1.588 18393
7780 1 20 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.125 0.988 18393
7781 1 20 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.417 -0.360 18393
7782 1 20 . 1 1 67 67 LEU H H 81 7.656 7.656 7.371 0.285 18393
7783 1 20 . 1 1 68 68 LEU N N 82 118.949 118.949 117.997 0.952 18393
7784 1 20 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.201 -0.038 18393
7785 1 20 . 1 1 68 68 LEU C C 82 178.289 178.289 178.461 -0.172 18393
7786 1 20 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.277 0.578 18393
7787 1 20 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.860 0.158 18393
7788 1 20 . 1 1 68 68 LEU H H 82 8.583 8.583 8.336 0.247 18393
7789 1 20 . 1 1 69 69 ASN N N 83 116.570 116.570 115.131 1.439 18393
7790 1 20 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.734 -0.005 18393
7791 1 20 . 1 1 69 69 ASN C C 83 174.784 174.784 174.713 0.071 18393
7792 1 20 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.404 0.334 18393
7793 1 20 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.249 -0.101 18393
7794 1 20 . 1 1 69 69 ASN H H 83 7.920 7.920 7.628 0.292 18393
7795 1 20 . 1 1 70 70 LYS N N 84 120.363 120.363 117.591 2.772 18393
7796 1 20 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.132 0.272 18393
7797 1 20 . 1 1 70 70 LYS C C 84 175.910 175.910 174.349 1.561 18393
7798 1 20 . 1 1 70 70 LYS CA C 84 56.836 56.836 57.239 -0.403 18393
7799 1 20 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.193 0.806 18393
7800 1 20 . 1 1 70 70 LYS H H 84 7.593 7.593 8.125 -0.532 18393
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 62 2.948 0.560 2.917 18393
2 1 1 "Average Difference" HA 74 0.427 0.030 0.429 18393
3 1 1 "Average Difference" C 69 1.206 0.096 1.211 18393
4 1 1 "Average Difference" CA 69 0.964 -0.110 0.965 18393
5 1 1 "Average Difference" CB 64 1.346 -0.378 1.302 18393
6 1 1 "Average Difference" HN 62 0.505 0.001 0.509 18393
7 1 2 "Average Difference" N 62 2.908 0.269 2.919 18393
8 1 2 "Average Difference" HA 74 0.440 0.059 0.439 18393
9 1 2 "Average Difference" C 69 1.277 0.048 1.286 18393
10 1 2 "Average Difference" CA 69 1.105 -0.168 1.100 18393
11 1 2 "Average Difference" CB 64 1.290 -0.306 1.263 18393
12 1 2 "Average Difference" HN 62 0.553 -0.069 0.553 18393
13 1 3 "Average Difference" N 62 2.921 0.536 2.895 18393
14 1 3 "Average Difference" HA 74 0.424 0.047 0.424 18393
15 1 3 "Average Difference" C 69 1.255 0.089 1.261 18393
16 1 3 "Average Difference" CA 69 1.047 -0.132 1.047 18393
17 1 3 "Average Difference" CB 64 1.192 -0.316 1.158 18393
18 1 3 "Average Difference" HN 62 0.550 -0.060 0.551 18393
19 1 4 "Average Difference" N 62 3.019 0.378 3.020 18393
20 1 4 "Average Difference" HA 74 0.463 0.051 0.464 18393
21 1 4 "Average Difference" C 69 1.361 0.043 1.370 18393
22 1 4 "Average Difference" CA 69 1.096 -0.154 1.093 18393
23 1 4 "Average Difference" CB 64 1.411 -0.194 1.409 18393
24 1 4 "Average Difference" HN 62 0.558 -0.024 0.562 18393
25 1 5 "Average Difference" N 62 2.886 0.622 2.841 18393
26 1 5 "Average Difference" HA 74 0.441 0.049 0.441 18393
27 1 5 "Average Difference" C 69 1.262 0.072 1.269 18393
28 1 5 "Average Difference" CA 69 0.970 -0.103 0.972 18393
29 1 5 "Average Difference" CB 64 1.340 -0.366 1.299 18393
30 1 5 "Average Difference" HN 62 0.533 -0.002 0.538 18393
31 1 6 "Average Difference" N 62 2.856 0.451 2.844 18393
32 1 6 "Average Difference" HA 74 0.428 0.033 0.430 18393
33 1 6 "Average Difference" C 69 1.237 0.071 1.244 18393
34 1 6 "Average Difference" CA 69 1.075 -0.106 1.078 18393
35 1 6 "Average Difference" CB 64 1.335 -0.350 1.298 18393
36 1 6 "Average Difference" HN 62 0.509 -0.024 0.513 18393
37 1 7 "Average Difference" N 62 2.563 0.578 2.517 18393
38 1 7 "Average Difference" HA 74 0.436 0.039 0.437 18393
39 1 7 "Average Difference" C 69 1.259 0.044 1.267 18393
40 1 7 "Average Difference" CA 69 1.017 -0.105 1.019 18393
41 1 7 "Average Difference" CB 64 1.287 -0.329 1.253 18393
42 1 7 "Average Difference" HN 62 0.556 -0.033 0.560 18393
43 1 8 "Average Difference" N 62 2.790 0.402 2.784 18393
44 1 8 "Average Difference" HA 74 0.442 0.048 0.442 18393
45 1 8 "Average Difference" C 69 1.240 0.075 1.247 18393
46 1 8 "Average Difference" CA 69 0.957 -0.109 0.958 18393
47 1 8 "Average Difference" CB 64 1.224 -0.309 1.194 18393
48 1 8 "Average Difference" HN 62 0.544 -0.011 0.549 18393
49 1 9 "Average Difference" N 62 2.787 0.553 2.754 18393
50 1 9 "Average Difference" HA 74 0.431 0.055 0.430 18393
