data_18107
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18107
_Entry.PDB_ID 2LM9
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 18107
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 THR HA H 19 4.222 4.222 3.962 0.260 18107
2 1 1 . 1 1 2 2 THR CA C 19 63.013 63.013 65.212 -2.199 18107
3 1 1 . 1 1 2 2 THR CB C 19 69.504 69.504 69.081 0.423 18107
4 1 1 . 1 1 3 3 ALA N N 20 125.065 125.065 124.057 1.008 18107
5 1 1 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.744 0.406 18107
6 1 1 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.614 0.343 18107
7 1 1 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.953 1.044 18107
8 1 1 . 1 1 3 3 ALA H H 20 8.404 8.404 8.272 0.132 18107
9 1 1 . 1 1 4 4 THR N N 21 109.840 109.840 111.305 -1.465 18107
10 1 1 . 1 1 4 4 THR HA H 21 4.235 4.235 3.936 0.299 18107
11 1 1 . 1 1 4 4 THR CA C 21 64.668 64.668 64.738 -0.070 18107
12 1 1 . 1 1 4 4 THR CB C 21 68.923 68.923 68.096 0.827 18107
13 1 1 . 1 1 4 4 THR H H 21 7.910 7.910 7.863 0.047 18107
14 1 1 . 1 1 5 5 GLN N N 22 122.037 122.037 119.444 2.593 18107
15 1 1 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.904 0.147 18107
16 1 1 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.623 -0.459 18107
17 1 1 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.693 -0.136 18107
18 1 1 . 1 1 5 5 GLN H H 22 7.953 7.953 7.645 0.308 18107
19 1 1 . 1 1 6 6 ARG N N 23 118.944 118.944 119.003 -0.059 18107
20 1 1 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.152 -0.046 18107
21 1 1 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.439 -0.347 18107
22 1 1 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.422 -0.275 18107
23 1 1 . 1 1 6 6 ARG H H 23 7.922 7.922 7.498 0.424 18107
24 1 1 . 1 1 7 7 PHE N N 24 116.543 116.543 115.244 1.299 18107
25 1 1 . 1 1 7 7 PHE H H 24 8.276 8.276 7.364 0.912 18107
26 1 1 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.694 -0.199 18107
27 1 1 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.722 1.298 18107
28 1 1 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.013 -0.961 18107
29 1 1 . 1 1 9 9 GLU N N 26 118.298 118.298 120.321 -2.023 18107
30 1 1 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.100 -0.110 18107
31 1 1 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.764 -0.386 18107
32 1 1 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.116 0.196 18107
33 1 1 . 1 1 9 9 GLU H H 26 8.148 8.148 8.539 -0.391 18107
34 1 1 . 1 1 10 10 ILE N N 27 121.761 121.761 117.546 4.215 18107
35 1 1 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.582 0.382 18107
36 1 1 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.588 -2.125 18107
37 1 1 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.736 -0.486 18107
38 1 1 . 1 1 10 10 ILE H H 27 8.165 8.165 8.175 -0.010 18107
39 1 1 . 1 1 11 11 GLU N N 28 122.042 122.042 120.326 1.716 18107
40 1 1 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.989 -0.152 18107
41 1 1 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.680 0.948 18107
42 1 1 . 1 1 11 11 GLU CB C 28 30.006 30.006 28.980 1.026 18107
43 1 1 . 1 1 11 11 GLU H H 28 8.541 8.541 8.257 0.284 18107
44 1 1 . 1 1 12 12 LYS N N 29 117.967 117.967 119.419 -1.452 18107
45 1 1 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.055 -0.113 18107
46 1 1 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.472 0.269 18107
47 1 1 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.258 0.195 18107
48 1 1 . 1 1 12 12 LYS H H 29 7.517 7.517 7.798 -0.281 18107
49 1 1 . 1 1 13 13 PHE N N 30 122.144 122.144 120.008 2.136 18107
50 1 1 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.296 0.133 18107
51 1 1 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.182 -0.395 18107
52 1 1 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.618 0.593 18107
53 1 1 . 1 1 13 13 PHE H H 30 8.066 8.066 8.031 0.035 18107
54 1 1 . 1 1 14 14 LEU N N 31 119.404 119.404 119.004 0.400 18107
55 1 1 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.955 -0.221 18107
56 1 1 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.003 -0.239 18107
57 1 1 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.362 0.074 18107
58 1 1 . 1 1 14 14 LEU H H 31 8.739 8.739 8.154 0.585 18107
59 1 1 . 1 1 15 15 LEU N N 32 121.073 121.073 117.795 3.278 18107
60 1 1 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.128 -0.168 18107
61 1 1 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.217 0.116 18107
62 1 1 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.387 0.575 18107
63 1 1 . 1 1 15 15 LEU H H 32 7.736 7.736 7.682 0.054 18107
64 1 1 . 1 1 16 16 HIS N N 33 118.629 118.629 118.909 -0.280 18107
65 1 1 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.357 -0.011 18107
66 1 1 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.393 -0.748 18107
67 1 1 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.768 -0.467 18107
68 1 1 . 1 1 16 16 HIS H H 33 7.681 7.681 8.248 -0.567 18107
69 1 1 . 1 1 17 17 ILE N N 34 118.602 118.602 119.938 -1.336 18107
70 1 1 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.744 0.061 18107
71 1 1 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.731 -1.224 18107
72 1 1 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.247 -0.802 18107
73 1 1 . 1 1 17 17 ILE H H 34 8.502 8.502 8.861 -0.359 18107
74 1 1 . 1 1 18 18 THR N N 35 117.776 117.776 116.164 1.612 18107
75 1 1 . 1 1 18 18 THR HA H 35 4.116 4.116 3.941 0.175 18107
76 1 1 . 1 1 18 18 THR CA C 35 68.694 68.694 66.666 2.028 18107
77 1 1 . 1 1 18 18 THR CB C 35 68.694 68.694 68.106 0.588 18107
78 1 1 . 1 1 18 18 THR H H 35 7.726 7.726 7.831 -0.105 18107
79 1 1 . 1 1 19 19 HIS N N 36 118.130 118.130 120.401 -2.271 18107
80 1 1 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.232 0.169 18107
81 1 1 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.944 -1.158 18107
82 1 1 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.659 -0.589 18107
83 1 1 . 1 1 19 19 HIS H H 36 7.177 7.177 7.783 -0.606 18107
84 1 1 . 1 1 20 20 GLU N N 37 119.301 119.301 118.311 0.990 18107
85 1 1 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.085 -0.034 18107
86 1 1 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.333 0.224 18107
87 1 1 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.357 0.699 18107
88 1 1 . 1 1 20 20 GLU H H 37 7.335 7.335 7.777 -0.442 18107
89 1 1 . 1 1 21 21 VAL N N 38 122.744 122.744 120.221 2.523 18107
90 1 1 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.633 -0.211 18107
91 1 1 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.476 0.573 18107
92 1 1 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.406 -0.033 18107
93 1 1 . 1 1 21 21 VAL H H 38 8.385 8.385 7.697 0.688 18107
94 1 1 . 1 1 22 22 ASP N N 39 120.471 120.471 119.907 0.564 18107
95 1 1 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.391 -0.244 18107
96 1 1 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.433 0.293 18107
97 1 1 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.449 -0.062 18107
98 1 1 . 1 1 22 22 ASP H H 39 8.054 8.054 7.780 0.274 18107
99 1 1 . 1 1 23 23 ASP N N 40 118.541 118.541 120.039 -1.498 18107
100 1 1 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.409 0.011 18107
101 1 1 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.477 0.010 18107
102 1 1 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.287 -0.113 18107
103 1 1 . 1 1 23 23 ASP H H 40 7.587 7.587 7.765 -0.178 18107
104 1 1 . 1 1 24 24 LEU N N 41 123.241 123.241 116.835 6.406 18107
105 1 1 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.166 0.002 18107
106 1 1 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.246 -0.539 18107
107 1 1 . 1 1 24 24 LEU CB C 41 41.909 41.909 40.949 0.960 18107
108 1 1 . 1 1 24 24 LEU H H 41 8.032 8.032 8.303 -0.271 18107
109 1 1 . 1 1 25 25 GLU N N 42 117.508 117.508 119.947 -2.439 18107
110 1 1 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.005 -0.085 18107
111 1 1 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.379 -0.297 18107
112 1 1 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.728 0.135 18107
113 1 1 . 1 1 25 25 GLU H H 42 8.010 8.010 8.451 -0.442 18107
114 1 1 . 1 1 26 26 LYS N N 43 117.032 117.032 115.219 1.813 18107
115 1 1 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.347 -0.104 18107
116 1 1 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.716 0.535 18107
117 1 1 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.379 1.128 18107
118 1 1 . 1 1 26 26 LYS H H 43 7.596 7.596 7.684 -0.088 18107
119 1 1 . 1 1 27 27 THR N N 44 110.288 110.288 112.569 -2.281 18107
120 1 1 . 1 1 27 27 THR HA H 44 4.271 4.271 4.418 -0.147 18107
121 1 1 . 1 1 27 27 THR CA C 44 62.820 62.820 63.420 -0.600 18107
122 1 1 . 1 1 27 27 THR CB C 44 70.733 70.733 70.133 0.600 18107
123 1 1 . 1 1 27 27 THR H H 44 8.227 8.227 7.260 0.967 18107
124 1 1 . 1 1 28 28 GLY N N 45 112.257 112.257 108.223 4.034 18107
125 1 1 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.090 0.571 18107
126 1 1 . 1 1 28 28 GLY H H 45 8.727 8.727 8.230 0.497 18107
127 1 1 . 1 1 29 29 ASN N N 46 118.416 118.416 117.531 0.885 18107
128 1 1 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.330 0.139 18107
129 1 1 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.565 0.732 18107
130 1 1 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.676 2.433 18107
131 1 1 . 1 1 29 29 ASN H H 46 7.716 7.716 8.012 -0.296 18107
132 1 1 . 1 1 30 30 LYS N N 47 126.481 126.481 118.159 8.322 18107
133 1 1 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.082 -0.094 18107
134 1 1 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.517 0.674 18107
135 1 1 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.461 0.052 18107
136 1 1 . 1 1 30 30 LYS H H 47 8.770 8.770 8.281 0.489 18107
137 1 1 . 1 1 31 31 ASP N N 48 121.710 121.710 114.382 7.328 18107
138 1 1 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.782 -0.315 18107
139 1 1 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.327 3.308 18107
140 1 1 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.084 -0.640 18107
141 1 1 . 1 1 31 31 ASP H H 48 8.229 8.229 8.000 0.229 18107
142 1 1 . 1 1 32 32 GLU N N 49 121.695 121.695 121.432 0.263 18107
143 1 1 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.191 0.166 18107
144 1 1 . 1 1 32 32 GLU H H 49 8.048 8.048 8.555 -0.507 18107
145 1 1 . 1 1 33 33 LYS N N 50 120.099 120.099 119.553 0.546 18107
146 1 1 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.953 -0.302 18107
147 1 1 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.788 0.049 18107
148 1 1 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.838 1.129 18107
149 1 1 . 1 1 33 33 LYS H H 50 7.975 7.975 8.502 -0.527 18107
150 1 1 . 1 1 34 34 ALA N N 51 118.238 118.238 120.691 -2.453 18107
151 1 1 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.024 -0.035 18107
152 1 1 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.131 0.262 18107
153 1 1 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.286 -0.074 18107
154 1 1 . 1 1 34 34 ALA H H 51 7.614 7.614 8.333 -0.719 18107
155 1 1 . 1 1 35 35 ARG N N 52 120.311 120.311 118.785 1.526 18107
156 1 1 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.065 1.826 18107
157 1 1 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.539 0.511 18107
158 1 1 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.547 -0.136 18107
159 1 1 . 1 1 35 35 ARG H H 52 7.883 7.883 7.640 0.243 18107
160 1 1 . 1 1 36 36 LEU N N 53 119.541 119.541 119.537 0.004 18107
161 1 1 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.176 -0.230 18107
162 1 1 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.267 0.221 18107
163 1 1 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.258 1.184 18107
164 1 1 . 1 1 36 36 LEU H H 53 8.553 8.553 8.619 -0.066 18107
165 1 1 . 1 1 37 37 LEU N N 54 117.789 117.789 120.544 -2.755 18107
166 1 1 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.876 0.189 18107
167 1 1 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.229 0.413 18107
168 1 1 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.360 -0.041 18107
169 1 1 . 1 1 37 37 LEU H H 54 8.341 8.341 8.424 -0.083 18107
170 1 1 . 1 1 38 38 ARG N N 55 121.176 121.176 118.964 2.212 18107
171 1 1 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.061 0.007 18107
172 1 1 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.267 1.058 18107
173 1 1 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.985 0.085 18107
174 1 1 . 1 1 38 38 ARG H H 55 7.864 7.864 7.834 0.030 18107
175 1 1 . 1 1 39 39 GLU N N 56 119.256 119.256 120.477 -1.221 18107
176 1 1 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.131 -0.071 18107
177 1 1 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.424 0.470 18107
178 1 1 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.335 0.566 18107
179 1 1 . 1 1 39 39 GLU H H 56 8.390 8.390 7.740 0.650 18107
180 1 1 . 1 1 40 40 LEU N N 57 120.312 120.312 117.986 2.326 18107
181 1 1 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.231 -0.103 18107
182 1 1 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.433 0.188 18107
183 1 1 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.378 0.851 18107
184 1 1 . 1 1 40 40 LEU H H 57 8.802 8.802 8.236 0.566 18107
185 1 1 . 1 1 41 41 THR N N 58 117.791 117.791 117.521 0.270 18107
186 1 1 . 1 1 41 41 THR HA H 58 4.341 4.341 4.118 0.223 18107
187 1 1 . 1 1 41 41 THR CA C 58 67.542 67.542 66.898 0.644 18107
188 1 1 . 1 1 41 41 THR CB C 58 69.157 69.157 68.794 0.363 18107
189 1 1 . 1 1 41 41 THR H H 58 8.182 8.182 7.843 0.339 18107
190 1 1 . 1 1 42 42 VAL N N 59 123.554 123.554 121.350 2.204 18107
191 1 1 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.496 0.227 18107
192 1 1 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.772 0.083 18107
193 1 1 . 1 1 42 42 VAL H H 59 7.978 7.978 8.242 -0.264 18107
194 1 1 . 1 1 43 43 SER N N 60 116.859 116.859 114.970 1.889 18107
195 1 1 . 1 1 43 43 SER HA H 60 4.155 4.155 1.832 2.323 18107
196 1 1 . 1 1 43 43 SER CA C 60 63.412 63.412 61.060 2.352 18107
197 1 1 . 1 1 43 43 SER H H 60 7.715 7.715 7.603 0.112 18107
198 1 1 . 1 1 44 44 GLU N N 61 124.072 124.072 120.912 3.160 18107
199 1 1 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.842 -0.216 18107
200 1 1 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.961 1.541 18107
201 1 1 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.561 0.233 18107
202 1 1 . 1 1 44 44 GLU H H 61 8.517 8.517 8.107 0.410 18107
203 1 1 . 1 1 45 45 ALA N N 62 120.467 120.467 122.011 -1.544 18107
204 1 1 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.077 0.072 18107
205 1 1 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.019 0.207 18107
206 1 1 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.190 -0.345 18107
207 1 1 . 1 1 45 45 ALA H H 62 7.853 7.853 7.559 0.294 18107
208 1 1 . 1 1 46 46 PHE N N 63 119.936 119.936 116.119 3.817 18107
209 1 1 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.260 0.005 18107
210 1 1 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.455 3.081 18107
211 1 1 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.470 1.722 18107
212 1 1 . 1 1 46 46 PHE H H 63 7.946 7.946 6.962 0.984 18107
213 1 1 . 1 1 47 47 ILE N N 64 122.630 122.630 120.878 1.752 18107
214 1 1 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.570 0.050 18107
215 1 1 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.792 2.566 18107
216 1 1 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.073 1.308 18107
217 1 1 . 1 1 47 47 ILE H H 64 8.595 8.595 7.898 0.697 18107
218 1 1 . 1 1 48 48 GLU N N 65 120.257 120.257 119.727 0.530 18107
219 1 1 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.000 0.589 18107
220 1 1 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.357 -0.001 18107
221 1 1 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.788 0.813 18107
222 1 1 . 1 1 48 48 GLU H H 65 9.078 9.078 8.159 0.919 18107
223 1 1 . 1 1 49 49 GLY N N 66 108.368 108.368 107.705 0.663 18107
224 1 1 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.673 0.480 18107
225 1 1 . 1 1 49 49 GLY H H 66 8.379 8.379 8.216 0.163 18107
226 1 1 . 1 1 50 50 SER N N 67 119.358 119.358 118.614 0.744 18107
227 1 1 . 1 1 50 50 SER HA H 67 3.988 3.988 4.183 -0.195 18107
228 1 1 . 1 1 50 50 SER CA C 67 62.501 62.501 61.757 0.744 18107
229 1 1 . 1 1 50 50 SER CB C 67 63.441 63.441 63.222 0.219 18107
230 1 1 . 1 1 50 50 SER H H 67 7.694 7.694 8.006 -0.312 18107
231 1 1 . 1 1 51 51 ARG N N 68 121.212 121.212 119.739 1.473 18107
232 1 1 . 1 1 51 51 ARG HA H 68 3.908 3.908 3.202 0.706 18107
233 1 1 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.662 2.379 18107
234 1 1 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.275 1.482 18107
235 1 1 . 1 1 51 51 ARG H H 68 8.684 8.684 7.990 0.694 18107
236 1 1 . 1 1 52 52 GLY N N 69 124.556 124.556 106.960 17.596 18107
237 1 1 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.466 0.797 18107
238 1 1 . 1 1 52 52 GLY H H 69 8.068 8.068 8.013 0.055 18107
239 1 1 . 1 1 53 53 TYR N N 70 123.123 123.123 123.553 -0.430 18107
240 1 1 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.156 -0.087 18107
241 1 1 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.033 -0.213 18107
242 1 1 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.553 -0.806 18107
243 1 1 . 1 1 53 53 TYR H H 70 7.337 7.337 7.434 -0.097 18107
244 1 1 . 1 1 54 54 PHE N N 71 117.809 117.809 117.444 0.365 18107
245 1 1 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.243 -0.576 18107
246 1 1 . 1 1 54 54 PHE CA C 71 60.489 60.489 58.530 1.959 18107
247 1 1 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.097 1.652 18107
248 1 1 . 1 1 54 54 PHE H H 71 7.965 7.965 7.365 0.600 18107
249 1 1 . 1 1 55 55 GLN N N 72 115.519 115.519 118.265 -2.746 18107
250 1 1 . 1 1 55 55 GLN HA H 72 3.858 3.858 3.887 -0.029 18107
251 1 1 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.119 0.489 18107
252 1 1 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.498 0.498 18107
253 1 1 . 1 1 55 55 GLN H H 72 8.522 8.522 7.675 0.847 18107
254 1 1 . 1 1 56 56 ARG N N 73 118.947 118.947 118.123 0.824 18107
255 1 1 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.052 -0.180 18107
256 1 1 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.123 1.798 18107
257 1 1 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.262 0.824 18107
258 1 1 . 1 1 56 56 ARG H H 73 7.677 7.677 7.325 0.352 18107
259 1 1 . 1 1 57 57 GLU N N 74 121.204 121.204 121.331 -0.127 18107
260 1 1 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.976 -0.294 18107
261 1 1 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.198 -0.264 18107
262 1 1 . 1 1 57 57 GLU CB C 74 29.693 29.693 29.135 0.558 18107
263 1 1 . 1 1 57 57 GLU H H 74 7.897 7.897 8.187 -0.290 18107
264 1 1 . 1 1 58 58 LEU N N 75 115.348 115.348 119.266 -3.918 18107
265 1 1 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.085 -0.025 18107
266 1 1 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.574 -0.680 18107
267 1 1 . 1 1 58 58 LEU CB C 75 42.330 42.330 41.653 0.677 18107
268 1 1 . 1 1 58 58 LEU H H 75 7.746 7.746 7.610 0.136 18107
269 1 1 . 1 1 59 59 LYS N N 76 117.429 117.429 119.056 -1.627 18107
270 1 1 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.109 0.091 18107
271 1 1 . 1 1 59 59 LYS CA C 76 56.608 56.608 58.135 -1.527 18107
272 1 1 . 1 1 59 59 LYS CB C 76 32.883 32.883 31.864 1.019 18107
273 1 1 . 1 1 59 59 LYS H H 76 7.233 7.233 8.134 -0.901 18107
274 1 1 . 1 1 60 60 ARG N N 77 120.555 120.555 119.584 0.971 18107
275 1 1 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.127 -0.001 18107