51 1 9 "Average Difference" C 69 1.197 -0.004 1.206 18393
52 1 9 "Average Difference" CA 69 0.987 -0.161 0.981 18393
53 1 9 "Average Difference" CB 64 1.274 -0.260 1.257 18393
54 1 9 "Average Difference" HN 62 0.535 -0.033 0.539 18393
55 1 10 "Average Difference" N 62 2.920 0.389 2.917 18393
56 1 10 "Average Difference" HA 74 0.434 0.042 0.435 18393
57 1 10 "Average Difference" C 69 1.307 0.107 1.312 18393
58 1 10 "Average Difference" CA 69 1.048 -0.055 1.054 18393
59 1 10 "Average Difference" CB 64 1.301 -0.313 1.273 18393
60 1 10 "Average Difference" HN 62 0.566 -0.055 0.568 18393
61 1 11 "Average Difference" N 62 2.805 0.351 2.806 18393
62 1 11 "Average Difference" HA 74 0.435 0.046 0.435 18393
63 1 11 "Average Difference" C 69 1.276 0.092 1.282 18393
64 1 11 "Average Difference" CA 69 0.962 -0.150 0.957 18393
65 1 11 "Average Difference" CB 64 1.332 -0.377 1.287 18393
66 1 11 "Average Difference" HN 62 0.550 -0.046 0.552 18393
67 1 12 "Average Difference" N 62 2.767 0.416 2.757 18393
68 1 12 "Average Difference" HA 74 0.433 0.044 0.434 18393
69 1 12 "Average Difference" C 69 1.302 0.053 1.311 18393
70 1 12 "Average Difference" CA 69 1.061 -0.136 1.060 18393
71 1 12 "Average Difference" CB 64 1.278 -0.336 1.243 18393
72 1 12 "Average Difference" HN 62 0.541 -0.076 0.541 18393
73 1 13 "Average Difference" N 62 2.638 0.461 2.619 18393
74 1 13 "Average Difference" HA 74 0.412 0.028 0.414 18393
75 1 13 "Average Difference" C 69 1.254 0.029 1.262 18393
76 1 13 "Average Difference" CA 69 0.999 -0.133 0.998 18393
77 1 13 "Average Difference" CB 64 1.216 -0.312 1.184 18393
78 1 13 "Average Difference" HN 62 0.512 -0.035 0.515 18393
79 1 14 "Average Difference" N 62 2.670 0.178 2.686 18393
80 1 14 "Average Difference" HA 74 0.447 0.044 0.448 18393
81 1 14 "Average Difference" C 69 1.343 0.118 1.347 18393
82 1 14 "Average Difference" CA 69 1.037 -0.077 1.042 18393
83 1 14 "Average Difference" CB 64 1.295 -0.361 1.254 18393
84 1 14 "Average Difference" HN 62 0.567 -0.043 0.570 18393
85 1 15 "Average Difference" N 62 3.020 0.275 3.032 18393
86 1 15 "Average Difference" HA 74 0.411 0.019 0.414 18393
87 1 15 "Average Difference" C 69 1.277 0.063 1.284 18393
88 1 15 "Average Difference" CA 69 0.986 -0.079 0.990 18393
89 1 15 "Average Difference" CB 64 1.222 -0.382 1.170 18393
90 1 15 "Average Difference" HN 62 0.551 -0.079 0.550 18393
91 1 16 "Average Difference" N 62 2.682 0.614 2.632 18393
92 1 16 "Average Difference" HA 74 0.440 0.007 0.443 18393
93 1 16 "Average Difference" C 69 1.283 0.136 1.285 18393
94 1 16 "Average Difference" CA 69 1.132 -0.019 1.140 18393
95 1 16 "Average Difference" CB 64 1.234 -0.353 1.192 18393
96 1 16 "Average Difference" HN 62 0.538 -0.028 0.542 18393
97 1 17 "Average Difference" N 62 2.932 0.509 2.911 18393
98 1 17 "Average Difference" HA 74 0.437 0.038 0.438 18393
99 1 17 "Average Difference" C 69 1.297 0.114 1.302 18393
100 1 17 "Average Difference" CA 69 1.031 -0.111 1.033 18393
101 1 17 "Average Difference" CB 64 1.229 -0.312 1.199 18393
102 1 17 "Average Difference" HN 62 0.527 -0.042 0.529 18393
103 1 18 "Average Difference" N 62 2.897 0.624 2.852 18393
104 1 18 "Average Difference" HA 74 0.457 0.042 0.458 18393
105 1 18 "Average Difference" C 69 1.212 0.058 1.219 18393
106 1 18 "Average Difference" CA 69 1.083 -0.107 1.086 18393
107 1 18 "Average Difference" CB 64 1.218 -0.308 1.188 18393
108 1 18 "Average Difference" HN 62 0.545 -0.002 0.549 18393
109 1 19 "Average Difference" N 62 2.750 0.165 2.767 18393
110 1 19 "Average Difference" HA 74 0.406 0.012 0.408 18393
111 1 19 "Average Difference" C 69 1.313 0.009 1.322 18393
112 1 19 "Average Difference" CA 69 1.058 -0.046 1.065 18393
113 1 19 "Average Difference" CB 64 1.201 -0.295 1.174 18393
114 1 19 "Average Difference" HN 62 0.528 -0.053 0.530 18393
115 1 20 "Average Difference" N 62 2.964 0.311 2.972 18393
116 1 20 "Average Difference" HA 74 0.428 0.040 0.429 18393
117 1 20 "Average Difference" C 69 1.288 0.010 1.297 18393
118 1 20 "Average Difference" CA 69 1.042 -0.132 1.041 18393
119 1 20 "Average Difference" CB 64 1.287 -0.295 1.263 18393
120 1 20 "Average Difference" HN 62 0.537 -0.052 0.539 18393
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 18393
_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 ASP N N 16 119.381 119.381 121.726 -2.345 18393
2 1 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.458 -0.118 18393
3 1 . 1 1 2 2 ASP C C 16 178.935 178.935 178.065 0.870 18393
4 1 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.408 0.300 18393
5 1 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.661 0.020 18393
6 1 . 1 1 2 2 ASP H H 16 8.320 8.320 8.653 -0.333 18393
7 1 . 1 1 3 3 ILE N N 17 121.475 121.475 119.896 1.579 18393
8 1 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.825 -0.279 18393
9 1 . 1 1 3 3 ILE C C 17 177.116 177.116 177.904 -0.788 18393
10 1 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.308 0.925 18393
11 1 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.512 0.189 18393
12 1 . 1 1 3 3 ILE H H 17 7.793 7.793 8.135 -0.342 18393
13 1 . 1 1 4 4 CYS N N 18 117.506 117.506 118.380 -0.874 18393
14 1 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.368 -0.426 18393
15 1 . 1 1 4 4 CYS C C 18 176.671 176.671 176.943 -0.272 18393
16 1 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.528 2.096 18393
17 1 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.907 -0.942 18393
18 1 . 1 1 4 4 CYS H H 18 7.823 7.823 7.869 -0.046 18393
19 1 . 1 1 5 5 LEU N N 19 118.832 118.832 122.506 -3.674 18393
20 1 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.162 -0.066 18393
21 1 . 1 1 5 5 LEU C C 19 180.698 180.698 179.380 1.318 18393
22 1 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.903 0.034 18393
23 1 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.886 0.180 18393
24 1 . 1 1 5 5 LEU H H 19 8.101 8.101 8.507 -0.406 18393
25 1 . 1 1 6 6 ARG N N 20 119.443 119.443 119.999 -0.556 18393
26 1 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.974 -0.040 18393
27 1 . 1 1 6 6 ARG C C 20 178.169 178.169 177.771 0.398 18393
28 1 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.617 0.258 18393
29 1 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.069 -0.089 18393
30 1 . 1 1 6 6 ARG H H 20 7.934 7.934 8.279 -0.345 18393
31 1 . 1 1 7 7 LYS N N 21 116.636 116.636 116.292 0.344 18393
32 1 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.873 -0.100 18393
33 1 . 1 1 7 7 LYS C C 21 175.224 175.224 175.550 -0.326 18393
34 1 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.186 -0.108 18393
35 1 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.655 -0.139 18393
36 1 . 1 1 7 7 LYS H H 21 7.553 7.553 7.385 0.168 18393
37 1 . 1 1 8 8 ASN N N 22 114.898 114.898 114.585 0.313 18393
38 1 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.398 -0.096 18393
39 1 . 1 1 8 8 ASN C C 22 174.073 174.073 174.535 -0.462 18393
40 1 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.303 0.130 18393
41 1 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.377 -0.360 18393
42 1 . 1 1 8 8 ASN H H 22 7.640 7.640 7.616 0.024 18393
43 1 . 1 1 9 9 TRP N N 23 120.563 120.563 119.681 0.882 18393
44 1 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.107 0.134 18393
45 1 . 1 1 9 9 TRP C C 23 173.601 173.601 174.976 -1.375 18393
46 1 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.339 -2.519 18393
47 1 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.580 0.994 18393
48 1 . 1 1 9 9 TRP H H 23 8.692 8.692 7.772 0.920 18393
49 1 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.495 -0.036 18393
50 1 . 1 1 10 10 PRO C C 24 175.391 175.391 176.466 -1.075 18393
51 1 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.392 -0.294 18393
52 1 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.591 -1.008 18393
53 1 . 1 1 11 11 MET N N 25 116.562 116.562 117.984 -1.422 18393
54 1 . 1 1 11 11 MET HA H 25 4.751 4.751 4.723 0.028 18393
55 1 . 1 1 11 11 MET C C 25 175.240 175.240 175.110 0.130 18393
56 1 . 1 1 11 11 MET CA C 25 53.800 53.800 53.050 0.750 18393
57 1 . 1 1 11 11 MET CB C 25 30.695 30.695 30.876 -0.181 18393
58 1 . 1 1 11 11 MET H H 25 8.201 8.201 8.422 -0.221 18393
59 1 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.703 -0.379 18393
60 1 . 1 1 12 12 PRO C C 26 174.890 174.890 176.112 -1.222 18393
61 1 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.706 0.775 18393
62 1 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.705 0.020 18393
63 1 . 1 1 13 13 SER N N 27 116.608 116.608 115.627 0.981 18393
64 1 . 1 1 13 13 SER HA H 27 4.781 4.781 4.729 0.052 18393
65 1 . 1 1 13 13 SER C C 27 173.365 173.365 173.513 -0.148 18393
66 1 . 1 1 13 13 SER CA C 27 57.219 57.219 58.242 -1.023 18393
67 1 . 1 1 13 13 SER CB C 27 64.227 64.227 64.058 0.169 18393
68 1 . 1 1 13 13 SER H H 27 8.555 8.555 8.573 -0.018 18393