276 1 1 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.440 -0.741 18107
277 1 1 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.369 1.429 18107
278 1 1 . 1 1 60 60 ARG H H 77 7.701 7.701 8.442 -0.741 18107
279 1 1 . 1 1 61 61 THR N N 78 111.768 111.768 108.984 2.784 18107
280 1 1 . 1 1 61 61 THR HA H 78 4.414 4.414 3.953 0.461 18107
281 1 1 . 1 1 61 61 THR CA C 78 62.557 62.557 65.145 -2.588 18107
282 1 1 . 1 1 61 61 THR CB C 78 69.221 69.221 67.310 1.911 18107
283 1 1 . 1 1 61 61 THR H H 78 8.638 8.638 7.884 0.754 18107
284 1 1 . 1 1 62 62 ASP N N 79 120.616 120.616 122.381 -1.765 18107
285 1 1 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.771 -0.139 18107
286 1 1 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.889 -1.927 18107
287 1 1 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.620 -1.374 18107
288 1 1 . 1 1 62 62 ASP H H 79 8.465 8.465 8.289 0.176 18107
289 1 1 . 1 1 63 63 LEU N N 80 120.063 120.063 119.388 0.675 18107
290 1 1 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.204 0.041 18107
291 1 1 . 1 1 63 63 LEU CA C 80 55.212 55.212 55.479 -0.267 18107
292 1 1 . 1 1 63 63 LEU CB C 80 43.795 43.795 42.445 1.350 18107
293 1 1 . 1 1 63 63 LEU H H 80 7.157 7.157 8.216 -1.059 18107
294 1 1 . 1 1 64 64 ASP N N 81 125.396 125.396 121.248 4.148 18107
295 1 1 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.918 -0.349 18107
296 1 1 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.279 0.698 18107
297 1 1 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.898 -0.098 18107
298 1 1 . 1 1 64 64 ASP H H 81 8.926 8.926 8.092 0.834 18107
299 1 1 . 1 1 65 65 LEU N N 82 122.508 122.508 122.078 0.430 18107
300 1 1 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.113 -0.275 18107
301 1 1 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.047 0.774 18107
302 1 1 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.898 0.297 18107
303 1 1 . 1 1 65 65 LEU H H 82 8.281 8.281 8.611 -0.330 18107
304 1 1 . 1 1 66 66 LEU N N 83 119.413 119.413 118.902 0.511 18107
305 1 1 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.929 0.143 18107
306 1 1 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.148 -0.120 18107
307 1 1 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.847 0.504 18107
308 1 1 . 1 1 66 66 LEU H H 83 8.149 8.149 7.892 0.257 18107
309 1 1 . 1 1 67 67 GLU N N 84 119.941 119.941 118.498 1.443 18107
310 1 1 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.592 0.254 18107
311 1 1 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.657 -1.134 18107
312 1 1 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.284 0.928 18107
313 1 1 . 1 1 67 67 GLU H H 84 7.725 7.725 7.573 0.152 18107
314 1 1 . 1 1 68 68 LYS N N 85 119.400 119.400 119.391 0.009 18107
315 1 1 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.938 -0.137 18107
316 1 1 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.203 1.617 18107
317 1 1 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.416 0.499 18107
318 1 1 . 1 1 68 68 LYS H H 85 8.117 8.117 7.771 0.346 18107
319 1 1 . 1 1 69 69 PHE N N 86 117.969 117.969 119.876 -1.907 18107
320 1 1 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.105 0.184 18107
321 1 1 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.629 -0.760 18107
322 1 1 . 1 1 69 69 PHE CB C 86 38.755 38.755 39.100 -0.345 18107
323 1 1 . 1 1 69 69 PHE H H 86 7.975 7.975 8.406 -0.431 18107
324 1 1 . 1 1 70 70 ASN N N 87 118.904 118.904 118.353 0.551 18107
325 1 1 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.301 0.060 18107
326 1 1 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.627 -0.359 18107
327 1 1 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.632 -0.534 18107
328 1 1 . 1 1 70 70 ASN H H 87 8.259 8.259 7.700 0.559 18107
329 1 1 . 1 1 71 71 PHE N N 88 121.068 121.068 118.343 2.725 18107
330 1 1 . 1 1 71 71 PHE HA H 88 4.266 4.266 4.031 0.235 18107
331 1 1 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.707 1.080 18107
332 1 1 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.750 0.280 18107
333 1 1 . 1 1 71 71 PHE H H 88 8.618 8.618 7.427 1.191 18107
334 1 1 . 1 1 72 72 GLU N N 89 120.500 120.500 120.464 0.036 18107
335 1 1 . 1 1 72 72 GLU HA H 89 3.853 3.853 4.044 -0.191 18107
336 1 1 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.305 1.192 18107
337 1 1 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.331 0.180 18107
338 1 1 . 1 1 72 72 GLU H H 89 8.709 8.709 8.627 0.082 18107
339 1 1 . 1 1 73 73 ALA N N 90 123.117 123.117 121.781 1.336 18107
340 1 1 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.098 -0.060 18107
341 1 1 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.791 0.210 18107
342 1 1 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.224 -0.277 18107
343 1 1 . 1 1 73 73 ALA H H 90 8.158 8.158 8.047 0.111 18107
344 1 1 . 1 1 74 74 ALA N N 91 122.919 122.919 121.181 1.738 18107
345 1 1 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.095 -0.144 18107
346 1 1 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.481 0.798 18107
347 1 1 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.059 -0.393 18107
348 1 1 . 1 1 74 74 ALA H H 91 7.841 7.841 8.175 -0.334 18107
349 1 1 . 1 1 75 75 LEU N N 92 119.956 119.956 119.806 0.150 18107
350 1 1 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.180 -0.133 18107
351 1 1 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.307 0.152 18107
352 1 1 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.933 0.226 18107
353 1 1 . 1 1 75 75 LEU H H 92 8.091 8.091 8.707 -0.616 18107
354 1 1 . 1 1 76 76 ALA N N 93 120.763 120.763 120.866 -0.103 18107
355 1 1 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.135 -0.005 18107
356 1 1 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.276 0.128 18107
357 1 1 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.167 -0.297 18107
358 1 1 . 1 1 76 76 ALA H H 93 7.774 7.774 7.933 -0.159 18107
359 1 1 . 1 1 77 77 THR N N 94 117.510 117.510 115.974 1.536 18107
360 1 1 . 1 1 77 77 THR HA H 94 4.234 4.234 4.080 0.154 18107
361 1 1 . 1 1 77 77 THR CA C 94 67.364 67.364 67.264 0.100 18107
362 1 1 . 1 1 77 77 THR CB C 94 68.779 68.779 69.000 -0.221 18107
363 1 1 . 1 1 77 77 THR H H 94 8.188 8.188 7.817 0.371 18107
364 1 1 . 1 1 78 78 GLY N N 95 110.009 110.009 109.615 0.394 18107
365 1 1 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.815 1.335 18107
366 1 1 . 1 1 78 78 GLY H H 95 8.547 8.547 8.988 -0.441 18107
367 1 1 . 1 1 79 79 ASP N N 96 121.634 121.634 122.671 -1.037 18107
368 1 1 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.445 -0.177 18107
369 1 1 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.800 1.136 18107
370 1 1 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.712 -0.072 18107
371 1 1 . 1 1 79 79 ASP H H 96 8.548 8.548 8.413 0.135 18107
372 1 1 . 1 1 80 80 LEU N N 97 122.599 122.599 119.482 3.117 18107
373 1 1 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.066 -0.058 18107
374 1 1 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.641 0.801 18107
375 1 1 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.246 -0.317 18107
376 1 1 . 1 1 80 80 LEU H H 97 7.618 7.618 7.706 -0.088 18107
377 1 1 . 1 1 81 81 LEU N N 98 119.913 119.913 117.737 2.176 18107
378 1 1 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.238 -0.207 18107
379 1 1 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.897 -0.089 18107
380 1 1 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.368 0.993 18107
381 1 1 . 1 1 81 81 LEU H H 98 8.224 8.224 7.764 0.460 18107
382 1 1 . 1 1 82 82 LEU N N 99 118.616 118.616 120.915 -2.299 18107
383 1 1 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.862 0.113 18107
384 1 1 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.902 0.167 18107
385 1 1 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.633 0.532 18107
386 1 1 . 1 1 82 82 LEU H H 99 8.359 8.359 8.624 -0.265 18107
387 1 1 . 1 1 83 83 LYS N N 100 118.988 118.988 119.383 -0.395 18107
388 1 1 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.964 -0.080 18107
389 1 1 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.771 0.496 18107
390 1 1 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.061 0.110 18107
391 1 1 . 1 1 83 83 LYS H H 100 7.566 7.566 7.819 -0.253 18107
392 1 1 . 1 1 84 84 ASP N N 101 121.591 121.591 120.911 0.680 18107
393 1 1 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.451 -0.054 18107
394 1 1 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.524 0.172 18107
395 1 1 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.024 -0.619 18107
396 1 1 . 1 1 84 84 ASP H H 101 7.743 7.743 7.756 -0.013 18107
397 1 1 . 1 1 85 85 LEU N N 102 123.215 123.215 120.744 2.471 18107
398 1 1 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.902 -0.052 18107
399 1 1 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.462 1.379 18107
400 1 1 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.855 0.717 18107
401 1 1 . 1 1 85 85 LEU H H 102 8.760 8.760 8.380 0.381 18107
402 1 1 . 1 1 86 86 LYS N N 103 119.648 119.648 119.263 0.385 18107
403 1 1 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.994 0.074 18107
404 1 1 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.122 -0.330 18107
405 1 1 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.215 -1.083 18107
406 1 1 . 1 1 86 86 LYS H H 103 8.883 8.883 7.820 1.063 18107
407 1 1 . 1 1 87 87 ALA N N 104 122.844 122.844 121.635 1.209 18107
408 1 1 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.145 0.015 18107
409 1 1 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.808 0.492 18107
410 1 1 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.197 -0.177 18107
411 1 1 . 1 1 87 87 ALA H H 104 7.721 7.721 7.634 0.087 18107
412 1 1 . 1 1 88 88 LEU N N 105 120.380 120.380 118.625 1.755 18107
413 1 1 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.049 -0.057 18107
414 1 1 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.076 0.110 18107
415 1 1 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.220 1.584 18107
416 1 1 . 1 1 88 88 LEU H H 105 7.762 7.762 8.139 -0.377 18107
417 1 1 . 1 1 89 89 GLN N N 106 118.781 118.781 119.585 -0.804 18107
418 1 1 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.902 -0.317 18107
419 1 1 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.622 0.355 18107
420 1 1 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.520 1.107 18107
421 1 1 . 1 1 89 89 GLN H H 106 8.658 8.658 8.084 0.574 18107
422 1 1 . 1 1 90 90 LYS N N 107 118.977 118.977 119.833 -0.856 18107
423 1 1 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.039 -0.091 18107
424 1 1 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.434 0.061 18107
425 1 1 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.101 0.322 18107
426 1 1 . 1 1 90 90 LYS H H 107 7.786 7.786 7.693 0.093 18107
427 1 1 . 1 1 91 91 ARG N N 108 117.470 117.470 120.204 -2.734 18107
428 1 1 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.052 -0.049 18107
429 1 1 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.442 0.140 18107
430 1 1 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.307 1.321 18107
431 1 1 . 1 1 91 91 ARG H H 108 7.469 7.469 7.666 -0.197 18107
432 1 1 . 1 1 92 92 VAL N N 109 117.865 117.865 119.325 -1.460 18107
433 1 1 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.682 -0.200 18107
434 1 1 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.021 0.590 18107
435 1 1 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.775 0.436 18107
436 1 1 . 1 1 92 92 VAL H H 109 8.084 8.084 8.538 -0.454 18107
437 1 1 . 1 1 93 93 GLN N N 110 119.617 119.617 118.313 1.304 18107
438 1 1 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.078 -0.202 18107
439 1 1 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.417 0.817 18107
440 1 1 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.286 0.738 18107
441 1 1 . 1 1 93 93 GLN H H 110 8.512 8.512 8.404 0.108 18107
442 1 1 . 1 1 94 94 ASP N N 111 117.490 117.490 119.744 -2.254 18107
443 1 1 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.539 -0.048 18107
444 1 1 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.309 -1.028 18107
445 1 1 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.951 -0.116 18107
446 1 1 . 1 1 94 94 ASP H H 111 8.194 8.194 8.296 -0.102 18107
447 1 1 . 1 1 95 95 SER N N 112 116.625 116.625 114.288 2.337 18107
448 1 1 . 1 1 95 95 SER HA H 112 4.288 4.288 4.156 0.132 18107
449 1 1 . 1 1 95 95 SER CA C 112 59.770 59.770 60.819 -1.049 18107
450 1 1 . 1 1 95 95 SER CB C 112 63.990 63.990 63.469 0.521 18107
451 1 1 . 1 1 95 95 SER H H 112 7.479 7.479 7.746 -0.267 18107
452 1 2 . 1 1 2 2 THR HA H 19 4.222 4.222 4.100 0.122 18107
453 1 2 . 1 1 2 2 THR CA C 19 63.013 63.013 64.943 -1.930 18107
454 1 2 . 1 1 2 2 THR CB C 19 69.504 69.504 68.354 1.150 18107
455 1 2 . 1 1 3 3 ALA N N 20 125.065 125.065 124.425 0.640 18107
456 1 2 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.951 0.199 18107
457 1 2 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.104 -0.148 18107
458 1 2 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.073 0.924 18107
459 1 2 . 1 1 3 3 ALA H H 20 8.404 8.404 8.401 0.003 18107
460 1 2 . 1 1 4 4 THR N N 21 109.840 109.840 112.663 -2.823 18107
461 1 2 . 1 1 4 4 THR HA H 21 4.235 4.235 4.002 0.233 18107
462 1 2 . 1 1 4 4 THR CA C 21 64.668 64.668 65.290 -0.622 18107
463 1 2 . 1 1 4 4 THR CB C 21 68.923 68.923 67.176 1.747 18107
464 1 2 . 1 1 4 4 THR H H 21 7.910 7.910 8.301 -0.391 18107
465 1 2 . 1 1 5 5 GLN N N 22 122.037 122.037 120.157 1.880 18107
466 1 2 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.097 -0.046 18107
467 1 2 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.424 -0.260 18107
468 1 2 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.743 -0.186 18107
469 1 2 . 1 1 5 5 GLN H H 22 7.953 7.953 7.686 0.267 18107
470 1 2 . 1 1 6 6 ARG N N 23 118.944 118.944 119.358 -0.414 18107
471 1 2 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.088 0.018 18107
472 1 2 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.556 -0.465 18107
473 1 2 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.280 -0.133 18107
474 1 2 . 1 1 6 6 ARG H H 23 7.922 7.922 7.389 0.533 18107
475 1 2 . 1 1 7 7 PHE N N 24 116.543 116.543 115.222 1.321 18107
476 1 2 . 1 1 7 7 PHE H H 24 8.276 8.276 7.681 0.595 18107
477 1 2 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.629 -0.134 18107
478 1 2 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.082 1.938 18107
479 1 2 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.611 -0.559 18107
480 1 2 . 1 1 9 9 GLU N N 26 118.298 118.298 118.718 -0.420 18107
481 1 2 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.045 -0.055 18107
482 1 2 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.110 -0.732 18107
483 1 2 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.287 0.025 18107
484 1 2 . 1 1 9 9 GLU H H 26 8.148 8.148 8.650 -0.502 18107
485 1 2 . 1 1 10 10 ILE N N 27 121.761 121.761 117.697 4.064 18107
486 1 2 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.812 0.152 18107
487 1 2 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.019 -0.556 18107
488 1 2 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.740 0.510 18107
489 1 2 . 1 1 10 10 ILE H H 27 8.165 8.165 8.208 -0.043 18107
490 1 2 . 1 1 11 11 GLU N N 28 122.042 122.042 120.748 1.294 18107
491 1 2 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.063 -0.226 18107
492 1 2 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.230 0.398 18107
493 1 2 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.548 0.458 18107
494 1 2 . 1 1 11 11 GLU H H 28 8.541 8.541 8.475 0.066 18107
495 1 2 . 1 1 12 12 LYS N N 29 117.967 117.967 118.715 -0.748 18107
496 1 2 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.072 -0.130 18107
497 1 2 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.279 0.462 18107
498 1 2 . 1 1 12 12 LYS CB C 29 32.452 32.452 31.894 0.558 18107
499 1 2 . 1 1 12 12 LYS H H 29 7.517 7.517 8.147 -0.630 18107
500 1 2 . 1 1 13 13 PHE N N 30 122.144 122.144 120.403 1.741 18107
501 1 2 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.346 0.083 18107
502 1 2 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.266 -0.479 18107
503 1 2 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.766 0.445 18107
504 1 2 . 1 1 13 13 PHE H H 30 8.066 8.066 7.978 0.088 18107
505 1 2 . 1 1 14 14 LEU N N 31 119.404 119.404 119.754 -0.350 18107
506 1 2 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.928 -0.194 18107
507 1 2 . 1 1 14 14 LEU CA C 31 57.764 57.764 59.006 -1.242 18107
508 1 2 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.596 -0.160 18107
509 1 2 . 1 1 14 14 LEU H H 31 8.739 8.739 8.096 0.643 18107
510 1 2 . 1 1 15 15 LEU N N 32 121.073 121.073 118.075 2.998 18107
511 1 2 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.010 -0.050 18107
512 1 2 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.782 0.550 18107
513 1 2 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.870 1.092 18107
514 1 2 . 1 1 15 15 LEU H H 32 7.736 7.736 7.591 0.145 18107
515 1 2 . 1 1 16 16 HIS N N 33 118.629 118.629 118.491 0.138 18107
516 1 2 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.362 -0.016 18107
517 1 2 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.484 1.161 18107
518 1 2 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.879 0.422 18107
519 1 2 . 1 1 16 16 HIS H H 33 7.681 7.681 8.058 -0.377 18107
520 1 2 . 1 1 17 17 ILE N N 34 118.602 118.602 119.580 -0.978 18107
521 1 2 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.555 0.250 18107
522 1 2 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.058 -1.551 18107
523 1 2 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.042 -0.597 18107
524 1 2 . 1 1 17 17 ILE H H 34 8.502 8.502 8.697 -0.195 18107
525 1 2 . 1 1 18 18 THR N N 35 117.776 117.776 116.314 1.462 18107
526 1 2 . 1 1 18 18 THR HA H 35 4.116 4.116 3.905 0.211 18107
527 1 2 . 1 1 18 18 THR CA C 35 68.694 68.694 67.505 1.189 18107
528 1 2 . 1 1 18 18 THR CB C 35 68.694 68.694 68.709 -0.015 18107
529 1 2 . 1 1 18 18 THR H H 35 7.726 7.726 7.851 -0.125 18107
530 1 2 . 1 1 19 19 HIS N N 36 118.130 118.130 120.043 -1.913 18107
531 1 2 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.342 0.059 18107
532 1 2 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.658 0.128 18107
533 1 2 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.476 -0.406 18107
534 1 2 . 1 1 19 19 HIS H H 36 7.177 7.177 8.000 -0.823 18107
535 1 2 . 1 1 20 20 GLU N N 37 119.301 119.301 119.381 -0.080 18107
536 1 2 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.131 -0.081 18107
537 1 2 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.264 0.293 18107
538 1 2 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.456 0.600 18107
539 1 2 . 1 1 20 20 GLU H H 37 7.335 7.335 7.943 -0.608 18107
540 1 2 . 1 1 21 21 VAL N N 38 122.744 122.744 119.809 2.935 18107
541 1 2 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.604 -0.182 18107
542 1 2 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.347 0.702 18107
543 1 2 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.449 -0.076 18107
544 1 2 . 1 1 21 21 VAL H H 38 8.385 8.385 7.824 0.561 18107
545 1 2 . 1 1 22 22 ASP N N 39 120.471 120.471 120.429 0.042 18107
546 1 2 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.621 -0.474 18107
547 1 2 . 1 1 22 22 ASP CA C 39 57.726 57.726 56.973 0.753 18107
548 1 2 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.428 -0.041 18107
549 1 2 . 1 1 22 22 ASP H H 39 8.054 8.054 7.824 0.230 18107