69 1 . 1 1 14 14 TYR N N 28 125.256 125.256 123.358 1.898 18393
70 1 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.089 0.532 18393
71 1 . 1 1 14 14 TYR C C 28 176.175 176.175 174.711 1.464 18393
72 1 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.863 -0.300 18393
73 1 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.853 1.008 18393
74 1 . 1 1 14 14 TYR H H 28 8.939 8.939 8.619 0.320 18393
75 1 . 1 1 15 15 ARG N N 29 120.540 120.540 125.325 -4.785 18393
76 1 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.708 -0.166 18393
77 1 . 1 1 15 15 ARG C C 29 173.134 173.134 174.843 -1.709 18393
78 1 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.159 -0.340 18393
79 1 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.992 0.729 18393
80 1 . 1 1 15 15 ARG H H 29 9.159 9.159 9.154 0.005 18393
81 1 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.600 -1.703 18393
82 1 . 1 1 16 16 CYS C C 30 174.180 174.180 175.552 -1.372 18393
83 1 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.968 -1.249 18393
84 1 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.111 -2.005 18393
85 1 . 1 1 17 17 VAL N N 31 132.259 132.259 123.654 8.605 18393
86 1 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.122 -0.471 18393
87 1 . 1 1 17 17 VAL C C 31 175.711 175.711 175.678 0.033 18393
88 1 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.764 0.322 18393
89 1 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.241 0.271 18393
90 1 . 1 1 17 17 VAL H H 31 8.659 8.659 8.597 0.062 18393
91 1 . 1 1 18 18 LYS N N 32 118.630 118.630 121.053 -2.423 18393
92 1 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.599 -0.239 18393
93 1 . 1 1 18 18 LYS C C 32 173.015 173.015 174.334 -1.319 18393
94 1 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.623 0.779 18393
95 1 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.073 0.931 18393
96 1 . 1 1 18 18 LYS H H 32 7.673 7.673 8.211 -0.538 18393
97 1 . 1 1 19 19 GLU N N 33 125.800 125.800 125.463 0.337 18393
98 1 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.706 0.147 18393
99 1 . 1 1 19 19 GLU C C 33 175.060 175.060 175.817 -0.757 18393
100 1 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.645 -1.081 18393
101 1 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.603 -0.466 18393
102 1 . 1 1 19 19 GLU H H 33 8.431 8.431 8.640 -0.209 18393
103 1 . 1 1 20 20 GLY N N 34 111.079 111.079 112.351 -1.271 18393
104 1 . 1 1 20 20 GLY C C 34 172.318 172.318 173.451 -1.133 18393
105 1 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.169 -0.528 18393
106 1 . 1 1 20 20 GLY H H 34 8.345 8.345 8.573 -0.228 18393
107 1 . 1 1 21 21 GLY N N 35 107.395 107.395 108.437 -1.042 18393
108 1 . 1 1 21 21 GLY C C 35 171.757 171.757 172.811 -1.054 18393
109 1 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.795 -1.058 18393
110 1 . 1 1 21 21 GLY H H 35 8.184 8.184 7.983 0.201 18393
111 1 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.316 0.160 18393
112 1 . 1 1 22 22 PRO C C 36 177.171 177.171 176.476 0.695 18393
113 1 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.011 -1.748 18393
114 1 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.597 0.664 18393
115 1 . 1 1 23 23 ALA N N 37 120.595 120.595 117.666 2.929 18393
116 1 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.160 -0.338 18393
117 1 . 1 1 23 23 ALA C C 37 178.547 178.547 177.564 0.983 18393
118 1 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.991 2.502 18393
119 1 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.517 0.034 18393
120 1 . 1 1 23 23 ALA H H 37 8.580 8.580 7.842 0.738 18393
121 1 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.548 0.067 18393
122 1 . 1 1 24 24 HIS C C 38 174.890 174.890 174.589 0.301 18393
123 1 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.656 -0.795 18393
124 1 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.505 0.855 18393
125 1 . 1 1 25 25 ALA N N 39 128.271 128.271 122.318 5.953 18393
126 1 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.475 -0.001 18393
127 1 . 1 1 25 25 ALA C C 39 174.351 174.351 176.620 -2.269 18393
128 1 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.419 -0.103 18393
129 1 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.256 -1.145 18393
130 1 . 1 1 25 25 ALA H H 39 7.697 7.697 7.691 0.006 18393
131 1 . 1 1 26 26 LYS N N 40 121.927 121.927 119.999 1.928 18393
132 1 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.255 -0.137 18393
133 1 . 1 1 26 26 LYS C C 40 177.551 177.551 175.188 2.363 18393
134 1 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.721 1.423 18393
135 1 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.334 0.738 18393
136 1 . 1 1 26 26 LYS H H 40 7.990 7.990 7.954 0.036 18393
137 1 . 1 1 27 27 ARG N N 41 119.572 119.572 118.144 1.428 18393
138 1 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.200 0.438 18393
139 1 . 1 1 27 27 ARG C C 41 174.770 174.770 175.504 -0.734 18393
140 1 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.276 -1.798 18393
141 1 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.580 2.810 18393
142 1 . 1 1 27 27 ARG H H 41 8.296 8.296 7.423 0.873 18393
143 1 . 1 1 28 28 PHE N N 42 120.381 120.381 123.411 -3.030 18393
144 1 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.196 -0.149 18393
145 1 . 1 1 28 28 PHE C C 42 174.407 174.407 175.777 -1.370 18393
146 1 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.408 1.617 18393
147 1 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.873 2.256 18393
148 1 . 1 1 28 28 PHE H H 42 9.339 9.339 8.963 0.376 18393
149 1 . 1 1 29 29 THR N N 43 117.999 117.999 119.023 -1.024 18393
150 1 . 1 1 29 29 THR HA H 43 4.704 4.704 4.809 -0.105 18393
151 1 . 1 1 29 29 THR C C 43 173.713 173.713 172.878 0.835 18393
152 1 . 1 1 29 29 THR CA C 43 62.117 62.117 61.726 0.391 18393
153 1 . 1 1 29 29 THR CB C 43 70.104 70.104 70.837 -0.733 18393
154 1 . 1 1 29 29 THR H H 43 8.949 8.949 9.058 -0.109 18393
155 1 . 1 1 30 30 PHE N N 44 129.592 129.592 126.579 3.013 18393
156 1 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.987 0.408 18393
157 1 . 1 1 30 30 PHE C C 44 173.221 173.221 172.806 0.415 18393
158 1 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.100 0.323 18393
159 1 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.611 1.306 18393
160 1 . 1 1 30 30 PHE H H 44 10.048 10.048 8.814 1.234 18393
161 1 . 1 1 31 31 GLY N N 45 105.921 105.921 109.312 -3.391 18393
162 1 . 1 1 31 31 GLY C C 45 172.774 172.774 171.641 1.133 18393
163 1 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.355 0.183 18393
164 1 . 1 1 31 31 GLY H H 45 9.290 9.290 7.850 1.440 18393
165 1 . 1 1 32 32 VAL N N 46 121.311 121.311 121.377 -0.066 18393
166 1 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.694 0.656 18393
167 1 . 1 1 32 32 VAL C C 46 171.140 171.140 174.759 -3.619 18393
168 1 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.469 -0.637 18393
169 1 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.307 2.080 18393
170 1 . 1 1 32 32 VAL H H 46 8.906 8.906 7.853 1.053 18393
171 1 . 1 1 33 33 ARG N N 47 122.102 122.102 120.960 1.142 18393
172 1 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.118 -0.547 18393
173 1 . 1 1 33 33 ARG C C 47 173.683 173.683 174.479 -0.796 18393
174 1 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.551 0.407 18393
175 1 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.933 1.783 18393
176 1 . 1 1 33 33 ARG H H 47 8.008 8.008 7.867 0.141 18393
177 1 . 1 1 34 34 VAL N N 48 117.391 117.391 120.494 -3.103 18393
178 1 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.508 0.279 18393
179 1 . 1 1 34 34 VAL C C 48 172.777 172.777 173.623 -0.846 18393
180 1 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.326 -0.356 18393
181 1 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.107 0.205 18393
182 1 . 1 1 34 34 VAL H H 48 8.103 8.103 9.127 -1.024 18393
183 1 . 1 1 35 35 ASN N N 49 127.065 127.065 121.922 5.143 18393
184 1 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.382 -0.846 18393
185 1 . 1 1 35 35 ASN C C 49 174.221 174.221 174.127 0.094 18393
186 1 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.545 -0.938 18393
187 1 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.806 -3.064 18393
188 1 . 1 1 35 35 ASN H H 49 8.543 8.543 8.617 -0.074 18393
189 1 . 1 1 36 36 THR N N 50 114.402 114.402 115.814 -1.412 18393
190 1 . 1 1 36 36 THR HA H 50 2.159 2.159 2.935 -0.776 18393
191 1 . 1 1 36 36 THR C C 50 175.168 175.168 175.494 -0.326 18393
192 1 . 1 1 36 36 THR CA C 50 61.126 61.126 61.379 -0.253 18393
193 1 . 1 1 36 36 THR CB C 50 69.987 69.987 68.775 1.212 18393
194 1 . 1 1 36 36 THR H H 50 6.801 6.801 7.801 -1.000 18393
195 1 . 1 1 37 37 SER N N 51 114.587 114.587 120.656 -6.069 18393
196 1 . 1 1 37 37 SER HA H 51 4.105 4.105 4.019 0.086 18393
197 1 . 1 1 37 37 SER C C 51 174.760 174.760 174.891 -0.131 18393