550 1 2 . 1 1 23 23 ASP N N 40 118.541 118.541 120.258 -1.717 18107
551 1 2 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.366 0.054 18107
552 1 2 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.455 0.032 18107
553 1 2 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.996 0.178 18107
554 1 2 . 1 1 23 23 ASP H H 40 7.587 7.587 7.782 -0.195 18107
555 1 2 . 1 1 24 24 LEU N N 41 123.241 123.241 116.858 6.383 18107
556 1 2 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.222 -0.054 18107
557 1 2 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.952 -0.245 18107
558 1 2 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.279 0.630 18107
559 1 2 . 1 1 24 24 LEU H H 41 8.032 8.032 8.295 -0.263 18107
560 1 2 . 1 1 25 25 GLU N N 42 117.508 117.508 119.693 -2.185 18107
561 1 2 . 1 1 25 25 GLU HA H 42 3.920 3.920 3.999 -0.079 18107
562 1 2 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.357 -0.275 18107
563 1 2 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.731 0.132 18107
564 1 2 . 1 1 25 25 GLU H H 42 8.010 8.010 8.353 -0.343 18107
565 1 2 . 1 1 26 26 LYS N N 43 117.032 117.032 115.580 1.452 18107
566 1 2 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.323 -0.080 18107
567 1 2 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.726 0.525 18107
568 1 2 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.424 1.083 18107
569 1 2 . 1 1 26 26 LYS H H 43 7.596 7.596 7.720 -0.124 18107
570 1 2 . 1 1 27 27 THR N N 44 110.288 110.288 111.945 -1.657 18107
571 1 2 . 1 1 27 27 THR HA H 44 4.271 4.271 4.413 -0.142 18107
572 1 2 . 1 1 27 27 THR CA C 44 62.820 62.820 63.254 -0.434 18107
573 1 2 . 1 1 27 27 THR CB C 44 70.733 70.733 70.001 0.732 18107
574 1 2 . 1 1 27 27 THR H H 44 8.227 8.227 7.294 0.933 18107
575 1 2 . 1 1 28 28 GLY N N 45 112.257 112.257 107.490 4.767 18107
576 1 2 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.993 0.668 18107
577 1 2 . 1 1 28 28 GLY H H 45 8.727 8.727 8.278 0.449 18107
578 1 2 . 1 1 29 29 ASN N N 46 118.416 118.416 118.277 0.139 18107
579 1 2 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.359 0.110 18107
580 1 2 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.790 0.507 18107
581 1 2 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.334 2.776 18107
582 1 2 . 1 1 29 29 ASN H H 46 7.716 7.716 8.230 -0.514 18107
583 1 2 . 1 1 30 30 LYS N N 47 126.481 126.481 116.323 10.158 18107
584 1 2 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.135 -0.147 18107
585 1 2 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.516 0.675 18107
586 1 2 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.381 0.132 18107
587 1 2 . 1 1 30 30 LYS H H 47 8.770 8.770 8.202 0.568 18107
588 1 2 . 1 1 31 31 ASP N N 48 121.710 121.710 116.384 5.326 18107
589 1 2 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.890 -0.423 18107
590 1 2 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.117 3.518 18107
591 1 2 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.370 -0.926 18107
592 1 2 . 1 1 31 31 ASP H H 48 8.229 8.229 8.084 0.145 18107
593 1 2 . 1 1 32 32 GLU N N 49 121.695 121.695 121.794 -0.099 18107
594 1 2 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.160 0.197 18107
595 1 2 . 1 1 32 32 GLU H H 49 8.048 8.048 8.573 -0.525 18107
596 1 2 . 1 1 33 33 LYS N N 50 120.099 120.099 118.980 1.119 18107
597 1 2 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.925 -0.274 18107
598 1 2 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.756 0.081 18107
599 1 2 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.961 1.006 18107
600 1 2 . 1 1 33 33 LYS H H 50 7.975 7.975 8.511 -0.536 18107
601 1 2 . 1 1 34 34 ALA N N 51 118.238 118.238 119.727 -1.489 18107
602 1 2 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.019 -0.030 18107
603 1 2 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.972 0.421 18107
604 1 2 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.401 -0.189 18107
605 1 2 . 1 1 34 34 ALA H H 51 7.614 7.614 8.375 -0.761 18107
606 1 2 . 1 1 35 35 ARG N N 52 120.311 120.311 119.954 0.357 18107
607 1 2 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.118 1.773 18107
608 1 2 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.238 0.812 18107
609 1 2 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.398 0.013 18107
610 1 2 . 1 1 35 35 ARG H H 52 7.883 7.883 7.750 0.133 18107
611 1 2 . 1 1 36 36 LEU N N 53 119.541 119.541 119.217 0.324 18107
612 1 2 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.147 -0.201 18107
613 1 2 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.310 0.179 18107
614 1 2 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.358 1.084 18107
615 1 2 . 1 1 36 36 LEU H H 53 8.553 8.553 8.597 -0.044 18107
616 1 2 . 1 1 37 37 LEU N N 54 117.789 117.789 120.192 -2.403 18107
617 1 2 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.894 0.171 18107
618 1 2 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.934 0.708 18107
619 1 2 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.365 -0.046 18107
620 1 2 . 1 1 37 37 LEU H H 54 8.341 8.341 8.362 -0.021 18107
621 1 2 . 1 1 38 38 ARG N N 55 121.176 121.176 117.748 3.428 18107
622 1 2 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.136 -0.068 18107
623 1 2 . 1 1 38 38 ARG CA C 55 60.325 60.325 57.333 2.992 18107
624 1 2 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.021 1.049 18107
625 1 2 . 1 1 38 38 ARG H H 55 7.864 7.864 7.788 0.076 18107
626 1 2 . 1 1 39 39 GLU N N 56 119.256 119.256 120.572 -1.316 18107
627 1 2 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.168 -0.108 18107
628 1 2 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.396 0.498 18107
629 1 2 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.251 0.650 18107
630 1 2 . 1 1 39 39 GLU H H 56 8.390 8.390 7.674 0.716 18107
631 1 2 . 1 1 40 40 LEU N N 57 120.312 120.312 118.060 2.252 18107
632 1 2 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.408 -0.280 18107
633 1 2 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.770 0.850 18107
634 1 2 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.424 0.805 18107
635 1 2 . 1 1 40 40 LEU H H 57 8.802 8.802 8.126 0.676 18107
636 1 2 . 1 1 41 41 THR N N 58 117.791 117.791 117.431 0.360 18107
637 1 2 . 1 1 41 41 THR HA H 58 4.341 4.341 3.844 0.497 18107
638 1 2 . 1 1 41 41 THR CA C 58 67.542 67.542 67.352 0.190 18107
639 1 2 . 1 1 41 41 THR CB C 58 69.157 69.157 68.785 0.372 18107
640 1 2 . 1 1 41 41 THR H H 58 8.182 8.182 7.918 0.264 18107
641 1 2 . 1 1 42 42 VAL N N 59 123.554 123.554 120.759 2.795 18107
642 1 2 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.622 0.101 18107
643 1 2 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.448 1.407 18107
644 1 2 . 1 1 42 42 VAL H H 59 7.978 7.978 8.380 -0.402 18107
645 1 2 . 1 1 43 43 SER N N 60 116.859 116.859 114.166 2.693 18107
646 1 2 . 1 1 43 43 SER HA H 60 4.155 4.155 1.969 2.186 18107
647 1 2 . 1 1 43 43 SER CA C 60 63.412 63.412 61.026 2.385 18107
648 1 2 . 1 1 43 43 SER H H 60 7.715 7.715 7.679 0.036 18107
649 1 2 . 1 1 44 44 GLU N N 61 124.072 124.072 121.310 2.762 18107
650 1 2 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.725 -0.099 18107
651 1 2 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.999 1.502 18107
652 1 2 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.458 0.336 18107
653 1 2 . 1 1 44 44 GLU H H 61 8.517 8.517 8.145 0.372 18107
654 1 2 . 1 1 45 45 ALA N N 62 120.467 120.467 122.080 -1.613 18107
655 1 2 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.081 0.068 18107
656 1 2 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.005 0.221 18107
657 1 2 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.212 -0.367 18107
658 1 2 . 1 1 45 45 ALA H H 62 7.853 7.853 7.536 0.317 18107
659 1 2 . 1 1 46 46 PHE N N 63 119.936 119.936 117.007 2.929 18107
660 1 2 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.256 0.009 18107
661 1 2 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.719 2.817 18107
662 1 2 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.617 1.575 18107
663 1 2 . 1 1 46 46 PHE H H 63 7.946 7.946 7.044 0.902 18107
664 1 2 . 1 1 47 47 ILE N N 64 122.630 122.630 120.499 2.131 18107
665 1 2 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.662 -0.042 18107
666 1 2 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.358 2.000 18107
667 1 2 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.932 1.449 18107
668 1 2 . 1 1 47 47 ILE H H 64 8.595 8.595 8.144 0.451 18107
669 1 2 . 1 1 48 48 GLU N N 65 120.257 120.257 119.009 1.248 18107
670 1 2 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.941 0.648 18107
671 1 2 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.947 -0.591 18107
672 1 2 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.332 0.269 18107
673 1 2 . 1 1 48 48 GLU H H 65 9.078 9.078 8.109 0.969 18107
674 1 2 . 1 1 49 49 GLY N N 66 108.368 108.368 107.452 0.916 18107
675 1 2 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.576 0.577 18107
676 1 2 . 1 1 49 49 GLY H H 66 8.379 8.379 8.222 0.157 18107
677 1 2 . 1 1 50 50 SER N N 67 119.358 119.358 117.776 1.582 18107
678 1 2 . 1 1 50 50 SER HA H 67 3.988 3.988 4.045 -0.057 18107
679 1 2 . 1 1 50 50 SER CA C 67 62.501 62.501 61.199 1.302 18107
680 1 2 . 1 1 50 50 SER CB C 67 63.441 63.441 63.129 0.312 18107
681 1 2 . 1 1 50 50 SER H H 67 7.694 7.694 8.133 -0.439 18107
682 1 2 . 1 1 51 51 ARG N N 68 121.212 121.212 119.473 1.739 18107
683 1 2 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.241 -0.333 18107
684 1 2 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.783 2.258 18107
685 1 2 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.650 1.107 18107
686 1 2 . 1 1 51 51 ARG H H 68 8.684 8.684 8.069 0.615 18107
687 1 2 . 1 1 52 52 GLY N N 69 124.556 124.556 107.149 17.407 18107
688 1 2 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.659 0.604 18107
689 1 2 . 1 1 52 52 GLY H H 69 8.068 8.068 8.320 -0.252 18107
690 1 2 . 1 1 53 53 TYR N N 70 123.123 123.123 123.444 -0.321 18107
691 1 2 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.136 -0.067 18107
692 1 2 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.301 -0.481 18107
693 1 2 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.478 -0.731 18107
694 1 2 . 1 1 53 53 TYR H H 70 7.337 7.337 7.534 -0.197 18107
695 1 2 . 1 1 54 54 PHE N N 71 117.809 117.809 118.169 -0.360 18107
696 1 2 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.966 -0.299 18107
697 1 2 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.620 -0.131 18107
698 1 2 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.996 0.753 18107
699 1 2 . 1 1 54 54 PHE H H 71 7.965 7.965 7.577 0.388 18107
700 1 2 . 1 1 55 55 GLN N N 72 115.519 115.519 118.011 -2.492 18107
701 1 2 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.082 -0.224 18107
702 1 2 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.026 0.582 18107
703 1 2 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.234 0.762 18107
704 1 2 . 1 1 55 55 GLN H H 72 8.522 8.522 7.997 0.525 18107
705 1 2 . 1 1 56 56 ARG N N 73 118.947 118.947 119.500 -0.553 18107
706 1 2 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.040 -0.168 18107
707 1 2 . 1 1 56 56 ARG CA C 73 59.921 59.921 59.035 0.886 18107
708 1 2 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.842 0.244 18107
709 1 2 . 1 1 56 56 ARG H H 73 7.677 7.677 7.847 -0.170 18107
710 1 2 . 1 1 57 57 GLU N N 74 121.204 121.204 121.874 -0.670 18107
711 1 2 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.961 -0.279 18107
712 1 2 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.104 -0.170 18107
713 1 2 . 1 1 57 57 GLU CB C 74 29.693 29.693 29.058 0.635 18107
714 1 2 . 1 1 57 57 GLU H H 74 7.897 7.897 8.248 -0.351 18107
715 1 2 . 1 1 58 58 LEU N N 75 115.348 115.348 118.974 -3.626 18107
716 1 2 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.198 -0.138 18107
717 1 2 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.891 -0.997 18107
718 1 2 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.125 0.205 18107
719 1 2 . 1 1 58 58 LEU H H 75 7.746 7.746 7.783 -0.037 18107
720 1 2 . 1 1 59 59 LYS N N 76 117.429 117.429 117.110 0.319 18107
721 1 2 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.327 -0.127 18107
722 1 2 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.991 -0.383 18107
723 1 2 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.217 0.666 18107
724 1 2 . 1 1 59 59 LYS H H 76 7.233 7.233 7.807 -0.574 18107
725 1 2 . 1 1 60 60 ARG N N 77 120.555 120.555 120.497 0.058 18107
726 1 2 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.082 0.044 18107
727 1 2 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.677 -0.978 18107
728 1 2 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.402 1.396 18107
729 1 2 . 1 1 60 60 ARG H H 77 7.701 7.701 8.038 -0.337 18107
730 1 2 . 1 1 61 61 THR N N 78 111.768 111.768 107.583 4.185 18107
731 1 2 . 1 1 61 61 THR HA H 78 4.414 4.414 4.107 0.307 18107
732 1 2 . 1 1 61 61 THR CA C 78 62.557 62.557 64.319 -1.762 18107
733 1 2 . 1 1 61 61 THR CB C 78 69.221 69.221 67.539 1.682 18107
734 1 2 . 1 1 61 61 THR H H 78 8.638 8.638 8.170 0.468 18107
735 1 2 . 1 1 62 62 ASP N N 79 120.616 120.616 120.109 0.507 18107
736 1 2 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.840 -0.208 18107
737 1 2 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.469 -1.507 18107
738 1 2 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.485 -1.239 18107
739 1 2 . 1 1 62 62 ASP H H 79 8.465 8.465 8.566 -0.101 18107
740 1 2 . 1 1 63 63 LEU N N 80 120.063 120.063 116.743 3.320 18107
741 1 2 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.177 -0.932 18107
742 1 2 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.767 1.444 18107
743 1 2 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.875 -2.080 18107
744 1 2 . 1 1 63 63 LEU H H 80 7.157 7.157 7.470 -0.313 18107
745 1 2 . 1 1 64 64 ASP N N 81 125.396 125.396 121.807 3.589 18107
746 1 2 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.904 -0.335 18107
747 1 2 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.898 1.079 18107
748 1 2 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.288 -1.488 18107
749 1 2 . 1 1 64 64 ASP H H 81 8.926 8.926 8.135 0.791 18107
750 1 2 . 1 1 65 65 LEU N N 82 122.508 122.508 121.375 1.133 18107
751 1 2 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.135 -0.297 18107
752 1 2 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.931 0.890 18107
753 1 2 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.011 0.184 18107
754 1 2 . 1 1 65 65 LEU H H 82 8.281 8.281 8.317 -0.036 18107
755 1 2 . 1 1 66 66 LEU N N 83 119.413 119.413 120.125 -0.712 18107
756 1 2 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.095 -0.023 18107
757 1 2 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.374 -0.346 18107
758 1 2 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.265 1.086 18107
759 1 2 . 1 1 66 66 LEU H H 83 8.149 8.149 8.107 0.042 18107
760 1 2 . 1 1 67 67 GLU N N 84 119.941 119.941 118.118 1.823 18107
761 1 2 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.656 0.190 18107
762 1 2 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.331 -0.809 18107
763 1 2 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.146 1.066 18107
764 1 2 . 1 1 67 67 GLU H H 84 7.725 7.725 8.617 -0.892 18107
765 1 2 . 1 1 68 68 LYS N N 85 119.400 119.400 119.793 -0.393 18107
766 1 2 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.796 0.005 18107
767 1 2 . 1 1 68 68 LYS CA C 85 60.820 60.820 58.969 1.851 18107
768 1 2 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.135 0.780 18107
769 1 2 . 1 1 68 68 LYS H H 85 8.117 8.117 7.983 0.134 18107
770 1 2 . 1 1 69 69 PHE N N 86 117.969 117.969 118.892 -0.923 18107
771 1 2 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.091 0.198 18107
772 1 2 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.614 -0.745 18107
773 1 2 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.662 0.093 18107
774 1 2 . 1 1 69 69 PHE H H 86 7.975 7.975 8.097 -0.122 18107
775 1 2 . 1 1 70 70 ASN N N 87 118.904 118.904 118.364 0.540 18107
776 1 2 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.429 -0.068 18107
777 1 2 . 1 1 70 70 ASN CA C 87 56.268 56.268 55.743 0.525 18107
778 1 2 . 1 1 70 70 ASN CB C 87 38.098 38.098 37.934 0.164 18107
779 1 2 . 1 1 70 70 ASN H H 87 8.259 8.259 7.353 0.906 18107
780 1 2 . 1 1 71 71 PHE N N 88 121.068 121.068 118.925 2.143 18107
781 1 2 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.240 1.026 18107
782 1 2 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.160 1.627 18107
783 1 2 . 1 1 71 71 PHE CB C 88 38.030 38.030 36.961 1.069 18107
784 1 2 . 1 1 71 71 PHE H H 88 8.618 8.618 7.466 1.152 18107
785 1 2 . 1 1 72 72 GLU N N 89 120.500 120.500 119.394 1.106 18107
786 1 2 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.978 -0.125 18107
787 1 2 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.504 0.993 18107
788 1 2 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.084 0.427 18107
789 1 2 . 1 1 72 72 GLU H H 89 8.709 8.709 8.689 0.020 18107
790 1 2 . 1 1 73 73 ALA N N 90 123.117 123.117 122.167 0.950 18107
791 1 2 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.203 -0.165 18107
792 1 2 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.930 0.071 18107
793 1 2 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.144 -0.196 18107
794 1 2 . 1 1 73 73 ALA H H 90 8.158 8.158 8.023 0.135 18107
795 1 2 . 1 1 74 74 ALA N N 91 122.919 122.919 121.245 1.674 18107
796 1 2 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.211 -0.260 18107
797 1 2 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.633 0.645 18107
798 1 2 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.429 -0.763 18107
799 1 2 . 1 1 74 74 ALA H H 91 7.841 7.841 8.157 -0.316 18107
800 1 2 . 1 1 75 75 LEU N N 92 119.956 119.956 119.558 0.398 18107
801 1 2 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.189 -0.142 18107
802 1 2 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.039 0.420 18107
803 1 2 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.859 0.300 18107
804 1 2 . 1 1 75 75 LEU H H 92 8.091 8.091 8.454 -0.363 18107
805 1 2 . 1 1 76 76 ALA N N 93 120.763 120.763 120.974 -0.211 18107
806 1 2 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.143 -0.013 18107
807 1 2 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.342 0.062 18107
808 1 2 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.195 -0.325 18107
809 1 2 . 1 1 76 76 ALA H H 93 7.774 7.774 7.998 -0.224 18107
810 1 2 . 1 1 77 77 THR N N 94 117.510 117.510 115.998 1.512 18107
811 1 2 . 1 1 77 77 THR HA H 94 4.234 4.234 4.064 0.170 18107
812 1 2 . 1 1 77 77 THR CA C 94 67.364 67.364 67.900 -0.536 18107
813 1 2 . 1 1 77 77 THR CB C 94 68.779 68.779 68.825 -0.046 18107
814 1 2 . 1 1 77 77 THR H H 94 8.188 8.188 7.856 0.332 18107
815 1 2 . 1 1 78 78 GLY N N 95 110.009 110.009 109.327 0.682 18107
816 1 2 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.633 1.517 18107
817 1 2 . 1 1 78 78 GLY H H 95 8.547 8.547 8.785 -0.238 18107
818 1 2 . 1 1 79 79 ASP N N 96 121.634 121.634 123.193 -1.559 18107
819 1 2 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.396 -0.128 18107
820 1 2 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.689 0.247 18107
821 1 2 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.794 -0.154 18107
822 1 2 . 1 1 79 79 ASP H H 96 8.548 8.548 8.066 0.482 18107
823 1 2 . 1 1 80 80 LEU N N 97 122.599 122.599 119.777 2.822 18107
824 1 2 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.166 -0.158 18107