198 1 . 1 1 37 37 SER CA C 51 59.958 59.958 61.327 -1.369 18393
199 1 . 1 1 37 37 SER CB C 51 63.115 63.115 63.130 -0.014 18393
200 1 . 1 1 37 37 SER H H 51 6.797 6.797 8.499 -1.702 18393
201 1 . 1 1 38 38 ASP N N 52 117.329 117.329 118.021 -0.692 18393
202 1 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.584 0.005 18393
203 1 . 1 1 38 38 ASP C C 52 177.236 177.236 176.616 0.620 18393
204 1 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.803 -0.253 18393
205 1 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.860 -0.254 18393
206 1 . 1 1 38 38 ASP H H 52 8.784 8.784 8.210 0.574 18393
207 1 . 1 1 39 39 ARG N N 53 118.330 118.330 119.021 -0.691 18393
208 1 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.506 -0.010 18393
209 1 . 1 1 39 39 ARG C C 53 176.062 176.062 176.153 -0.091 18393
210 1 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.028 -0.978 18393
211 1 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.367 -1.926 18393
212 1 . 1 1 39 39 ARG H H 53 7.666 7.666 7.983 -0.317 18393
213 1 . 1 1 40 40 GLY N N 54 110.510 110.510 107.159 3.351 18393
214 1 . 1 1 40 40 GLY C C 54 177.680 177.680 172.550 5.130 18393
215 1 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.223 0.454 18393
216 1 . 1 1 40 40 GLY H H 54 7.248 7.248 7.842 -0.594 18393
217 1 . 1 1 41 41 TRP N N 55 123.328 123.328 123.268 0.060 18393
218 1 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.753 0.166 18393
219 1 . 1 1 41 41 TRP C C 55 178.873 178.873 177.411 1.462 18393
220 1 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.523 0.593 18393
221 1 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.467 0.307 18393
222 1 . 1 1 41 41 TRP H H 55 8.289 8.289 8.293 -0.004 18393
223 1 . 1 1 42 42 THR N N 56 114.627 114.627 117.896 -3.269 18393
224 1 . 1 1 42 42 THR HA H 56 4.329 4.329 4.319 0.010 18393
225 1 . 1 1 42 42 THR C C 56 175.261 175.261 174.641 0.620 18393
226 1 . 1 1 42 42 THR CA C 56 61.698 61.698 61.444 0.254 18393
227 1 . 1 1 42 42 THR CB C 56 72.359 72.359 69.909 2.450 18393
228 1 . 1 1 42 42 THR H H 56 8.972 8.972 8.562 0.410 18393
229 1 . 1 1 43 43 ASP N N 57 120.151 120.151 120.812 -0.661 18393
230 1 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.442 0.003 18393
231 1 . 1 1 43 43 ASP C C 57 175.710 175.710 176.323 -0.613 18393
232 1 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.672 0.705 18393
233 1 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.206 -0.334 18393
234 1 . 1 1 43 43 ASP H H 57 8.379 8.379 8.385 -0.006 18393
235 1 . 1 1 44 44 GLU N N 58 122.449 122.449 123.264 -0.815 18393
236 1 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.484 -0.019 18393
237 1 . 1 1 44 44 GLU C C 58 176.412 176.412 176.712 -0.300 18393
238 1 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.798 -1.328 18393
239 1 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.983 1.075 18393
240 1 . 1 1 44 44 GLU H H 58 8.581 8.581 8.563 0.018 18393
241 1 . 1 1 45 45 CYS N N 59 126.725 126.725 127.223 -0.498 18393
242 1 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.499 0.196 18393
243 1 . 1 1 45 45 CYS C C 59 173.364 173.364 174.136 -0.772 18393
244 1 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.734 1.186 18393
245 1 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.086 3.599 18393
246 1 . 1 1 45 45 CYS H H 59 8.671 8.671 8.820 -0.149 18393
247 1 . 1 1 46 46 ILE N N 60 126.614 126.614 126.856 -0.242 18393
248 1 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.277 0.416 18393
249 1 . 1 1 46 46 ILE C C 60 176.175 176.175 176.824 -0.649 18393
250 1 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.651 0.125 18393
251 1 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.615 0.731 18393
252 1 . 1 1 46 46 ILE H H 60 8.735 8.735 8.040 0.695 18393
253 1 . 1 1 47 47 GLY N N 61 112.366 112.366 116.829 -4.463 18393
254 1 . 1 1 47 47 GLY C C 61 171.844 171.844 173.527 -1.683 18393
255 1 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.216 0.067 18393
256 1 . 1 1 47 47 GLY H H 61 8.610 8.610 8.736 -0.126 18393
257 1 . 1 1 48 48 GLU N N 62 115.030 115.030 120.087 -5.057 18393
258 1 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.638 -0.093 18393
259 1 . 1 1 48 48 GLU C C 62 174.927 174.927 174.703 0.224 18393
260 1 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.020 -0.138 18393
261 1 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.996 0.353 18393
262 1 . 1 1 48 48 GLU H H 62 8.214 8.214 8.117 0.098 18393