825 1 2 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.685 -0.243 18107
826 1 2 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.725 0.204 18107
827 1 2 . 1 1 80 80 LEU H H 97 7.618 7.618 7.652 -0.034 18107
828 1 2 . 1 1 81 81 LEU N N 98 119.913 119.913 118.025 1.888 18107
829 1 2 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.175 -0.144 18107
830 1 2 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.933 -0.125 18107
831 1 2 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.254 1.107 18107
832 1 2 . 1 1 81 81 LEU H H 98 8.224 8.224 7.759 0.465 18107
833 1 2 . 1 1 82 82 LEU N N 99 118.616 118.616 120.968 -2.352 18107
834 1 2 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.858 0.117 18107
835 1 2 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.893 0.176 18107
836 1 2 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.804 0.361 18107
837 1 2 . 1 1 82 82 LEU H H 99 8.359 8.359 8.547 -0.188 18107
838 1 2 . 1 1 83 83 LYS N N 100 118.988 118.988 117.670 1.318 18107
839 1 2 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.006 -0.122 18107
840 1 2 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.419 0.848 18107
841 1 2 . 1 1 83 83 LYS CB C 100 32.171 32.171 31.815 0.356 18107
842 1 2 . 1 1 83 83 LYS H H 100 7.566 7.566 8.143 -0.577 18107
843 1 2 . 1 1 84 84 ASP N N 101 121.591 121.591 121.260 0.331 18107
844 1 2 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.511 -0.114 18107
845 1 2 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.019 0.677 18107
846 1 2 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.595 -0.190 18107
847 1 2 . 1 1 84 84 ASP H H 101 7.743 7.743 8.126 -0.383 18107
848 1 2 . 1 1 85 85 LEU N N 102 123.215 123.215 120.374 2.841 18107
849 1 2 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.924 -0.074 18107
850 1 2 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.344 1.497 18107
851 1 2 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.830 0.742 18107
852 1 2 . 1 1 85 85 LEU H H 102 8.760 8.760 8.340 0.420 18107
853 1 2 . 1 1 86 86 LYS N N 103 119.648 119.648 117.979 1.669 18107
854 1 2 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.069 -0.001 18107
855 1 2 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.664 0.128 18107
856 1 2 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.185 -0.053 18107
857 1 2 . 1 1 86 86 LYS H H 103 8.883 8.883 7.766 1.117 18107
858 1 2 . 1 1 87 87 ALA N N 104 122.844 122.844 121.699 1.145 18107
859 1 2 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.182 -0.022 18107
860 1 2 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.716 0.584 18107
861 1 2 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.179 -0.159 18107
862 1 2 . 1 1 87 87 ALA H H 104 7.721 7.721 7.699 0.022 18107
863 1 2 . 1 1 88 88 LEU N N 105 120.380 120.380 118.543 1.837 18107
864 1 2 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.046 -0.054 18107
865 1 2 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.036 0.150 18107
866 1 2 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.189 1.615 18107
867 1 2 . 1 1 88 88 LEU H H 105 7.762 7.762 7.951 -0.189 18107
868 1 2 . 1 1 89 89 GLN N N 106 118.781 118.781 119.415 -0.634 18107
869 1 2 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.908 -0.323 18107
870 1 2 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.377 0.600 18107
871 1 2 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.526 1.101 18107
872 1 2 . 1 1 89 89 GLN H H 106 8.658 8.658 7.978 0.680 18107
873 1 2 . 1 1 90 90 LYS N N 107 118.977 118.977 118.707 0.270 18107
874 1 2 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.144 -0.196 18107
875 1 2 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.294 1.201 18107
876 1 2 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.670 0.753 18107
877 1 2 . 1 1 90 90 LYS H H 107 7.786 7.786 7.704 0.082 18107
878 1 2 . 1 1 91 91 ARG N N 108 117.470 117.470 120.557 -3.087 18107
879 1 2 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.133 -0.130 18107
880 1 2 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.409 0.173 18107
881 1 2 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.210 1.418 18107
882 1 2 . 1 1 91 91 ARG H H 108 7.469 7.469 7.649 -0.180 18107
883 1 2 . 1 1 92 92 VAL N N 109 117.865 117.865 119.554 -1.689 18107
884 1 2 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.667 -0.185 18107
885 1 2 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.953 0.658 18107
886 1 2 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.637 0.574 18107
887 1 2 . 1 1 92 92 VAL H H 109 8.084 8.084 8.357 -0.273 18107
888 1 2 . 1 1 93 93 GLN N N 110 119.617 119.617 117.862 1.755 18107
889 1 2 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.995 -0.119 18107
890 1 2 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.776 0.458 18107
891 1 2 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.823 0.201 18107
892 1 2 . 1 1 93 93 GLN H H 110 8.512 8.512 8.314 0.198 18107
893 1 2 . 1 1 94 94 ASP N N 111 117.490 117.490 119.749 -2.259 18107
894 1 2 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.550 -0.059 18107
895 1 2 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.260 -0.979 18107
896 1 2 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.752 0.083 18107
897 1 2 . 1 1 94 94 ASP H H 111 8.194 8.194 8.222 -0.028 18107
898 1 2 . 1 1 95 95 SER N N 112 116.625 116.625 114.066 2.559 18107
899 1 2 . 1 1 95 95 SER HA H 112 4.288 4.288 4.216 0.072 18107
900 1 2 . 1 1 95 95 SER CA C 112 59.770 59.770 60.945 -1.175 18107
901 1 2 . 1 1 95 95 SER CB C 112 63.990 63.990 63.599 0.391 18107
902 1 2 . 1 1 95 95 SER H H 112 7.479 7.479 7.656 -0.177 18107
903 1 3 . 1 1 2 2 THR HA H 19 4.222 4.222 4.140 0.082 18107
904 1 3 . 1 1 2 2 THR CA C 19 63.013 63.013 66.317 -3.304 18107
905 1 3 . 1 1 2 2 THR CB C 19 69.504 69.504 68.493 1.011 18107
906 1 3 . 1 1 3 3 ALA N N 20 125.065 125.065 122.894 2.171 18107
907 1 3 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.857 0.293 18107
908 1 3 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.860 0.096 18107
909 1 3 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.144 0.853 18107
910 1 3 . 1 1 3 3 ALA H H 20 8.404 8.404 8.463 -0.059 18107
911 1 3 . 1 1 4 4 THR N N 21 109.840 109.840 111.361 -1.521 18107
912 1 3 . 1 1 4 4 THR HA H 21 4.235 4.235 3.810 0.425 18107
913 1 3 . 1 1 4 4 THR CA C 21 64.668 64.668 64.711 -0.043 18107
914 1 3 . 1 1 4 4 THR CB C 21 68.923 68.923 67.868 1.055 18107
915 1 3 . 1 1 4 4 THR H H 21 7.910 7.910 8.114 -0.204 18107
916 1 3 . 1 1 5 5 GLN N N 22 122.037 122.037 118.943 3.094 18107
917 1 3 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.202 -0.151 18107
918 1 3 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.565 -0.401 18107
919 1 3 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.897 -0.340 18107
920 1 3 . 1 1 5 5 GLN H H 22 7.953 7.953 7.689 0.264 18107
921 1 3 . 1 1 6 6 ARG N N 23 118.944 118.944 119.352 -0.408 18107
922 1 3 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.103 0.003 18107
923 1 3 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.598 -0.506 18107
924 1 3 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.389 -0.242 18107
925 1 3 . 1 1 6 6 ARG H H 23 7.922 7.922 7.462 0.460 18107
926 1 3 . 1 1 7 7 PHE N N 24 116.543 116.543 114.104 2.439 18107
927 1 3 . 1 1 7 7 PHE H H 24 8.276 8.276 7.575 0.701 18107
928 1 3 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.787 -0.292 18107
929 1 3 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.941 2.079 18107
930 1 3 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.357 -1.305 18107
931 1 3 . 1 1 9 9 GLU N N 26 118.298 118.298 119.046 -0.748 18107
932 1 3 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.163 -0.173 18107
933 1 3 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.832 -0.454 18107
934 1 3 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.143 0.169 18107
935 1 3 . 1 1 9 9 GLU H H 26 8.148 8.148 8.668 -0.520 18107
936 1 3 . 1 1 10 10 ILE N N 27 121.761 121.761 118.066 3.695 18107
937 1 3 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.745 0.219 18107
938 1 3 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.467 -2.004 18107
939 1 3 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.684 -0.434 18107
940 1 3 . 1 1 10 10 ILE H H 27 8.165 8.165 8.256 -0.091 18107
941 1 3 . 1 1 11 11 GLU N N 28 122.042 122.042 120.982 1.060 18107
942 1 3 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.003 -0.166 18107
943 1 3 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.001 0.627 18107
944 1 3 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.526 0.480 18107
945 1 3 . 1 1 11 11 GLU H H 28 8.541 8.541 8.282 0.259 18107
946 1 3 . 1 1 12 12 LYS N N 29 117.967 117.967 119.069 -1.102 18107
947 1 3 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.091 -0.149 18107
948 1 3 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.496 0.245 18107
949 1 3 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.261 0.191 18107
950 1 3 . 1 1 12 12 LYS H H 29 7.517 7.517 8.201 -0.684 18107
951 1 3 . 1 1 13 13 PHE N N 30 122.144 122.144 119.418 2.726 18107
952 1 3 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.311 0.118 18107
953 1 3 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.572 -0.785 18107
954 1 3 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.876 0.335 18107
955 1 3 . 1 1 13 13 PHE H H 30 8.066 8.066 8.048 0.018 18107
956 1 3 . 1 1 14 14 LEU N N 31 119.404 119.404 119.816 -0.412 18107
957 1 3 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.021 -0.287 18107
958 1 3 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.785 -1.021 18107
959 1 3 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.422 0.014 18107
960 1 3 . 1 1 14 14 LEU H H 31 8.739 8.739 8.049 0.690 18107
961 1 3 . 1 1 15 15 LEU N N 32 121.073 121.073 118.098 2.975 18107
962 1 3 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.082 -0.122 18107
963 1 3 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.966 0.366 18107
964 1 3 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.897 1.065 18107
965 1 3 . 1 1 15 15 LEU H H 32 7.736 7.736 7.653 0.083 18107
966 1 3 . 1 1 16 16 HIS N N 33 118.629 118.629 119.763 -1.134 18107
967 1 3 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.259 0.087 18107
968 1 3 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.724 -0.079 18107
969 1 3 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.404 -0.103 18107
970 1 3 . 1 1 16 16 HIS H H 33 7.681 7.681 8.194 -0.513 18107
971 1 3 . 1 1 17 17 ILE N N 34 118.602 118.602 119.826 -1.224 18107
972 1 3 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.663 0.142 18107
973 1 3 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.222 -1.715 18107
974 1 3 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.143 -0.698 18107
975 1 3 . 1 1 17 17 ILE H H 34 8.502 8.502 8.677 -0.175 18107
976 1 3 . 1 1 18 18 THR N N 35 117.776 117.776 116.404 1.372 18107
977 1 3 . 1 1 18 18 THR HA H 35 4.116 4.116 3.865 0.251 18107
978 1 3 . 1 1 18 18 THR CA C 35 68.694 68.694 67.364 1.330 18107
979 1 3 . 1 1 18 18 THR CB C 35 68.694 68.694 68.729 -0.035 18107
980 1 3 . 1 1 18 18 THR H H 35 7.726 7.726 7.815 -0.089 18107
981 1 3 . 1 1 19 19 HIS N N 36 118.130 118.130 119.813 -1.683 18107
982 1 3 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.209 0.192 18107
983 1 3 . 1 1 19 19 HIS CA C 36 58.786 58.786 60.202 -1.416 18107
984 1 3 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.318 -0.248 18107
985 1 3 . 1 1 19 19 HIS H H 36 7.177 7.177 7.963 -0.786 18107
986 1 3 . 1 1 20 20 GLU N N 37 119.301 119.301 119.450 -0.149 18107
987 1 3 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.998 0.052 18107
988 1 3 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.110 0.447 18107
989 1 3 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.534 0.522 18107
990 1 3 . 1 1 20 20 GLU H H 37 7.335 7.335 7.833 -0.498 18107
991 1 3 . 1 1 21 21 VAL N N 38 122.744 122.744 119.066 3.678 18107
992 1 3 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.614 -0.192 18107
993 1 3 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.410 0.639 18107
994 1 3 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.473 -0.100 18107
995 1 3 . 1 1 21 21 VAL H H 38 8.385 8.385 7.717 0.668 18107
996 1 3 . 1 1 22 22 ASP N N 39 120.471 120.471 120.611 -0.140 18107
997 1 3 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.449 -0.302 18107
998 1 3 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.454 0.272 18107
999 1 3 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.223 0.164 18107
1000 1 3 . 1 1 22 22 ASP H H 39 8.054 8.054 7.797 0.257 18107
1001 1 3 . 1 1 23 23 ASP N N 40 118.541 118.541 120.090 -1.549 18107
1002 1 3 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.418 0.002 18107
1003 1 3 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.681 -0.194 18107
1004 1 3 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.002 0.172 18107
1005 1 3 . 1 1 23 23 ASP H H 40 7.587 7.587 7.821 -0.234 18107
1006 1 3 . 1 1 24 24 LEU N N 41 123.241 123.241 117.374 5.867 18107
1007 1 3 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.294 -0.126 18107
1008 1 3 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.923 -0.216 18107
1009 1 3 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.146 0.763 18107
1010 1 3 . 1 1 24 24 LEU H H 41 8.032 8.032 8.252 -0.220 18107
1011 1 3 . 1 1 25 25 GLU N N 42 117.508 117.508 120.001 -2.493 18107
1012 1 3 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.023 -0.103 18107
1013 1 3 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.375 -0.293 18107
1014 1 3 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.745 0.118 18107
1015 1 3 . 1 1 25 25 GLU H H 42 8.010 8.010 8.214 -0.204 18107
1016 1 3 . 1 1 26 26 LYS N N 43 117.032 117.032 115.127 1.905 18107
1017 1 3 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.363 -0.120 18107
1018 1 3 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.425 0.826 18107
1019 1 3 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.565 0.942 18107
1020 1 3 . 1 1 26 26 LYS H H 43 7.596 7.596 7.724 -0.128 18107
1021 1 3 . 1 1 27 27 THR N N 44 110.288 110.288 112.690 -2.402 18107
1022 1 3 . 1 1 27 27 THR HA H 44 4.271 4.271 4.428 -0.157 18107
1023 1 3 . 1 1 27 27 THR CA C 44 62.820 62.820 63.736 -0.916 18107
1024 1 3 . 1 1 27 27 THR CB C 44 70.733 70.733 70.257 0.476 18107
1025 1 3 . 1 1 27 27 THR H H 44 8.227 8.227 7.735 0.492 18107
1026 1 3 . 1 1 28 28 GLY N N 45 112.257 112.257 107.285 4.972 18107
1027 1 3 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.938 0.723 18107
1028 1 3 . 1 1 28 28 GLY H H 45 8.727 8.727 8.244 0.483 18107
1029 1 3 . 1 1 29 29 ASN N N 46 118.416 118.416 118.230 0.186 18107
1030 1 3 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.399 0.070 18107
1031 1 3 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.636 0.661 18107
1032 1 3 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.174 1.936 18107
1033 1 3 . 1 1 29 29 ASN H H 46 7.716 7.716 8.502 -0.786 18107
1034 1 3 . 1 1 30 30 LYS N N 47 126.481 126.481 118.197 8.284 18107
1035 1 3 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.156 -0.168 18107
1036 1 3 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.411 0.780 18107
1037 1 3 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.559 -0.046 18107
1038 1 3 . 1 1 30 30 LYS H H 47 8.770 8.770 8.607 0.163 18107
1039 1 3 . 1 1 31 31 ASP N N 48 121.710 121.710 112.187 9.523 18107
1040 1 3 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.763 -0.296 18107
1041 1 3 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.226 3.409 18107
1042 1 3 . 1 1 31 31 ASP CB C 48 40.444 40.444 40.877 -0.433 18107
1043 1 3 . 1 1 31 31 ASP H H 48 8.229 8.229 7.964 0.265 18107
1044 1 3 . 1 1 32 32 GLU N N 49 121.695 121.695 120.965 0.730 18107
1045 1 3 . 1 1 32 32 GLU HA H 49 4.357 4.357 3.975 0.382 18107
1046 1 3 . 1 1 32 32 GLU H H 49 8.048 8.048 8.617 -0.569 18107
1047 1 3 . 1 1 33 33 LYS N N 50 120.099 120.099 120.440 -0.341 18107
1048 1 3 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.978 -0.327 18107
1049 1 3 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.446 1.391 18107
1050 1 3 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.928 1.039 18107
1051 1 3 . 1 1 33 33 LYS H H 50 7.975 7.975 8.022 -0.047 18107
1052 1 3 . 1 1 34 34 ALA N N 51 118.238 118.238 120.505 -2.267 18107
1053 1 3 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.129 -0.140 18107
1054 1 3 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.017 0.377 18107
1055 1 3 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.153 0.059 18107
1056 1 3 . 1 1 34 34 ALA H H 51 7.614 7.614 8.315 -0.701 18107
1057 1 3 . 1 1 35 35 ARG N N 52 120.311 120.311 119.682 0.629 18107
1058 1 3 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.095 1.796 18107
1059 1 3 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.227 0.823 18107
1060 1 3 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.486 -0.075 18107
1061 1 3 . 1 1 35 35 ARG H H 52 7.883 7.883 7.952 -0.069 18107
1062 1 3 . 1 1 36 36 LEU N N 53 119.541 119.541 119.310 0.231 18107
1063 1 3 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.424 -0.478 18107
1064 1 3 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.895 0.594 18107
1065 1 3 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.473 0.969 18107
1066 1 3 . 1 1 36 36 LEU H H 53 8.553 8.553 8.517 0.036 18107
1067 1 3 . 1 1 37 37 LEU N N 54 117.789 117.789 120.311 -2.522 18107
1068 1 3 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.866 0.199 18107
1069 1 3 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.037 0.605 18107
1070 1 3 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.359 -0.040 18107
1071 1 3 . 1 1 37 37 LEU H H 54 8.341 8.341 7.871 0.470 18107
1072 1 3 . 1 1 38 38 ARG N N 55 121.176 121.176 118.280 2.896 18107
1073 1 3 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.114 -0.046 18107
1074 1 3 . 1 1 38 38 ARG CA C 55 60.325 60.325 57.818 2.507 18107
1075 1 3 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.225 0.845 18107
1076 1 3 . 1 1 38 38 ARG H H 55 7.864 7.864 7.963 -0.099 18107
1077 1 3 . 1 1 39 39 GLU N N 56 119.256 119.256 121.088 -1.832 18107
1078 1 3 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.143 -0.083 18107
1079 1 3 . 1 1 39 39 GLU CA C 56 59.894 59.894 60.046 -0.152 18107
1080 1 3 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.518 0.383 18107
1081 1 3 . 1 1 39 39 GLU H H 56 8.390 8.390 7.771 0.619 18107
1082 1 3 . 1 1 40 40 LEU N N 57 120.312 120.312 117.380 2.932 18107
1083 1 3 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.262 -0.134 18107
1084 1 3 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.094 0.527 18107
1085 1 3 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.449 0.780 18107
1086 1 3 . 1 1 40 40 LEU H H 57 8.802 8.802 8.010 0.792 18107
1087 1 3 . 1 1 41 41 THR N N 58 117.791 117.791 117.456 0.335 18107
1088 1 3 . 1 1 41 41 THR HA H 58 4.341 4.341 3.800 0.541 18107
1089 1 3 . 1 1 41 41 THR CA C 58 67.542 67.542 67.673 -0.131 18107
1090 1 3 . 1 1 41 41 THR CB C 58 69.157 69.157 68.652 0.505 18107
1091 1 3 . 1 1 41 41 THR H H 58 8.182 8.182 7.816 0.366 18107
1092 1 3 . 1 1 42 42 VAL N N 59 123.554 123.554 121.155 2.399 18107
1093 1 3 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.495 0.228 18107
1094 1 3 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.944 -0.089 18107
1095 1 3 . 1 1 42 42 VAL H H 59 7.978 7.978 8.323 -0.345 18107
1096 1 3 . 1 1 43 43 SER N N 60 116.859 116.859 114.307 2.552 18107
1097 1 3 . 1 1 43 43 SER HA H 60 4.155 4.155 0.988 3.167 18107
1098 1 3 . 1 1 43 43 SER CA C 60 63.412 63.412 60.862 2.550 18107
1099 1 3 . 1 1 43 43 SER H H 60 7.715 7.715 7.524 0.191 18107
1100 1 3 . 1 1 44 44 GLU N N 61 124.072 124.072 120.953 3.119 18107
1101 1 3 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.884 -0.258 18107
1102 1 3 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.065 1.438 18107
1103 1 3 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.478 0.316 18107
1104 1 3 . 1 1 44 44 GLU H H 61 8.517 8.517 8.124 0.393 18107
1105 1 3 . 1 1 45 45 ALA N N 62 120.467 120.467 121.919 -1.452 18107
1106 1 3 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.094 0.055 18107
1107 1 3 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.012 0.214 18107
1108 1 3 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.163 -0.318 18107
1109 1 3 . 1 1 45 45 ALA H H 62 7.853 7.853 7.638 0.215 18107
1110 1 3 . 1 1 46 46 PHE N N 63 119.936 119.936 118.001 1.935 18107
1111 1 3 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.141 0.124 18107
1112 1 3 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.831 2.705 18107
1113 1 3 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.347 1.845 18107
1114 1 3 . 1 1 46 46 PHE H H 63 7.946 7.946 7.215 0.731 18107
1115 1 3 . 1 1 47 47 ILE N N 64 122.630 122.630 119.649 2.981 18107
1116 1 3 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.280 0.340 18107
1117 1 3 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.412 1.946 18107
1118 1 3 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.526 1.855 18107
1119 1 3 . 1 1 47 47 ILE H H 64 8.595 8.595 7.800 0.795 18107
1120 1 3 . 1 1 48 48 GLU N N 65 120.257 120.257 119.657 0.600 18107
1121 1 3 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.938 0.651 18107
1122 1 3 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.536 -0.180 18107
1123 1 3 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.284 0.317 18107
1124 1 3 . 1 1 48 48 GLU H H 65 9.078 9.078 7.891 1.187 18107
1125 1 3 . 1 1 49 49 GLY N N 66 108.368 108.368 107.281 1.087 18107
1126 1 3 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.712 0.441 18107
1127 1 3 . 1 1 49 49 GLY H H 66 8.379 8.379 8.494 -0.115 18107
1128 1 3 . 1 1 50 50 SER N N 67 119.358 119.358 118.473 0.885 18107
1129 1 3 . 1 1 50 50 SER HA H 67 3.988 3.988 3.958 0.030 18107
1130 1 3 . 1 1 50 50 SER CA C 67 62.501 62.501 61.967 0.534 18107
1131 1 3 . 1 1 50 50 SER CB C 67 63.441 63.441 62.996 0.445 18107
1132 1 3 . 1 1 50 50 SER H H 67 7.694 7.694 8.252 -0.558 18107
1133 1 3 . 1 1 51 51 ARG N N 68 121.212 121.212 121.404 -0.192 18107
1134 1 3 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.212 -0.304 18107
1135 1 3 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.669 1.372 18107
1136 1 3 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.180 0.577 18107
1137 1 3 . 1 1 51 51 ARG H H 68 8.684 8.684 8.063 0.621 18107
1138 1 3 . 1 1 52 52 GLY N N 69 124.556 124.556 106.387 18.169 18107
1139 1 3 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.797 0.466 18107
1140 1 3 . 1 1 52 52 GLY H H 69 8.068 8.068 8.069 -0.001 18107
1141 1 3 . 1 1 53 53 TYR N N 70 123.123 123.123 123.357 -0.234 18107
1142 1 3 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.138 -0.069 18107
1143 1 3 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.152 -0.332 18107
1144 1 3 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.445 -0.698 18107
1145 1 3 . 1 1 53 53 TYR H H 70 7.337 7.337 7.635 -0.298 18107
1146 1 3 . 1 1 54 54 PHE N N 71 117.809 117.809 118.549 -0.740 18107
1147 1 3 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.944 -0.277 18107
1148 1 3 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.832 -0.343 18107
1149 1 3 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.044 0.705 18107
1150 1 3 . 1 1 54 54 PHE H H 71 7.965 7.965 7.591 0.374 18107
1151 1 3 . 1 1 55 55 GLN N N 72 115.519 115.519 118.396 -2.877 18107
1152 1 3 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.028 -0.170 18107
1153 1 3 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.021 0.587 18107
1154 1 3 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.794 0.202 18107
1155 1 3 . 1 1 55 55 GLN H H 72 8.522 8.522 7.946 0.576 18107
1156 1 3 . 1 1 56 56 ARG N N 73 118.947 118.947 117.699 1.248 18107
1157 1 3 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.103 -0.231 18107
1158 1 3 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.906 2.015 18107
1159 1 3 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.960 0.126 18107
1160 1 3 . 1 1 56 56 ARG H H 73 7.677 7.677 7.567 0.110 18107
1161 1 3 . 1 1 57 57 GLU N N 74 121.204 121.204 121.921 -0.717 18107
1162 1 3 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.967 -0.285 18107
1163 1 3 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.219 -0.285 18107
1164 1 3 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.961 0.732 18107
1165 1 3 . 1 1 57 57 GLU H H 74 7.897 7.897 8.209 -0.312 18107
1166 1 3 . 1 1 58 58 LEU N N 75 115.348 115.348 119.294 -3.946 18107
1167 1 3 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.158 -0.098 18107
1168 1 3 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.937 -1.043 18107
1169 1 3 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.068 0.262 18107
1170 1 3 . 1 1 58 58 LEU H H 75 7.746 7.746 7.820 -0.074 18107
1171 1 3 . 1 1 59 59 LYS N N 76 117.429 117.429 117.262 0.167 18107
1172 1 3 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.301 -0.101 18107
1173 1 3 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.913 0.695 18107
1174 1 3 . 1 1 59 59 LYS CB C 76 32.883 32.883 31.954 0.929 18107
1175 1 3 . 1 1 59 59 LYS H H 76 7.233 7.233 8.057 -0.824 18107
1176 1 3 . 1 1 60 60 ARG N N 77 120.555 120.555 120.207 0.348 18107
1177 1 3 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.043 0.083 18107
1178 1 3 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.896 -1.197 18107
1179 1 3 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.340 1.458 18107
1180 1 3 . 1 1 60 60 ARG H H 77 7.701 7.701 8.182 -0.481 18107
1181 1 3 . 1 1 61 61 THR N N 78 111.768 111.768 107.811 3.957 18107
1182 1 3 . 1 1 61 61 THR HA H 78 4.414 4.414 4.102 0.312 18107
1183 1 3 . 1 1 61 61 THR CA C 78 62.557 62.557 64.491 -1.934 18107
1184 1 3 . 1 1 61 61 THR CB C 78 69.221 69.221 67.847 1.374 18107
1185 1 3 . 1 1 61 61 THR H H 78 8.638 8.638 8.110 0.528 18107
1186 1 3 . 1 1 62 62 ASP N N 79 120.616 120.616 119.916 0.700 18107
1187 1 3 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.888 -0.256 18107
1188 1 3 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.327 -1.365 18107
1189 1 3 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.571 -1.325 18107
1190 1 3 . 1 1 62 62 ASP H H 79 8.465 8.465 8.543 -0.078 18107
1191 1 3 . 1 1 63 63 LEU N N 80 120.063 120.063 115.946 4.117 18107
1192 1 3 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.063 -0.818 18107
1193 1 3 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.883 1.329 18107
1194 1 3 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.563 -1.768 18107
1195 1 3 . 1 1 63 63 LEU H H 80 7.157 7.157 7.454 -0.296 18107
1196 1 3 . 1 1 64 64 ASP N N 81 125.396 125.396 121.833 3.563 18107
1197 1 3 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.955 -0.386 18107
1198 1 3 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.670 1.307 18107
1199 1 3 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.397 -1.597 18107
1200 1 3 . 1 1 64 64 ASP H H 81 8.926 8.926 8.207 0.719 18107
1201 1 3 . 1 1 65 65 LEU N N 82 122.508 122.508 120.850 1.658 18107
1202 1 3 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.089 -0.251 18107
1203 1 3 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.181 0.640 18107
1204 1 3 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.921 0.274 18107
1205 1 3 . 1 1 65 65 LEU H H 82 8.281 8.281 8.250 0.031 18107
1206 1 3 . 1 1 66 66 LEU N N 83 119.413 119.413 119.952 -0.539 18107
1207 1 3 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.993 0.079 18107
1208 1 3 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.402 -0.374 18107
1209 1 3 . 1 1 66 66 LEU CB C 83 41.351 41.351 41.150 0.201 18107
1210 1 3 . 1 1 66 66 LEU H H 83 8.149 8.149 7.768 0.381 18107
1211 1 3 . 1 1 67 67 GLU N N 84 119.941 119.941 117.836 2.105 18107
1212 1 3 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.633 0.213 18107
1213 1 3 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.496 -0.973 18107
1214 1 3 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.147 1.065 18107
1215 1 3 . 1 1 67 67 GLU H H 84 7.725 7.725 8.526 -0.801 18107
1216 1 3 . 1 1 68 68 LYS N N 85 119.400 119.400 120.016 -0.616 18107
1217 1 3 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.868 -0.067 18107
1218 1 3 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.232 1.588 18107
1219 1 3 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.453 0.462 18107
1220 1 3 . 1 1 68 68 LYS H H 85 8.117 8.117 8.185 -0.068 18107
1221 1 3 . 1 1 69 69 PHE N N 86 117.969 117.969 119.614 -1.645 18107
1222 1 3 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.077 0.212 18107
1223 1 3 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.297 -0.428 18107
1224 1 3 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.958 -0.203 18107
1225 1 3 . 1 1 69 69 PHE H H 86 7.975 7.975 8.388 -0.413 18107
1226 1 3 . 1 1 70 70 ASN N N 87 118.904 118.904 118.275 0.629 18107
1227 1 3 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.333 0.028 18107
1228 1 3 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.096 0.172 18107
1229 1 3 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.193 -0.095 18107
1230 1 3 . 1 1 70 70 ASN H H 87 8.259 8.259 7.307 0.952 18107
1231 1 3 . 1 1 71 71 PHE N N 88 121.068 121.068 118.908 2.160 18107
1232 1 3 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.394 0.872 18107
1233 1 3 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.787 1.000 18107
1234 1 3 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.535 0.495 18107
1235 1 3 . 1 1 71 71 PHE H H 88 8.618 8.618 7.285 1.333 18107
1236 1 3 . 1 1 72 72 GLU N N 89 120.500 120.500 119.714 0.786 18107
1237 1 3 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.897 -0.044 18107
1238 1 3 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.047 1.450 18107
1239 1 3 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.356 0.155 18107
1240 1 3 . 1 1 72 72 GLU H H 89 8.709 8.709 8.640 0.069 18107
1241 1 3 . 1 1 73 73 ALA N N 90 123.117 123.117 121.812 1.305 18107
1242 1 3 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.848 0.190 18107
1243 1 3 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.655 0.346 18107
1244 1 3 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.822 0.126 18107
1245 1 3 . 1 1 73 73 ALA H H 90 8.158 8.158 7.734 0.424 18107
1246 1 3 . 1 1 74 74 ALA N N 91 122.919 122.919 121.270 1.649 18107
1247 1 3 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.035 -0.084 18107
1248 1 3 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.450 0.829 18107
1249 1 3 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.285 -0.619 18107
1250 1 3 . 1 1 74 74 ALA H H 91 7.841 7.841 8.048 -0.207 18107
1251 1 3 . 1 1 75 75 LEU N N 92 119.956 119.956 119.757 0.199 18107
1252 1 3 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.192 -0.145 18107
1253 1 3 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.232 0.227 18107
1254 1 3 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.752 0.407 18107
1255 1 3 . 1 1 75 75 LEU H H 92 8.091 8.091 8.337 -0.246 18107
1256 1 3 . 1 1 76 76 ALA N N 93 120.763 120.763 121.015 -0.252 18107
1257 1 3 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.112 0.018 18107
1258 1 3 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.382 0.022 18107
1259 1 3 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.072 -0.202 18107
1260 1 3 . 1 1 76 76 ALA H H 93 7.774 7.774 7.960 -0.186 18107
1261 1 3 . 1 1 77 77 THR N N 94 117.510 117.510 115.799 1.711 18107
1262 1 3 . 1 1 77 77 THR HA H 94 4.234 4.234 4.087 0.147 18107
1263 1 3 . 1 1 77 77 THR CA C 94 67.364 67.364 66.319 1.045 18107
1264 1 3 . 1 1 77 77 THR CB C 94 68.779 68.779 68.543 0.235 18107
1265 1 3 . 1 1 77 77 THR H H 94 8.188 8.188 7.733 0.455 18107
1266 1 3 . 1 1 78 78 GLY N N 95 110.009 110.009 110.157 -0.148 18107
1267 1 3 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.973 1.177 18107
1268 1 3 . 1 1 78 78 GLY H H 95 8.547 8.547 8.881 -0.334 18107
1269 1 3 . 1 1 79 79 ASP N N 96 121.634 121.634 122.987 -1.353 18107
1270 1 3 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.430 -0.162 18107
1271 1 3 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.887 0.049 18107
1272 1 3 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.676 -0.036 18107
1273 1 3 . 1 1 79 79 ASP H H 96 8.548 8.548 8.193 0.355 18107
1274 1 3 . 1 1 80 80 LEU N N 97 122.599 122.599 119.522 3.077 18107
1275 1 3 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.066 -0.058 18107
1276 1 3 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.763 0.679 18107
1277 1 3 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.209 -0.280 18107
1278 1 3 . 1 1 80 80 LEU H H 97 7.618 7.618 7.790 -0.172 18107
1279 1 3 . 1 1 81 81 LEU N N 98 119.913 119.913 117.950 1.963 18107
1280 1 3 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.178 -0.147 18107
1281 1 3 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.933 -0.125 18107
1282 1 3 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.355 1.006 18107
1283 1 3 . 1 1 81 81 LEU H H 98 8.224 8.224 7.871 0.353 18107
1284 1 3 . 1 1 82 82 LEU N N 99 118.616 118.616 120.675 -2.059 18107
1285 1 3 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.893 0.082 18107
1286 1 3 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.214 -0.145 18107
1287 1 3 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.385 0.780 18107
1288 1 3 . 1 1 82 82 LEU H H 99 8.359 8.359 8.635 -0.276 18107
1289 1 3 . 1 1 83 83 LYS N N 100 118.988 118.988 119.025 -0.037 18107
1290 1 3 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.957 -0.073 18107
1291 1 3 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.923 0.343 18107
1292 1 3 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.055 0.116 18107
1293 1 3 . 1 1 83 83 LYS H H 100 7.566 7.566 7.695 -0.129 18107
1294 1 3 . 1 1 84 84 ASP N N 101 121.591 121.591 120.941 0.650 18107
1295 1 3 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.505 -0.108 18107
1296 1 3 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.005 0.691 18107
1297 1 3 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.960 -0.555 18107
1298 1 3 . 1 1 84 84 ASP H H 101 7.743 7.743 7.699 0.044 18107
1299 1 3 . 1 1 85 85 LEU N N 102 123.215 123.215 120.753 2.462 18107
1300 1 3 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.889 -0.039 18107
1301 1 3 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.034 1.807 18107
1302 1 3 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.794 0.777 18107
1303 1 3 . 1 1 85 85 LEU H H 102 8.760 8.760 8.484 0.276 18107
1304 1 3 . 1 1 86 86 LYS N N 103 119.648 119.648 119.592 0.056 18107
1305 1 3 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.062 0.006 18107
1306 1 3 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.903 -0.111 18107
1307 1 3 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.171 -1.039 18107
1308 1 3 . 1 1 86 86 LYS H H 103 8.883 8.883 7.834 1.049 18107
1309 1 3 . 1 1 87 87 ALA N N 104 122.844 122.844 121.420 1.424 18107
1310 1 3 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.136 0.024 18107
1311 1 3 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.810 0.490 18107
1312 1 3 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.167 -0.147 18107
1313 1 3 . 1 1 87 87 ALA H H 104 7.721 7.721 7.615 0.106 18107
1314 1 3 . 1 1 88 88 LEU N N 105 120.380 120.380 118.882 1.498 18107
1315 1 3 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.001 -0.009 18107
1316 1 3 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.331 -0.145 18107
1317 1 3 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.122 1.682 18107
1318 1 3 . 1 1 88 88 LEU H H 105 7.762 7.762 8.256 -0.494 18107
1319 1 3 . 1 1 89 89 GLN N N 106 118.781 118.781 119.339 -0.558 18107
1320 1 3 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.890 -0.305 18107
1321 1 3 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.375 0.602 18107
1322 1 3 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.546 1.081 18107
1323 1 3 . 1 1 89 89 GLN H H 106 8.658 8.658 7.962 0.696 18107
1324 1 3 . 1 1 90 90 LYS N N 107 118.977 118.977 118.879 0.098 18107
1325 1 3 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.095 -0.147 18107
1326 1 3 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.483 1.012 18107
1327 1 3 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.686 0.737 18107
1328 1 3 . 1 1 90 90 LYS H H 107 7.786 7.786 7.693 0.093 18107
1329 1 3 . 1 1 91 91 ARG N N 108 117.470 117.470 120.001 -2.531 18107
1330 1 3 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.080 -0.077 18107
1331 1 3 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.536 0.046 18107
1332 1 3 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.313 1.315 18107
1333 1 3 . 1 1 91 91 ARG H H 108 7.469 7.469 7.643 -0.174 18107
1334 1 3 . 1 1 92 92 VAL N N 109 117.865 117.865 120.682 -2.817 18107
1335 1 3 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.693 -0.211 18107
1336 1 3 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.333 0.278 18107
1337 1 3 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.506 0.705 18107
1338 1 3 . 1 1 92 92 VAL H H 109 8.084 8.084 8.611 -0.527 18107
1339 1 3 . 1 1 93 93 GLN N N 110 119.617 119.617 118.180 1.437 18107
1340 1 3 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.974 -0.098 18107
1341 1 3 . 1 1 93 93 GLN CA C 110 59.234 59.234 59.115 0.119 18107
1342 1 3 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.426 0.598 18107
1343 1 3 . 1 1 93 93 GLN H H 110 8.512 8.512 8.387 0.125 18107
1344 1 3 . 1 1 94 94 ASP N N 111 117.490 117.490 118.524 -1.034 18107
1345 1 3 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.582 -0.090 18107
1346 1 3 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.807 -0.526 18107
1347 1 3 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.758 -0.923 18107
1348 1 3 . 1 1 94 94 ASP H H 111 8.194 8.194 7.712 0.482 18107
1349 1 3 . 1 1 95 95 SER N N 112 116.625 116.625 113.227 3.398 18107
1350 1 3 . 1 1 95 95 SER HA H 112 4.288 4.288 4.017 0.271 18107
1351 1 3 . 1 1 95 95 SER CA C 112 59.770 59.770 60.616 -0.846 18107
1352 1 3 . 1 1 95 95 SER CB C 112 63.990 63.990 62.428 1.562 18107
1353 1 3 . 1 1 95 95 SER H H 112 7.479 7.479 8.519 -1.040 18107
1354 1 4 . 1 1 2 2 THR HA H 19 4.222 4.222 4.158 0.064 18107
1355 1 4 . 1 1 2 2 THR CA C 19 63.013 63.013 65.369 -2.356 18107
1356 1 4 . 1 1 2 2 THR CB C 19 69.504 69.504 68.482 1.022 18107
1357 1 4 . 1 1 3 3 ALA N N 20 125.065 125.065 124.365 0.700 18107
1358 1 4 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.984 0.166 18107
1359 1 4 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.923 0.033 18107
1360 1 4 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.127 0.870 18107
1361 1 4 . 1 1 3 3 ALA H H 20 8.404 8.404 8.392 0.012 18107
1362 1 4 . 1 1 4 4 THR N N 21 109.840 109.840 111.517 -1.677 18107
1363 1 4 . 1 1 4 4 THR HA H 21 4.235 4.235 3.986 0.249 18107
1364 1 4 . 1 1 4 4 THR CA C 21 64.668 64.668 64.725 -0.057 18107
1365 1 4 . 1 1 4 4 THR CB C 21 68.923 68.923 68.154 0.769 18107
1366 1 4 . 1 1 4 4 THR H H 21 7.910 7.910 8.026 -0.116 18107