263 1 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.483 0.381 18393
264 1 . 1 1 49 49 PRO C C 63 178.286 178.286 176.104 2.182 18393
265 1 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.562 -1.302 18393
266 1 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.605 -0.338 18393
267 1 . 1 1 50 50 MET N N 64 123.505 123.505 124.652 -1.147 18393
268 1 . 1 1 50 50 MET HA H 64 5.530 5.530 4.943 0.587 18393
269 1 . 1 1 50 50 MET C C 64 176.337 176.337 174.910 1.427 18393
270 1 . 1 1 50 50 MET CA C 64 51.674 51.674 51.532 0.142 18393
271 1 . 1 1 50 50 MET CB C 64 37.597 37.597 33.956 3.641 18393
272 1 . 1 1 50 50 MET H H 64 9.267 9.267 8.852 0.415 18393
273 1 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.389 0.697 18393
274 1 . 1 1 51 51 PRO C C 65 174.862 174.862 175.755 -0.893 18393
275 1 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.106 0.560 18393
276 1 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.563 0.964 18393
277 1 . 1 1 52 52 SER N N 66 109.598 109.598 112.415 -2.817 18393
278 1 . 1 1 52 52 SER HA H 66 4.813 4.813 4.850 -0.037 18393
279 1 . 1 1 52 52 SER C C 66 173.368 173.368 174.582 -1.214 18393
280 1 . 1 1 52 52 SER CA C 66 55.463 55.463 56.672 -1.209 18393
281 1 . 1 1 52 52 SER CB C 66 66.775 66.775 66.169 0.606 18393
282 1 . 1 1 52 52 SER H H 66 7.165 7.165 7.322 -0.157 18393
283 1 . 1 1 53 53 VAL N N 67 124.347 124.347 124.194 0.153 18393
284 1 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.825 -0.996 18393
285 1 . 1 1 53 53 VAL C C 67 177.116 177.116 176.923 0.193 18393
286 1 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.073 1.756 18393
287 1 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.570 -0.246 18393
288 1 . 1 1 53 53 VAL H H 67 8.522 8.522 8.776 -0.254 18393
289 1 . 1 1 54 54 LYS N N 68 118.639 118.639 119.902 -1.263 18393
290 1 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.036 -0.567 18393
291 1 . 1 1 54 54 LYS C C 68 178.286 178.286 178.506 -0.220 18393
292 1 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.530 0.820 18393
293 1 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.049 0.315 18393
294 1 . 1 1 54 54 LYS H H 68 8.098 8.098 8.096 0.001 18393
295 1 . 1 1 55 55 LYS N N 69 115.388 115.388 118.283 -2.895 18393
296 1 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.347 -0.253 18393
297 1 . 1 1 55 55 LYS C C 69 179.694 179.694 178.540 1.154 18393
298 1 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.439 0.389 18393
299 1 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.128 0.711 18393
300 1 . 1 1 55 55 LYS H H 69 7.499 7.499 7.662 -0.163 18393
301 1 . 1 1 56 56 ALA N N 70 124.226 124.226 124.521 -0.295 18393
302 1 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.182 -0.033 18393
303 1 . 1 1 56 56 ALA C C 70 181.217 181.217 179.555 1.662 18393
304 1 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.314 0.402 18393
305 1 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.531 1.979 18393
306 1 . 1 1 56 56 ALA H H 70 8.296 8.296 8.039 0.257 18393
307 1 . 1 1 57 57 LYS N N 71 120.522 120.522 118.215 2.307 18393
308 1 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.072 -0.429 18393
309 1 . 1 1 57 57 LYS C C 71 177.937 177.937 178.815 -0.878 18393
310 1 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.987 1.100 18393
311 1 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.855 0.273 18393
312 1 . 1 1 57 57 LYS H H 71 8.385 8.385 7.576 0.809 18393
313 1 . 1 1 58 58 ASP N N 72 119.428 119.428 119.490 -0.062 18393
314 1 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.417 -0.111 18393
315 1 . 1 1 58 58 ASP C C 72 177.042 177.042 178.678 -1.635 18393
316 1 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.540 0.600 18393
317 1 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.673 -0.548 18393
318 1 . 1 1 58 58 ASP H H 72 8.029 8.029 7.865 0.164 18393
319 1 . 1 1 59 59 SER N N 73 111.435 111.435 115.543 -4.108 18393
320 1 . 1 1 59 59 SER HA H 73 4.243 4.243 4.173 0.070 18393
321 1 . 1 1 59 59 SER C C 73 177.000 177.000 176.507 0.493 18393
322 1 . 1 1 59 59 SER CA C 73 63.579 63.579 61.606 1.973 18393
323 1 . 1 1 59 59 SER CB C 73 60.947 60.947 63.027 -2.080 18393
324 1 . 1 1 59 59 SER H H 73 7.785 7.785 8.178 -0.393 18393
325 1 . 1 1 60 60 ALA N N 74 120.363 120.363 123.906 -3.543 18393
326 1 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.020 -0.057 18393
327 1 . 1 1 60 60 ALA C C 74 178.170 178.170 179.366 -1.196 18393
328 1 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.900 0.598 18393
329 1 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.385 -0.474 18393
330 1 . 1 1 60 60 ALA H H 74 7.472 7.472 7.755 -0.283 18393
331 1 . 1 1 61 61 ALA N N 75 118.116 118.116 121.641 -3.525 18393
332 1 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.090 -0.142 18393
333 1 . 1 1 61 61 ALA C C 75 179.341 179.341 179.530 -0.189 18393
334 1 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.228 0.432 18393
335 1 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.458 0.484 18393
336 1 . 1 1 61 61 ALA H H 75 8.653 8.653 8.567 0.086 18393
337 1 . 1 1 62 62 VAL N N 76 115.858 115.858 117.822 -1.964 18393
338 1 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.740 -0.084 18393
339 1 . 1 1 62 62 VAL C C 76 178.051 178.051 177.849 0.202 18393
340 1 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.273 0.378 18393
341 1 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.537 0.310 18393
342 1 . 1 1 62 62 VAL H H 76 8.124 8.124 7.816 0.308 18393
343 1 . 1 1 63 63 LEU N N 77 119.881 119.881 118.841 1.040 18393
344 1 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.185 0.004 18393
345 1 . 1 1 63 63 LEU C C 77 179.692 179.692 179.193 0.499 18393
346 1 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.074 0.510 18393
347 1 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.644 0.272 18393
348 1 . 1 1 63 63 LEU H H 77 7.038 7.038 7.330 -0.292 18393
349 1 . 1 1 64 64 LEU N N 78 122.083 122.083 121.840 0.243 18393
350 1 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.126 0.402 18393
351 1 . 1 1 64 64 LEU C C 78 178.601 178.601 178.631 -0.030 18393
352 1 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.814 -0.356 18393
353 1 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.983 -0.729 18393
354 1 . 1 1 64 64 LEU H H 78 7.694 7.694 8.100 -0.406 18393
355 1 . 1 1 65 65 LEU N N 79 120.548 120.548 118.245 2.303 18393
356 1 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.031 -0.167 18393
357 1 . 1 1 65 65 LEU C C 79 178.861 178.861 178.850 0.011 18393
358 1 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.051 0.426 18393
359 1 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.244 0.374 18393
360 1 . 1 1 65 65 LEU H H 79 8.671 8.671 8.416 0.255 18393
361 1 . 1 1 66 66 GLU N N 80 117.398 117.398 117.739 -0.341 18393
362 1 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.109 -0.050 18393
363 1 . 1 1 66 66 GLU C C 80 178.957 178.957 178.416 0.541 18393
364 1 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.657 0.679 18393
365 1 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.481 -0.100 18393
366 1 . 1 1 66 66 GLU H H 80 7.613 7.613 7.534 0.079 18393
367 1 . 1 1 67 67 LEU N N 81 120.633 120.633 120.622 0.011 18393
368 1 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.121 0.039 18393
369 1 . 1 1 67 67 LEU C C 81 180.162 180.162 179.033 1.129 18393
370 1 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.597 0.516 18393
371 1 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.259 -0.202 18393
372 1 . 1 1 67 67 LEU H H 81 7.656 7.656 7.453 0.203 18393
373 1 . 1 1 68 68 LEU N N 82 118.949 118.949 118.172 0.777 18393
374 1 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.227 -0.064 18393
375 1 . 1 1 68 68 LEU C C 82 178.289 178.289 178.364 -0.075 18393
376 1 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.040 0.815 18393
377 1 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.070 0.948 18393
378 1 . 1 1 68 68 LEU H H 82 8.583 8.583 8.448 0.135 18393
379 1 . 1 1 69 69 ASN N N 83 116.570 116.570 116.270 0.300 18393
380 1 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.705 0.024 18393
381 1 . 1 1 69 69 ASN C C 83 174.784 174.784 175.272 -0.488 18393
382 1 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.876 -0.137 18393
383 1 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.133 0.015 18393
384 1 . 1 1 69 69 ASN H H 83 7.920 7.920 7.738 0.182 18393
385 1 . 1 1 70 70 LYS N N 84 120.363 120.363 119.337 1.026 18393
386 1 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.518 -0.114 18393
387 1 . 1 1 70 70 LYS C C 84 175.910 175.910 175.026 0.883 18393
388 1 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.771 1.066 18393
389 1 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.838 0.161 18393
390 1 . 1 1 70 70 LYS H H 84 7.593 7.593 7.760 -0.167 18393
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