1367 1 4 . 1 1 5 5 GLN N N 22 122.037 122.037 119.860 2.177 18107
1368 1 4 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.927 0.124 18107
1369 1 4 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.667 -0.503 18107
1370 1 4 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.744 -0.187 18107
1371 1 4 . 1 1 5 5 GLN H H 22 7.953 7.953 7.846 0.107 18107
1372 1 4 . 1 1 6 6 ARG N N 23 118.944 118.944 119.739 -0.795 18107
1373 1 4 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.090 0.016 18107
1374 1 4 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.359 -0.267 18107
1375 1 4 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.083 0.064 18107
1376 1 4 . 1 1 6 6 ARG H H 23 7.922 7.922 7.346 0.576 18107
1377 1 4 . 1 1 7 7 PHE N N 24 116.543 116.543 115.344 1.199 18107
1378 1 4 . 1 1 7 7 PHE H H 24 8.276 8.276 7.660 0.616 18107
1379 1 4 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.726 -0.231 18107
1380 1 4 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.135 1.885 18107
1381 1 4 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.970 -0.918 18107
1382 1 4 . 1 1 9 9 GLU N N 26 118.298 118.298 119.647 -1.349 18107
1383 1 4 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.111 -0.121 18107
1384 1 4 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.037 -0.659 18107
1385 1 4 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.411 -0.099 18107
1386 1 4 . 1 1 9 9 GLU H H 26 8.148 8.148 8.667 -0.519 18107
1387 1 4 . 1 1 10 10 ILE N N 27 121.761 121.761 117.296 4.465 18107
1388 1 4 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.730 0.234 18107
1389 1 4 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.217 -0.754 18107
1390 1 4 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.728 0.522 18107
1391 1 4 . 1 1 10 10 ILE H H 27 8.165 8.165 8.260 -0.095 18107
1392 1 4 . 1 1 11 11 GLU N N 28 122.042 122.042 121.221 0.821 18107
1393 1 4 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.032 -0.195 18107
1394 1 4 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.246 0.382 18107
1395 1 4 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.309 0.697 18107
1396 1 4 . 1 1 11 11 GLU H H 28 8.541 8.541 8.353 0.188 18107
1397 1 4 . 1 1 12 12 LYS N N 29 117.967 117.967 119.344 -1.377 18107
1398 1 4 . 1 1 12 12 LYS HA H 29 3.942 3.942 3.993 -0.051 18107
1399 1 4 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.486 0.255 18107
1400 1 4 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.236 0.216 18107
1401 1 4 . 1 1 12 12 LYS H H 29 7.517 7.517 7.993 -0.476 18107
1402 1 4 . 1 1 13 13 PHE N N 30 122.144 122.144 119.764 2.380 18107
1403 1 4 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.310 0.119 18107
1404 1 4 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.178 -0.391 18107
1405 1 4 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.684 0.527 18107
1406 1 4 . 1 1 13 13 PHE H H 30 8.066 8.066 8.058 0.008 18107
1407 1 4 . 1 1 14 14 LEU N N 31 119.404 119.404 120.377 -0.973 18107
1408 1 4 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.908 -0.174 18107
1409 1 4 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.652 -0.888 18107
1410 1 4 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.828 -0.392 18107
1411 1 4 . 1 1 14 14 LEU H H 31 8.739 8.739 7.984 0.755 18107
1412 1 4 . 1 1 15 15 LEU N N 32 121.073 121.073 118.096 2.977 18107
1413 1 4 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.935 0.025 18107
1414 1 4 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.934 0.399 18107
1415 1 4 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.916 1.046 18107
1416 1 4 . 1 1 15 15 LEU H H 32 7.736 7.736 7.592 0.144 18107
1417 1 4 . 1 1 16 16 HIS N N 33 118.629 118.629 118.751 -0.122 18107
1418 1 4 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.279 0.067 18107
1419 1 4 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.939 -0.294 18107
1420 1 4 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.475 -0.174 18107
1421 1 4 . 1 1 16 16 HIS H H 33 7.681 7.681 7.854 -0.173 18107
1422 1 4 . 1 1 17 17 ILE N N 34 118.602 118.602 120.779 -2.177 18107
1423 1 4 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.882 -0.077 18107
1424 1 4 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.071 -1.564 18107
1425 1 4 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.244 -0.799 18107
1426 1 4 . 1 1 17 17 ILE H H 34 8.502 8.502 8.747 -0.245 18107
1427 1 4 . 1 1 18 18 THR N N 35 117.776 117.776 116.332 1.444 18107
1428 1 4 . 1 1 18 18 THR HA H 35 4.116 4.116 3.900 0.216 18107
1429 1 4 . 1 1 18 18 THR CA C 35 68.694 68.694 67.248 1.446 18107
1430 1 4 . 1 1 18 18 THR CB C 35 68.694 68.694 68.697 -0.003 18107
1431 1 4 . 1 1 18 18 THR H H 35 7.726 7.726 7.808 -0.082 18107
1432 1 4 . 1 1 19 19 HIS N N 36 118.130 118.130 119.881 -1.751 18107
1433 1 4 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.227 0.174 18107
1434 1 4 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.222 0.563 18107
1435 1 4 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.231 -0.161 18107
1436 1 4 . 1 1 19 19 HIS H H 36 7.177 7.177 7.981 -0.804 18107
1437 1 4 . 1 1 20 20 GLU N N 37 119.301 119.301 119.140 0.161 18107
1438 1 4 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.951 0.099 18107
1439 1 4 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.453 0.104 18107
1440 1 4 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.398 0.658 18107
1441 1 4 . 1 1 20 20 GLU H H 37 7.335 7.335 8.041 -0.706 18107
1442 1 4 . 1 1 21 21 VAL N N 38 122.744 122.744 119.337 3.407 18107
1443 1 4 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.643 -0.221 18107
1444 1 4 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.618 0.432 18107
1445 1 4 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.754 -0.381 18107
1446 1 4 . 1 1 21 21 VAL H H 38 8.385 8.385 7.405 0.980 18107
1447 1 4 . 1 1 22 22 ASP N N 39 120.471 120.471 120.657 -0.186 18107
1448 1 4 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.381 -0.234 18107
1449 1 4 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.712 0.014 18107
1450 1 4 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.423 -0.036 18107
1451 1 4 . 1 1 22 22 ASP H H 39 8.054 8.054 7.769 0.285 18107
1452 1 4 . 1 1 23 23 ASP N N 40 118.541 118.541 119.920 -1.379 18107
1453 1 4 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.345 0.075 18107
1454 1 4 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.392 0.095 18107
1455 1 4 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.884 0.290 18107
1456 1 4 . 1 1 23 23 ASP H H 40 7.587 7.587 8.059 -0.472 18107
1457 1 4 . 1 1 24 24 LEU N N 41 123.241 123.241 117.145 6.096 18107
1458 1 4 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.186 -0.018 18107
1459 1 4 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.160 -0.452 18107
1460 1 4 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.253 0.656 18107
1461 1 4 . 1 1 24 24 LEU H H 41 8.032 8.032 8.023 0.009 18107
1462 1 4 . 1 1 25 25 GLU N N 42 117.508 117.508 119.903 -2.395 18107
1463 1 4 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.033 -0.113 18107
1464 1 4 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.324 -0.242 18107
1465 1 4 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.717 0.146 18107
1466 1 4 . 1 1 25 25 GLU H H 42 8.010 8.010 8.234 -0.224 18107
1467 1 4 . 1 1 26 26 LYS N N 43 117.032 117.032 115.525 1.507 18107
1468 1 4 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.346 -0.103 18107
1469 1 4 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.552 0.699 18107
1470 1 4 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.383 1.124 18107
1471 1 4 . 1 1 26 26 LYS H H 43 7.596 7.596 7.701 -0.105 18107
1472 1 4 . 1 1 27 27 THR N N 44 110.288 110.288 111.923 -1.635 18107
1473 1 4 . 1 1 27 27 THR HA H 44 4.271 4.271 4.414 -0.143 18107
1474 1 4 . 1 1 27 27 THR CA C 44 62.820 62.820 63.194 -0.374 18107
1475 1 4 . 1 1 27 27 THR CB C 44 70.733 70.733 69.924 0.809 18107
1476 1 4 . 1 1 27 27 THR H H 44 8.227 8.227 7.261 0.966 18107
1477 1 4 . 1 1 28 28 GLY N N 45 112.257 112.257 107.845 4.412 18107
1478 1 4 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.090 0.571 18107
1479 1 4 . 1 1 28 28 GLY H H 45 8.727 8.727 8.207 0.520 18107
1480 1 4 . 1 1 29 29 ASN N N 46 118.416 118.416 117.380 1.036 18107
1481 1 4 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.282 0.187 18107
1482 1 4 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.713 0.584 18107
1483 1 4 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.509 2.601 18107
1484 1 4 . 1 1 29 29 ASN H H 46 7.716 7.716 8.108 -0.392 18107
1485 1 4 . 1 1 30 30 LYS N N 47 126.481 126.481 118.862 7.619 18107
1486 1 4 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.091 -0.103 18107
1487 1 4 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.486 0.705 18107
1488 1 4 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.546 -0.033 18107
1489 1 4 . 1 1 30 30 LYS H H 47 8.770 8.770 8.371 0.399 18107
1490 1 4 . 1 1 31 31 ASP N N 48 121.710 121.710 115.079 6.631 18107
1491 1 4 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.801 -0.334 18107
1492 1 4 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.346 3.289 18107
1493 1 4 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.524 -1.080 18107
1494 1 4 . 1 1 31 31 ASP H H 48 8.229 8.229 8.180 0.049 18107
1495 1 4 . 1 1 32 32 GLU N N 49 121.695 121.695 120.046 1.649 18107
1496 1 4 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.010 0.347 18107
1497 1 4 . 1 1 32 32 GLU H H 49 8.048 8.048 8.643 -0.595 18107
1498 1 4 . 1 1 33 33 LYS N N 50 120.099 120.099 119.949 0.150 18107
1499 1 4 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.956 -0.305 18107
1500 1 4 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.510 0.327 18107
1501 1 4 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.779 1.188 18107
1502 1 4 . 1 1 33 33 LYS H H 50 7.975 7.975 8.520 -0.545 18107
1503 1 4 . 1 1 34 34 ALA N N 51 118.238 118.238 119.714 -1.476 18107
1504 1 4 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.008 -0.019 18107
1505 1 4 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.916 0.477 18107
1506 1 4 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.369 -0.157 18107
1507 1 4 . 1 1 34 34 ALA H H 51 7.614 7.614 8.364 -0.750 18107
1508 1 4 . 1 1 35 35 ARG N N 52 120.311 120.311 119.323 0.988 18107
1509 1 4 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.125 1.766 18107
1510 1 4 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.238 0.812 18107
1511 1 4 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.504 -0.093 18107
1512 1 4 . 1 1 35 35 ARG H H 52 7.883 7.883 7.796 0.087 18107
1513 1 4 . 1 1 36 36 LEU N N 53 119.541 119.541 119.607 -0.066 18107
1514 1 4 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.189 -0.243 18107
1515 1 4 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.439 0.050 18107
1516 1 4 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.184 1.258 18107
1517 1 4 . 1 1 36 36 LEU H H 53 8.553 8.553 8.619 -0.066 18107
1518 1 4 . 1 1 37 37 LEU N N 54 117.789 117.789 120.130 -2.341 18107
1519 1 4 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.884 0.181 18107
1520 1 4 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.003 0.639 18107
1521 1 4 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.342 -0.023 18107
1522 1 4 . 1 1 37 37 LEU H H 54 8.341 8.341 8.303 0.038 18107
1523 1 4 . 1 1 38 38 ARG N N 55 121.176 121.176 119.046 2.130 18107
1524 1 4 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.028 0.040 18107
1525 1 4 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.906 1.419 18107
1526 1 4 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.876 0.194 18107
1527 1 4 . 1 1 38 38 ARG H H 55 7.864 7.864 7.805 0.059 18107
1528 1 4 . 1 1 39 39 GLU N N 56 119.256 119.256 120.479 -1.223 18107
1529 1 4 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.149 -0.089 18107
1530 1 4 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.767 0.127 18107
1531 1 4 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.609 0.292 18107
1532 1 4 . 1 1 39 39 GLU H H 56 8.390 8.390 7.693 0.697 18107
1533 1 4 . 1 1 40 40 LEU N N 57 120.312 120.312 117.254 3.058 18107
1534 1 4 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.400 -0.272 18107
1535 1 4 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.874 0.747 18107
1536 1 4 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.357 0.872 18107
1537 1 4 . 1 1 40 40 LEU H H 57 8.802 8.802 8.153 0.649 18107
1538 1 4 . 1 1 41 41 THR N N 58 117.791 117.791 117.560 0.231 18107
1539 1 4 . 1 1 41 41 THR HA H 58 4.341 4.341 4.118 0.223 18107
1540 1 4 . 1 1 41 41 THR CA C 58 67.542 67.542 67.209 0.333 18107
1541 1 4 . 1 1 41 41 THR CB C 58 69.157 69.157 68.709 0.448 18107
1542 1 4 . 1 1 41 41 THR H H 58 8.182 8.182 8.014 0.168 18107
1543 1 4 . 1 1 42 42 VAL N N 59 123.554 123.554 120.737 2.817 18107
1544 1 4 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.601 0.122 18107
1545 1 4 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.337 1.518 18107
1546 1 4 . 1 1 42 42 VAL H H 59 7.978 7.978 8.247 -0.269 18107
1547 1 4 . 1 1 43 43 SER N N 60 116.859 116.859 115.305 1.554 18107
1548 1 4 . 1 1 43 43 SER HA H 60 4.155 4.155 2.018 2.137 18107
1549 1 4 . 1 1 43 43 SER CA C 60 63.412 63.412 61.035 2.377 18107
1550 1 4 . 1 1 43 43 SER H H 60 7.715 7.715 7.670 0.045 18107
1551 1 4 . 1 1 44 44 GLU N N 61 124.072 124.072 121.237 2.835 18107
1552 1 4 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.733 -0.107 18107
1553 1 4 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.080 1.422 18107
1554 1 4 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.516 0.278 18107
1555 1 4 . 1 1 44 44 GLU H H 61 8.517 8.517 8.219 0.298 18107
1556 1 4 . 1 1 45 45 ALA N N 62 120.467 120.467 122.064 -1.597 18107
1557 1 4 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.093 0.056 18107
1558 1 4 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.019 0.207 18107
1559 1 4 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.246 -0.401 18107
1560 1 4 . 1 1 45 45 ALA H H 62 7.853 7.853 7.568 0.285 18107
1561 1 4 . 1 1 46 46 PHE N N 63 119.936 119.936 116.106 3.830 18107
1562 1 4 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.285 -0.020 18107
1563 1 4 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.400 3.136 18107
1564 1 4 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.596 1.596 18107
1565 1 4 . 1 1 46 46 PHE H H 63 7.946 7.946 6.992 0.954 18107
1566 1 4 . 1 1 47 47 ILE N N 64 122.630 122.630 121.092 1.538 18107
1567 1 4 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.710 -0.090 18107
1568 1 4 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.878 2.480 18107
1569 1 4 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.184 1.197 18107
1570 1 4 . 1 1 47 47 ILE H H 64 8.595 8.595 8.266 0.329 18107
1571 1 4 . 1 1 48 48 GLU N N 65 120.257 120.257 119.772 0.485 18107
1572 1 4 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.052 0.537 18107
1573 1 4 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.346 0.010 18107
1574 1 4 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.730 0.871 18107
1575 1 4 . 1 1 48 48 GLU H H 65 9.078 9.078 8.336 0.742 18107
1576 1 4 . 1 1 49 49 GLY N N 66 108.368 108.368 107.907 0.461 18107
1577 1 4 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.611 0.541 18107
1578 1 4 . 1 1 49 49 GLY H H 66 8.379 8.379 8.189 0.190 18107
1579 1 4 . 1 1 50 50 SER N N 67 119.358 119.358 117.604 1.754 18107
1580 1 4 . 1 1 50 50 SER HA H 67 3.988 3.988 4.104 -0.116 18107
1581 1 4 . 1 1 50 50 SER CA C 67 62.501 62.501 61.111 1.390 18107
1582 1 4 . 1 1 50 50 SER CB C 67 63.441 63.441 62.994 0.447 18107
1583 1 4 . 1 1 50 50 SER H H 67 7.694 7.694 8.040 -0.346 18107
1584 1 4 . 1 1 51 51 ARG N N 68 121.212 121.212 120.905 0.307 18107
1585 1 4 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.149 -0.241 18107
1586 1 4 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.741 1.300 18107
1587 1 4 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.122 0.635 18107
1588 1 4 . 1 1 51 51 ARG H H 68 8.684 8.684 7.850 0.834 18107
1589 1 4 . 1 1 52 52 GLY N N 69 124.556 124.556 106.563 17.993 18107
1590 1 4 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.828 0.435 18107
1591 1 4 . 1 1 52 52 GLY H H 69 8.068 8.068 7.986 0.082 18107
1592 1 4 . 1 1 53 53 TYR N N 70 123.123 123.123 122.811 0.312 18107
1593 1 4 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.165 -0.096 18107
1594 1 4 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.270 -0.450 18107
1595 1 4 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.465 -0.718 18107
1596 1 4 . 1 1 53 53 TYR H H 70 7.337 7.337 7.730 -0.393 18107
1597 1 4 . 1 1 54 54 PHE N N 71 117.809 117.809 118.343 -0.534 18107
1598 1 4 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.045 -0.378 18107
1599 1 4 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.021 0.468 18107
1600 1 4 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.785 0.964 18107
1601 1 4 . 1 1 54 54 PHE H H 71 7.965 7.965 7.284 0.681 18107
1602 1 4 . 1 1 55 55 GLN N N 72 115.519 115.519 118.525 -3.006 18107
1603 1 4 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.095 -0.237 18107
1604 1 4 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.326 0.282 18107
1605 1 4 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.628 0.368 18107
1606 1 4 . 1 1 55 55 GLN H H 72 8.522 8.522 7.820 0.702 18107
1607 1 4 . 1 1 56 56 ARG N N 73 118.947 118.947 117.740 1.207 18107
1608 1 4 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.123 -0.251 18107
1609 1 4 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.242 2.679 18107
1610 1 4 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.395 0.691 18107
1611 1 4 . 1 1 56 56 ARG H H 73 7.677 7.677 7.704 -0.027 18107
1612 1 4 . 1 1 57 57 GLU N N 74 121.204 121.204 121.828 -0.624 18107
1613 1 4 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.981 -0.299 18107
1614 1 4 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.041 -0.107 18107
1615 1 4 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.906 0.787 18107
1616 1 4 . 1 1 57 57 GLU H H 74 7.897 7.897 8.237 -0.340 18107
1617 1 4 . 1 1 58 58 LEU N N 75 115.348 115.348 118.828 -3.480 18107
1618 1 4 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.166 -0.106 18107
1619 1 4 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.401 -0.507 18107
1620 1 4 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.221 0.109 18107
1621 1 4 . 1 1 58 58 LEU H H 75 7.746 7.746 7.656 0.090 18107
1622 1 4 . 1 1 59 59 LYS N N 76 117.429 117.429 116.548 0.881 18107
1623 1 4 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.306 -0.106 18107
1624 1 4 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.846 -0.238 18107
1625 1 4 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.164 0.719 18107
1626 1 4 . 1 1 59 59 LYS H H 76 7.233 7.233 7.758 -0.525 18107
1627 1 4 . 1 1 60 60 ARG N N 77 120.555 120.555 119.122 1.433 18107
1628 1 4 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.069 0.057 18107
1629 1 4 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.526 -0.827 18107
1630 1 4 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.419 1.379 18107
1631 1 4 . 1 1 60 60 ARG H H 77 7.701 7.701 7.824 -0.123 18107
1632 1 4 . 1 1 61 61 THR N N 78 111.768 111.768 107.591 4.177 18107
1633 1 4 . 1 1 61 61 THR HA H 78 4.414 4.414 4.105 0.309 18107
1634 1 4 . 1 1 61 61 THR CA C 78 62.557 62.557 64.364 -1.807 18107
1635 1 4 . 1 1 61 61 THR CB C 78 69.221 69.221 67.645 1.576 18107
1636 1 4 . 1 1 61 61 THR H H 78 8.638 8.638 8.200 0.438 18107
1637 1 4 . 1 1 62 62 ASP N N 79 120.616 120.616 120.122 0.494 18107
1638 1 4 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.876 -0.244 18107
1639 1 4 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.220 -1.258 18107
1640 1 4 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.401 -1.155 18107
1641 1 4 . 1 1 62 62 ASP H H 79 8.465 8.465 8.489 -0.024 18107
1642 1 4 . 1 1 63 63 LEU N N 80 120.063 120.063 117.163 2.900 18107
1643 1 4 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.805 -0.560 18107
1644 1 4 . 1 1 63 63 LEU CA C 80 55.212 55.212 54.449 0.763 18107
1645 1 4 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.333 -1.538 18107
1646 1 4 . 1 1 63 63 LEU H H 80 7.157 7.157 7.580 -0.423 18107
1647 1 4 . 1 1 64 64 ASP N N 81 125.396 125.396 122.275 3.121 18107
1648 1 4 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.874 -0.305 18107
1649 1 4 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.592 1.385 18107
1650 1 4 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.834 -1.034 18107
1651 1 4 . 1 1 64 64 ASP H H 81 8.926 8.926 8.328 0.598 18107
1652 1 4 . 1 1 65 65 LEU N N 82 122.508 122.508 121.785 0.723 18107
1653 1 4 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.233 -0.395 18107
1654 1 4 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.489 1.333 18107
1655 1 4 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.165 0.030 18107
1656 1 4 . 1 1 65 65 LEU H H 82 8.281 8.281 8.293 -0.012 18107
1657 1 4 . 1 1 66 66 LEU N N 83 119.413 119.413 120.743 -1.330 18107
1658 1 4 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.015 0.057 18107
1659 1 4 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.116 -0.088 18107
1660 1 4 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.312 1.039 18107
1661 1 4 . 1 1 66 66 LEU H H 83 8.149 8.149 8.002 0.147 18107
1662 1 4 . 1 1 67 67 GLU N N 84 119.941 119.941 118.289 1.652 18107
1663 1 4 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.764 0.082 18107
1664 1 4 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.389 -0.866 18107
1665 1 4 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.351 0.861 18107
1666 1 4 . 1 1 67 67 GLU H H 84 7.725 7.725 8.528 -0.803 18107
1667 1 4 . 1 1 68 68 LYS N N 85 119.400 119.400 119.642 -0.242 18107
1668 1 4 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.921 -0.120 18107
1669 1 4 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.343 1.476 18107
1670 1 4 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.324 0.591 18107
1671 1 4 . 1 1 68 68 LYS H H 85 8.117 8.117 8.310 -0.193 18107
1672 1 4 . 1 1 69 69 PHE N N 86 117.969 117.969 119.249 -1.280 18107
1673 1 4 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.085 0.204 18107
1674 1 4 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.381 -0.512 18107
1675 1 4 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.543 0.212 18107
1676 1 4 . 1 1 69 69 PHE H H 86 7.975 7.975 8.195 -0.220 18107
1677 1 4 . 1 1 70 70 ASN N N 87 118.904 118.904 118.273 0.631 18107
1678 1 4 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.349 0.012 18107
1679 1 4 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.513 -0.244 18107
1680 1 4 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.637 -0.539 18107
1681 1 4 . 1 1 70 70 ASN H H 87 8.259 8.259 7.312 0.947 18107
1682 1 4 . 1 1 71 71 PHE N N 88 121.068 121.068 118.539 2.529 18107
1683 1 4 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.296 0.970 18107
1684 1 4 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.854 0.933 18107
1685 1 4 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.285 0.744 18107
1686 1 4 . 1 1 71 71 PHE H H 88 8.618 8.618 7.309 1.309 18107
1687 1 4 . 1 1 72 72 GLU N N 89 120.500 120.500 119.430 1.070 18107
1688 1 4 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.938 -0.085 18107
1689 1 4 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.460 1.037 18107
1690 1 4 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.066 0.445 18107
1691 1 4 . 1 1 72 72 GLU H H 89 8.709 8.709 8.699 0.010 18107
1692 1 4 . 1 1 73 73 ALA N N 90 123.117 123.117 122.018 1.099 18107
1693 1 4 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.098 -0.060 18107
1694 1 4 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.807 0.194 18107
1695 1 4 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.085 -0.137 18107
1696 1 4 . 1 1 73 73 ALA H H 90 8.158 8.158 7.965 0.193 18107
1697 1 4 . 1 1 74 74 ALA N N 91 122.919 122.919 121.237 1.682 18107
1698 1 4 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.186 -0.235 18107
1699 1 4 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.599 0.680 18107
1700 1 4 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.342 -0.676 18107
1701 1 4 . 1 1 74 74 ALA H H 91 7.841 7.841 8.105 -0.264 18107
1702 1 4 . 1 1 75 75 LEU N N 92 119.956 119.956 119.745 0.211 18107
1703 1 4 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.118 -0.071 18107
1704 1 4 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.187 0.272 18107
1705 1 4 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.837 0.323 18107
1706 1 4 . 1 1 75 75 LEU H H 92 8.091 8.091 8.384 -0.293 18107
1707 1 4 . 1 1 76 76 ALA N N 93 120.763 120.763 120.855 -0.092 18107
1708 1 4 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.121 0.009 18107
1709 1 4 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.314 0.090 18107
1710 1 4 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.163 -0.293 18107
1711 1 4 . 1 1 76 76 ALA H H 93 7.774 7.774 7.927 -0.153 18107
1712 1 4 . 1 1 77 77 THR N N 94 117.510 117.510 116.727 0.783 18107
1713 1 4 . 1 1 77 77 THR HA H 94 4.234 4.234 4.046 0.188 18107
1714 1 4 . 1 1 77 77 THR CA C 94 67.364 67.364 68.006 -0.642 18107
1715 1 4 . 1 1 77 77 THR CB C 94 68.779 68.779 68.726 0.053 18107
1716 1 4 . 1 1 77 77 THR H H 94 8.188 8.188 7.835 0.353 18107
1717 1 4 . 1 1 78 78 GLY N N 95 110.009 110.009 109.632 0.377 18107
1718 1 4 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.615 1.535 18107
1719 1 4 . 1 1 78 78 GLY H H 95 8.547 8.547 8.825 -0.278 18107
1720 1 4 . 1 1 79 79 ASP N N 96 121.634 121.634 122.613 -0.979 18107
1721 1 4 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.441 -0.173 18107
1722 1 4 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.954 0.982 18107
1723 1 4 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.806 -0.166 18107
1724 1 4 . 1 1 79 79 ASP H H 96 8.548 8.548 8.121 0.427 18107
1725 1 4 . 1 1 80 80 LEU N N 97 122.599 122.599 119.658 2.941 18107
1726 1 4 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.052 -0.044 18107
1727 1 4 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.670 0.771 18107
1728 1 4 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.246 -0.317 18107
1729 1 4 . 1 1 80 80 LEU H H 97 7.618 7.618 7.623 -0.005 18107
1730 1 4 . 1 1 81 81 LEU N N 98 119.913 119.913 117.874 2.039 18107
1731 1 4 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.138 -0.107 18107
1732 1 4 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.067 -0.259 18107
1733 1 4 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.280 1.081 18107
1734 1 4 . 1 1 81 81 LEU H H 98 8.224 8.224 7.907 0.317 18107
1735 1 4 . 1 1 82 82 LEU N N 99 118.616 118.616 120.602 -1.986 18107
1736 1 4 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.852 0.123 18107
1737 1 4 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.911 0.158 18107
1738 1 4 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.609 0.556 18107
1739 1 4 . 1 1 82 82 LEU H H 99 8.359 8.359 8.574 -0.215 18107
1740 1 4 . 1 1 83 83 LYS N N 100 118.988 118.988 118.976 0.012 18107
1741 1 4 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.943 -0.059 18107
1742 1 4 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.105 0.162 18107
1743 1 4 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.153 0.018 18107
1744 1 4 . 1 1 83 83 LYS H H 100 7.566 7.566 7.763 -0.197 18107
1745 1 4 . 1 1 84 84 ASP N N 101 121.591 121.591 120.921 0.670 18107
1746 1 4 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.495 -0.098 18107
1747 1 4 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.925 0.771 18107
1748 1 4 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.878 -0.473 18107
1749 1 4 . 1 1 84 84 ASP H H 101 7.743 7.743 7.866 -0.123 18107
1750 1 4 . 1 1 85 85 LEU N N 102 123.215 123.215 120.178 3.037 18107
1751 1 4 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.902 -0.052 18107
1752 1 4 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.419 1.422 18107
1753 1 4 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.745 0.827 18107
1754 1 4 . 1 1 85 85 LEU H H 102 8.760 8.760 8.382 0.378 18107
1755 1 4 . 1 1 86 86 LYS N N 103 119.648 119.648 118.395 1.253 18107
1756 1 4 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.030 0.038 18107
1757 1 4 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.870 -0.077 18107
1758 1 4 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.295 -0.163 18107
1759 1 4 . 1 1 86 86 LYS H H 103 8.883 8.883 7.846 1.037 18107
1760 1 4 . 1 1 87 87 ALA N N 104 122.844 122.844 121.707 1.137 18107
1761 1 4 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.195 -0.035 18107
1762 1 4 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.683 0.617 18107
1763 1 4 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.194 -0.174 18107
1764 1 4 . 1 1 87 87 ALA H H 104 7.721 7.721 7.697 0.024 18107
1765 1 4 . 1 1 88 88 LEU N N 105 120.380 120.380 118.921 1.459 18107
1766 1 4 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.000 -0.008 18107
1767 1 4 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.235 -0.049 18107
1768 1 4 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.053 1.751 18107
1769 1 4 . 1 1 88 88 LEU H H 105 7.762 7.762 8.127 -0.365 18107
1770 1 4 . 1 1 89 89 GLN N N 106 118.781 118.781 119.577 -0.796 18107
1771 1 4 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.911 -0.326 18107
1772 1 4 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.441 0.536 18107
1773 1 4 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.537 1.090 18107
1774 1 4 . 1 1 89 89 GLN H H 106 8.658 8.658 7.968 0.690 18107
1775 1 4 . 1 1 90 90 LYS N N 107 118.977 118.977 118.970 0.007 18107
1776 1 4 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.088 -0.140 18107
1777 1 4 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.390 1.105 18107
1778 1 4 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.799 0.624 18107
1779 1 4 . 1 1 90 90 LYS H H 107 7.786 7.786 7.686 0.100 18107
1780 1 4 . 1 1 91 91 ARG N N 108 117.470 117.470 120.003 -2.533 18107
1781 1 4 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.069 -0.066 18107
1782 1 4 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.860 -0.278 18107
1783 1 4 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.325 1.303 18107
1784 1 4 . 1 1 91 91 ARG H H 108 7.469 7.469 7.605 -0.136 18107
1785 1 4 . 1 1 92 92 VAL N N 109 117.865 117.865 120.298 -2.433 18107
1786 1 4 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.733 -0.251 18107
1787 1 4 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.816 0.796 18107
1788 1 4 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.724 0.486 18107
1789 1 4 . 1 1 92 92 VAL H H 109 8.084 8.084 8.531 -0.447 18107
1790 1 4 . 1 1 93 93 GLN N N 110 119.617 119.617 119.424 0.193 18107
1791 1 4 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.100 -0.224 18107
1792 1 4 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.519 0.715 18107
1793 1 4 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.597 0.427 18107
1794 1 4 . 1 1 93 93 GLN H H 110 8.512 8.512 8.286 0.226 18107
1795 1 4 . 1 1 94 94 ASP N N 111 117.490 117.490 118.343 -0.853 18107
1796 1 4 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.654 -0.163 18107
1797 1 4 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.720 -0.439 18107
1798 1 4 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.187 -1.352 18107
1799 1 4 . 1 1 94 94 ASP H H 111 8.194 8.194 7.913 0.281 18107
1800 1 4 . 1 1 95 95 SER N N 112 116.625 116.625 111.551 5.074 18107
1801 1 4 . 1 1 95 95 SER HA H 112 4.288 4.288 4.115 0.173 18107
1802 1 4 . 1 1 95 95 SER CA C 112 59.770 59.770 60.681 -0.910 18107
1803 1 4 . 1 1 95 95 SER CB C 112 63.990 63.990 62.085 1.905 18107
1804 1 4 . 1 1 95 95 SER H H 112 7.479 7.479 8.545 -1.066 18107
1805 1 5 . 1 1 2 2 THR HA H 19 4.222 4.222 4.252 -0.030 18107
1806 1 5 . 1 1 2 2 THR CA C 19 63.013 63.013 64.426 -1.413 18107
1807 1 5 . 1 1 2 2 THR CB C 19 69.504 69.504 69.011 0.493 18107
1808 1 5 . 1 1 3 3 ALA N N 20 125.065 125.065 122.880 2.185 18107
1809 1 5 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.330 -0.180 18107
1810 1 5 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.254 -0.298 18107
1811 1 5 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.741 1.256 18107
1812 1 5 . 1 1 3 3 ALA H H 20 8.404 8.404 8.303 0.101 18107
1813 1 5 . 1 1 4 4 THR N N 21 109.840 109.840 111.868 -2.028 18107
1814 1 5 . 1 1 4 4 THR HA H 21 4.235 4.235 4.044 0.191 18107
1815 1 5 . 1 1 4 4 THR CA C 21 64.668 64.668 65.448 -0.780 18107
1816 1 5 . 1 1 4 4 THR CB C 21 68.923 68.923 67.897 1.026 18107
1817 1 5 . 1 1 4 4 THR H H 21 7.910 7.910 8.078 -0.168 18107
1818 1 5 . 1 1 5 5 GLN N N 22 122.037 122.037 122.150 -0.113 18107
1819 1 5 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.109 -0.058 18107
1820 1 5 . 1 1 5 5 GLN CA C 22 58.164 58.164 59.395 -1.231 18107
1821 1 5 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.551 0.006 18107
1822 1 5 . 1 1 5 5 GLN H H 22 7.953 7.953 7.743 0.210 18107
1823 1 5 . 1 1 6 6 ARG N N 23 118.944 118.944 117.954 0.990 18107
1824 1 5 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.209 -0.103 18107
1825 1 5 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.731 -0.639 18107
1826 1 5 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.741 -0.594 18107
1827 1 5 . 1 1 6 6 ARG H H 23 7.922 7.922 7.686 0.236 18107
1828 1 5 . 1 1 7 7 PHE N N 24 116.543 116.543 114.677 1.866 18107
1829 1 5 . 1 1 7 7 PHE H H 24 8.276 8.276 7.853 0.423 18107
1830 1 5 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.770 -0.275 18107
1831 1 5 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.637 2.383 18107
1832 1 5 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.594 -1.542 18107
1833 1 5 . 1 1 9 9 GLU N N 26 118.298 118.298 119.647 -1.349 18107
1834 1 5 . 1 1 9 9 GLU HA H 26 3.990 3.990 3.877 0.113 18107
1835 1 5 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.258 -0.880 18107
1836 1 5 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.377 -0.065 18107
1837 1 5 . 1 1 9 9 GLU H H 26 8.148 8.148 7.777 0.371 18107
1838 1 5 . 1 1 10 10 ILE N N 27 121.761 121.761 118.183 3.578 18107
1839 1 5 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.713 0.251 18107
1840 1 5 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.236 -1.772 18107
1841 1 5 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.382 -0.132 18107
1842 1 5 . 1 1 10 10 ILE H H 27 8.165 8.165 8.118 0.047 18107
1843 1 5 . 1 1 11 11 GLU N N 28 122.042 122.042 120.892 1.150 18107
1844 1 5 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.075 -0.238 18107
1845 1 5 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.073 0.555 18107
1846 1 5 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.295 0.711 18107
1847 1 5 . 1 1 11 11 GLU H H 28 8.541 8.541 8.382 0.159 18107
1848 1 5 . 1 1 12 12 LYS N N 29 117.967 117.967 119.016 -1.049 18107
1849 1 5 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.116 -0.174 18107
1850 1 5 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.404 0.337 18107
1851 1 5 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.203 0.249 18107
1852 1 5 . 1 1 12 12 LYS H H 29 7.517 7.517 8.015 -0.498 18107
1853 1 5 . 1 1 13 13 PHE N N 30 122.144 122.144 120.580 1.564 18107
1854 1 5 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.274 0.155 18107
1855 1 5 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.144 -0.357 18107
1856 1 5 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.724 0.487 18107
1857 1 5 . 1 1 13 13 PHE H H 30 8.066 8.066 7.984 0.082 18107
1858 1 5 . 1 1 14 14 LEU N N 31 119.404 119.404 119.698 -0.294 18107
1859 1 5 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.036 -0.302 18107
1860 1 5 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.850 -1.086 18107
1861 1 5 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.499 -0.063 18107
1862 1 5 . 1 1 14 14 LEU H H 31 8.739 8.739 8.319 0.420 18107
1863 1 5 . 1 1 15 15 LEU N N 32 121.073 121.073 118.109 2.964 18107
1864 1 5 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.191 -0.231 18107
1865 1 5 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.198 0.134 18107
1866 1 5 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.288 0.673 18107
1867 1 5 . 1 1 15 15 LEU H H 32 7.736 7.736 7.777 -0.041 18107
1868 1 5 . 1 1 16 16 HIS N N 33 118.629 118.629 119.074 -0.445 18107
1869 1 5 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.369 -0.023 18107
1870 1 5 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.158 -0.513 18107
1871 1 5 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.401 -0.100 18107
1872 1 5 . 1 1 16 16 HIS H H 33 7.681 7.681 8.282 -0.601 18107
1873 1 5 . 1 1 17 17 ILE N N 34 118.602 118.602 120.087 -1.485 18107
1874 1 5 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.788 0.017 18107
1875 1 5 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.998 -1.491 18107
1876 1 5 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.211 -0.766 18107
1877 1 5 . 1 1 17 17 ILE H H 34 8.502 8.502 8.671 -0.169 18107
1878 1 5 . 1 1 18 18 THR N N 35 117.776 117.776 116.169 1.607 18107
1879 1 5 . 1 1 18 18 THR HA H 35 4.116 4.116 3.898 0.218 18107
1880 1 5 . 1 1 18 18 THR CA C 35 68.694 68.694 67.246 1.448 18107
1881 1 5 . 1 1 18 18 THR CB C 35 68.694 68.694 68.462 0.232 18107
1882 1 5 . 1 1 18 18 THR H H 35 7.726 7.726 7.828 -0.102 18107
1883 1 5 . 1 1 19 19 HIS N N 36 118.130 118.130 120.719 -2.589 18107
1884 1 5 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.248 0.153 18107
1885 1 5 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.105 -0.319 18107
1886 1 5 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.502 -0.432 18107
1887 1 5 . 1 1 19 19 HIS H H 36 7.177 7.177 7.843 -0.666 18107
1888 1 5 . 1 1 20 20 GLU N N 37 119.301 119.301 117.939 1.362 18107
1889 1 5 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.053 -0.003 18107
1890 1 5 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.577 -0.020 18107
1891 1 5 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.366 0.690 18107
1892 1 5 . 1 1 20 20 GLU H H 37 7.335 7.335 7.879 -0.544 18107
1893 1 5 . 1 1 21 21 VAL N N 38 122.744 122.744 119.809 2.935 18107
1894 1 5 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.645 -0.223 18107
1895 1 5 . 1 1 21 21 VAL CA C 38 67.049 67.049 67.150 -0.101 18107
1896 1 5 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.654 -0.281 18107
1897 1 5 . 1 1 21 21 VAL H H 38 8.385 8.385 7.765 0.620 18107
1898 1 5 . 1 1 22 22 ASP N N 39 120.471 120.471 119.471 1.000 18107
1899 1 5 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.363 -0.216 18107
1900 1 5 . 1 1 22 22 ASP CA C 39 57.726 57.726 58.106 -0.380 18107
1901 1 5 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.857 -0.470 18107
1902 1 5 . 1 1 22 22 ASP H H 39 8.054 8.054 7.762 0.292 18107
1903 1 5 . 1 1 23 23 ASP N N 40 118.541 118.541 119.951 -1.410 18107
1904 1 5 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.431 -0.011 18107
1905 1 5 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.526 -0.039 18107
1906 1 5 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.235 -0.061 18107
1907 1 5 . 1 1 23 23 ASP H H 40 7.587 7.587 7.871 -0.284 18107
1908 1 5 . 1 1 24 24 LEU N N 41 123.241 123.241 117.043 6.198 18107
1909 1 5 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.204 -0.036 18107
1910 1 5 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.038 -0.331 18107
1911 1 5 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.100 0.809 18107
1912 1 5 . 1 1 24 24 LEU H H 41 8.032 8.032 8.334 -0.302 18107
1913 1 5 . 1 1 25 25 GLU N N 42 117.508 117.508 119.642 -2.134 18107
1914 1 5 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.042 -0.122 18107
1915 1 5 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.356 -0.274 18107
1916 1 5 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.818 0.045 18107
1917 1 5 . 1 1 25 25 GLU H H 42 8.010 8.010 8.458 -0.448 18107
1918 1 5 . 1 1 26 26 LYS N N 43 117.032 117.032 114.968 2.064 18107
1919 1 5 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.372 -0.129 18107
1920 1 5 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.483 0.768 18107
1921 1 5 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.645 0.862 18107
1922 1 5 . 1 1 26 26 LYS H H 43 7.596 7.596 7.718 -0.122 18107
1923 1 5 . 1 1 27 27 THR N N 44 110.288 110.288 112.818 -2.530 18107
1924 1 5 . 1 1 27 27 THR HA H 44 4.271 4.271 4.459 -0.188 18107
1925 1 5 . 1 1 27 27 THR CA C 44 62.820 62.820 63.309 -0.488 18107
1926 1 5 . 1 1 27 27 THR CB C 44 70.733 70.733 70.524 0.209 18107
1927 1 5 . 1 1 27 27 THR H H 44 8.227 8.227 7.740 0.487 18107
1928 1 5 . 1 1 28 28 GLY N N 45 112.257 112.257 107.835 4.422 18107
1929 1 5 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.006 0.655 18107
1930 1 5 . 1 1 28 28 GLY H H 45 8.727 8.727 8.219 0.508 18107
1931 1 5 . 1 1 29 29 ASN N N 46 118.416 118.416 118.753 -0.337 18107
1932 1 5 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.407 0.062 18107
1933 1 5 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.819 0.478 18107
1934 1 5 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.133 1.977 18107
1935 1 5 . 1 1 29 29 ASN H H 46 7.716 7.716 8.590 -0.874 18107
1936 1 5 . 1 1 30 30 LYS N N 47 126.481 126.481 118.272 8.209 18107
1937 1 5 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.161 -0.173 18107
1938 1 5 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.434 0.756 18107
1939 1 5 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.605 -0.092 18107
1940 1 5 . 1 1 30 30 LYS H H 47 8.770 8.770 8.447 0.323 18107
1941 1 5 . 1 1 31 31 ASP N N 48 121.710 121.710 114.978 6.732 18107
1942 1 5 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.842 -0.375 18107
1943 1 5 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.433 3.202 18107
1944 1 5 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.447 -1.003 18107
1945 1 5 . 1 1 31 31 ASP H H 48 8.229 8.229 8.085 0.144 18107
1946 1 5 . 1 1 32 32 GLU N N 49 121.695 121.695 121.936 -0.241 18107
1947 1 5 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.132 0.225 18107
1948 1 5 . 1 1 32 32 GLU H H 49 8.048 8.048 8.718 -0.670 18107
1949 1 5 . 1 1 33 33 LYS N N 50 120.099 120.099 120.420 -0.321 18107
1950 1 5 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.965 -0.314 18107
1951 1 5 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.489 1.348 18107
1952 1 5 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.854 1.113 18107
1953 1 5 . 1 1 33 33 LYS H H 50 7.975 7.975 8.066 -0.091 18107
1954 1 5 . 1 1 34 34 ALA N N 51 118.238 118.238 120.367 -2.129 18107
1955 1 5 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.016 -0.027 18107
1956 1 5 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.179 0.214 18107
1957 1 5 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.233 -0.021 18107
1958 1 5 . 1 1 34 34 ALA H H 51 7.614 7.614 8.396 -0.782 18107
1959 1 5 . 1 1 35 35 ARG N N 52 120.311 120.311 119.437 0.874 18107
1960 1 5 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.108 1.783 18107
1961 1 5 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.044 1.006 18107
1962 1 5 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.513 -0.102 18107
1963 1 5 . 1 1 35 35 ARG H H 52 7.883 7.883 7.805 0.078 18107
1964 1 5 . 1 1 36 36 LEU N N 53 119.541 119.541 119.714 -0.173 18107
1965 1 5 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.135 -0.189 18107
1966 1 5 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.151 0.337 18107
1967 1 5 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.237 1.205 18107
1968 1 5 . 1 1 36 36 LEU H H 53 8.553 8.553 8.459 0.094 18107
1969 1 5 . 1 1 37 37 LEU N N 54 117.789 117.789 120.336 -2.547 18107
1970 1 5 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.900 0.165 18107
1971 1 5 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.989 0.653 18107
1972 1 5 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.347 -0.028 18107
1973 1 5 . 1 1 37 37 LEU H H 54 8.341 8.341 8.189 0.152 18107
1974 1 5 . 1 1 38 38 ARG N N 55 121.176 121.176 117.665 3.511 18107
1975 1 5 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.084 -0.016 18107
1976 1 5 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.409 1.916 18107
1977 1 5 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.458 0.612 18107
1978 1 5 . 1 1 38 38 ARG H H 55 7.864 7.864 7.822 0.042 18107
1979 1 5 . 1 1 39 39 GLU N N 56 119.256 119.256 121.026 -1.770 18107
1980 1 5 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.126 -0.066 18107
1981 1 5 . 1 1 39 39 GLU CA C 56 59.894 59.894 60.218 -0.324 18107
1982 1 5 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.376 0.525 18107
1983 1 5 . 1 1 39 39 GLU H H 56 8.390 8.390 7.773 0.617 18107
1984 1 5 . 1 1 40 40 LEU N N 57 120.312 120.312 116.965 3.347 18107
1985 1 5 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.459 -0.331 18107
1986 1 5 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.673 0.948 18107
1987 1 5 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.079 1.150 18107
1988 1 5 . 1 1 40 40 LEU H H 57 8.802 8.802 8.214 0.588 18107
1989 1 5 . 1 1 41 41 THR N N 58 117.791 117.791 118.070 -0.279 18107
1990 1 5 . 1 1 41 41 THR HA H 58 4.341 4.341 3.915 0.426 18107
1991 1 5 . 1 1 41 41 THR CA C 58 67.542 67.542 66.576 0.966 18107
1992 1 5 . 1 1 41 41 THR CB C 58 69.157 69.157 68.651 0.506 18107
1993 1 5 . 1 1 41 41 THR H H 58 8.182 8.182 7.909 0.273 18107
1994 1 5 . 1 1 42 42 VAL N N 59 123.554 123.554 120.446 3.108 18107
1995 1 5 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.598 0.125 18107
1996 1 5 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.378 1.477 18107
1997 1 5 . 1 1 42 42 VAL H H 59 7.978 7.978 8.288 -0.310 18107
1998 1 5 . 1 1 43 43 SER N N 60 116.859 116.859 115.427 1.432 18107
1999 1 5 . 1 1 43 43 SER HA H 60 4.155 4.155 2.303 1.852 18107
2000 1 5 . 1 1 43 43 SER CA C 60 63.412 63.412 60.873 2.539 18107
2001 1 5 . 1 1 43 43 SER H H 60 7.715 7.715 7.714 0.001 18107
2002 1 5 . 1 1 44 44 GLU N N 61 124.072 124.072 121.124 2.948 18107
2003 1 5 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.829 -0.203 18107
2004 1 5 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.846 1.656 18107
2005 1 5 . 1 1 44 44 GLU CB C 61 29.794 29.794 28.972 0.822 18107
2006 1 5 . 1 1 44 44 GLU H H 61 8.517 8.517 8.375 0.142 18107
2007 1 5 . 1 1 45 45 ALA N N 62 120.467 120.467 122.926 -2.459 18107
2008 1 5 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.027 0.122 18107
2009 1 5 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.611 0.616 18107
2010 1 5 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.479 -0.634 18107
2011 1 5 . 1 1 45 45 ALA H H 62 7.853 7.853 7.417 0.436 18107
2012 1 5 . 1 1 46 46 PHE N N 63 119.936 119.936 115.855 4.081 18107
2013 1 5 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.353 -0.088 18107
2014 1 5 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.043 3.493 18107
2015 1 5 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.769 1.423 18107
2016 1 5 . 1 1 46 46 PHE H H 63 7.946 7.946 6.979 0.967 18107
2017 1 5 . 1 1 47 47 ILE N N 64 122.630 122.630 121.894 0.736 18107
2018 1 5 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.745 -0.125 18107
2019 1 5 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.405 1.953 18107
2020 1 5 . 1 1 47 47 ILE CB C 64 38.381 38.381 38.228 0.153 18107
2021 1 5 . 1 1 47 47 ILE H H 64 8.595 8.595 7.934 0.660 18107
2022 1 5 . 1 1 48 48 GLU N N 65 120.257 120.257 119.449 0.808 18107
2023 1 5 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.018 0.571 18107
2024 1 5 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.718 -0.362 18107
2025 1 5 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.383 0.218 18107
2026 1 5 . 1 1 48 48 GLU H H 65 9.078 9.078 8.360 0.718 18107
2027 1 5 . 1 1 49 49 GLY N N 66 108.368 108.368 107.215 1.153 18107
2028 1 5 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.822 0.331 18107
2029 1 5 . 1 1 49 49 GLY H H 66 8.379 8.379 7.933 0.446 18107
2030 1 5 . 1 1 50 50 SER N N 67 119.358 119.358 118.280 1.078 18107
2031 1 5 . 1 1 50 50 SER HA H 67 3.988 3.988 4.021 -0.033 18107
2032 1 5 . 1 1 50 50 SER CA C 67 62.501 62.501 61.673 0.828 18107
2033 1 5 . 1 1 50 50 SER CB C 67 63.441 63.441 62.691 0.750 18107
2034 1 5 . 1 1 50 50 SER H H 67 7.694 7.694 8.002 -0.308 18107
2035 1 5 . 1 1 51 51 ARG N N 68 121.212 121.212 121.158 0.054 18107
2036 1 5 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.181 -0.273 18107
2037 1 5 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.663 1.378 18107
2038 1 5 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.135 0.622 18107
2039 1 5 . 1 1 51 51 ARG H H 68 8.684 8.684 7.845 0.839 18107
2040 1 5 . 1 1 52 52 GLY N N 69 124.556 124.556 106.589 17.967 18107
2041 1 5 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.747 0.516 18107
2042 1 5 . 1 1 52 52 GLY H H 69 8.068 8.068 8.002 0.066 18107
2043 1 5 . 1 1 53 53 TYR N N 70 123.123 123.123 123.468 -0.345 18107
2044 1 5 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.120 -0.051 18107
2045 1 5 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.461 -0.641 18107
2046 1 5 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.495 -0.747 18107
2047 1 5 . 1 1 53 53 TYR H H 70 7.337 7.337 7.618 -0.281 18107
2048 1 5 . 1 1 54 54 PHE N N 71 117.809 117.809 118.053 -0.244 18107
2049 1 5 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.012 -0.345 18107
2050 1 5 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.349 0.140 18107
2051 1 5 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.769 0.980 18107
2052 1 5 . 1 1 54 54 PHE H H 71 7.965 7.965 7.561 0.404 18107
2053 1 5 . 1 1 55 55 GLN N N 72 115.519 115.519 118.571 -3.052 18107
2054 1 5 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.066 -0.208 18107
2055 1 5 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.101 0.507 18107
2056 1 5 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.509 0.487 18107
2057 1 5 . 1 1 55 55 GLN H H 72 8.522 8.522 7.892 0.630 18107
2058 1 5 . 1 1 56 56 ARG N N 73 118.947 118.947 118.554 0.393 18107
2059 1 5 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.070 -0.198 18107
2060 1 5 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.791 1.130 18107
2061 1 5 . 1 1 56 56 ARG CB C 73 30.086 30.086 30.024 0.062 18107
2062 1 5 . 1 1 56 56 ARG H H 73 7.677 7.677 7.769 -0.092 18107
2063 1 5 . 1 1 57 57 GLU N N 74 121.204 121.204 121.880 -0.676 18107
2064 1 5 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.913 -0.231 18107
2065 1 5 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.080 -0.146 18107
2066 1 5 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.995 0.698 18107
2067 1 5 . 1 1 57 57 GLU H H 74 7.897 7.897 8.203 -0.306 18107
2068 1 5 . 1 1 58 58 LEU N N 75 115.348 115.348 118.556 -3.208 18107
2069 1 5 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.150 -0.090 18107
2070 1 5 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.729 -0.835 18107
2071 1 5 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.168 0.162 18107
2072 1 5 . 1 1 58 58 LEU H H 75 7.746 7.746 7.720 0.026 18107
2073 1 5 . 1 1 59 59 LYS N N 76 117.429 117.429 116.404 1.025 18107
2074 1 5 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.266 -0.066 18107
2075 1 5 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.767 -0.159 18107
2076 1 5 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.434 0.448 18107
2077 1 5 . 1 1 59 59 LYS H H 76 7.233 7.233 7.718 -0.485 18107
2078 1 5 . 1 1 60 60 ARG N N 77 120.555 120.555 120.786 -0.231 18107
2079 1 5 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.069 0.057 18107
2080 1 5 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.733 -1.034 18107
2081 1 5 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.455 1.343 18107
2082 1 5 . 1 1 60 60 ARG H H 77 7.701 7.701 7.990 -0.289 18107
2083 1 5 . 1 1 61 61 THR N N 78 111.768 111.768 107.852 3.916 18107
2084 1 5 . 1 1 61 61 THR HA H 78 4.414 4.414 4.083 0.331 18107
2085 1 5 . 1 1 61 61 THR CA C 78 62.557 62.557 64.353 -1.796 18107
2086 1 5 . 1 1 61 61 THR CB C 78 69.221 69.221 67.708 1.513 18107
2087 1 5 . 1 1 61 61 THR H H 78 8.638 8.638 8.238 0.400 18107
2088 1 5 . 1 1 62 62 ASP N N 79 120.616 120.616 120.061 0.555 18107
2089 1 5 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.847 -0.215 18107
2090 1 5 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.335 -1.373 18107
2091 1 5 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.508 -1.262 18107
2092 1 5 . 1 1 62 62 ASP H H 79 8.465 8.465 8.466 -0.001 18107
2093 1 5 . 1 1 63 63 LEU N N 80 120.063 120.063 116.987 3.076 18107
2094 1 5 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.091 -0.846 18107
2095 1 5 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.718 1.494 18107
2096 1 5 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.989 -2.194 18107
2097 1 5 . 1 1 63 63 LEU H H 80 7.157 7.157 7.554 -0.397 18107
2098 1 5 . 1 1 64 64 ASP N N 81 125.396 125.396 121.970 3.426 18107
2099 1 5 . 1 1 64 64 ASP HA H 81 4.569 4.569 5.045 -0.476 18107
2100 1 5 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.141 0.836 18107
2101 1 5 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.128 -0.328 18107
2102 1 5 . 1 1 64 64 ASP H H 81 8.926 8.926 8.145 0.781 18107
2103 1 5 . 1 1 65 65 LEU N N 82 122.508 122.508 119.289 3.219 18107
2104 1 5 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.310 -0.472 18107
2105 1 5 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.983 0.837 18107
2106 1 5 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.901 0.294 18107
2107 1 5 . 1 1 65 65 LEU H H 82 8.281 8.281 8.203 0.078 18107
2108 1 5 . 1 1 66 66 LEU N N 83 119.413 119.413 120.864 -1.451 18107
2109 1 5 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.010 0.062 18107
2110 1 5 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.319 -0.291 18107
2111 1 5 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.382 0.969 18107
2112 1 5 . 1 1 66 66 LEU H H 83 8.149 8.149 8.177 -0.028 18107
2113 1 5 . 1 1 67 67 GLU N N 84 119.941 119.941 118.145 1.796 18107
2114 1 5 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.790 0.056 18107
2115 1 5 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.515 -0.992 18107
2116 1 5 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.158 1.054 18107
2117 1 5 . 1 1 67 67 GLU H H 84 7.725 7.725 8.487 -0.762 18107
2118 1 5 . 1 1 68 68 LYS N N 85 119.400 119.400 119.981 -0.581 18107
2119 1 5 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.839 -0.038 18107
2120 1 5 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.094 1.726 18107
2121 1 5 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.235 0.680 18107
2122 1 5 . 1 1 68 68 LYS H H 85 8.117 8.117 8.084 0.033 18107
2123 1 5 . 1 1 69 69 PHE N N 86 117.969 117.969 119.249 -1.280 18107
2124 1 5 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.122 0.167 18107
2125 1 5 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.411 -0.542 18107
2126 1 5 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.798 -0.043 18107
2127 1 5 . 1 1 69 69 PHE H H 86 7.975 7.975 8.045 -0.070 18107
2128 1 5 . 1 1 70 70 ASN N N 87 118.904 118.904 118.363 0.541 18107
2129 1 5 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.417 -0.056 18107
2130 1 5 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.636 -0.368 18107
2131 1 5 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.127 -0.029 18107
2132 1 5 . 1 1 70 70 ASN H H 87 8.259 8.259 7.357 0.902 18107
2133 1 5 . 1 1 71 71 PHE N N 88 121.068 121.068 118.276 2.792 18107
2134 1 5 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.311 0.955 18107
2135 1 5 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.545 1.242 18107
2136 1 5 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.191 0.839 18107
2137 1 5 . 1 1 71 71 PHE H H 88 8.618 8.618 7.390 1.228 18107
2138 1 5 . 1 1 72 72 GLU N N 89 120.500 120.500 119.364 1.136 18107
2139 1 5 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.884 -0.031 18107
2140 1 5 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.377 1.120 18107
2141 1 5 . 1 1 72 72 GLU CB C 89 29.511 29.511 28.991 0.519 18107
2142 1 5 . 1 1 72 72 GLU H H 89 8.709 8.709 8.628 0.081 18107
2143 1 5 . 1 1 73 73 ALA N N 90 123.117 123.117 121.977 1.140 18107
2144 1 5 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.012 0.026 18107
2145 1 5 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.762 0.239 18107
2146 1 5 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.090 -0.142 18107
2147 1 5 . 1 1 73 73 ALA H H 90 8.158 8.158 7.899 0.259 18107
2148 1 5 . 1 1 74 74 ALA N N 91 122.919 122.919 121.179 1.740 18107
2149 1 5 . 1 1 74 74 ALA HA H 91 3.951 3.951 3.536 0.415 18107
2150 1 5 . 1 1 74 74 ALA CA C 91 55.279 55.279 53.819 1.460 18107
2151 1 5 . 1 1 74 74 ALA CB C 91 17.666 17.666 17.927 -0.261 18107
2152 1 5 . 1 1 74 74 ALA H H 91 7.841 7.841 7.978 -0.137 18107
2153 1 5 . 1 1 75 75 LEU N N 92 119.956 119.956 119.474 0.482 18107
2154 1 5 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.035 0.012 18107
2155 1 5 . 1 1 75 75 LEU CA C 92 58.459 58.459 57.977 0.482 18107
2156 1 5 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.743 0.416 18107
2157 1 5 . 1 1 75 75 LEU H H 92 8.091 8.091 8.214 -0.123 18107
2158 1 5 . 1 1 76 76 ALA N N 93 120.763 120.763 120.807 -0.044 18107
2159 1 5 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.065 0.065 18107
2160 1 5 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.361 0.043 18107
2161 1 5 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.193 -0.323 18107
2162 1 5 . 1 1 76 76 ALA H H 93 7.774 7.774 7.740 0.034 18107
2163 1 5 . 1 1 77 77 THR N N 94 117.510 117.510 115.056 2.454 18107
2164 1 5 . 1 1 77 77 THR HA H 94 4.234 4.234 3.989 0.245 18107
2165 1 5 . 1 1 77 77 THR CA C 94 67.364 67.364 66.868 0.495 18107
2166 1 5 . 1 1 77 77 THR CB C 94 68.779 68.779 68.404 0.375 18107
2167 1 5 . 1 1 77 77 THR H H 94 8.188 8.188 7.568 0.620 18107
2168 1 5 . 1 1 78 78 GLY N N 95 110.009 110.009 110.181 -0.172 18107
2169 1 5 . 1 1 78 78 GLY CA C 95 48.150 48.150 47.257 0.893 18107
2170 1 5 . 1 1 78 78 GLY H H 95 8.547 8.547 8.723 -0.176 18107
2171 1 5 . 1 1 79 79 ASP N N 96 121.634 121.634 122.990 -1.356 18107
2172 1 5 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.529 -0.261 18107
2173 1 5 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.468 0.468 18107
2174 1 5 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.845 -0.205 18107
2175 1 5 . 1 1 79 79 ASP H H 96 8.548 8.548 8.151 0.397 18107
2176 1 5 . 1 1 80 80 LEU N N 97 122.599 122.599 119.692 2.907 18107
2177 1 5 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.104 -0.096 18107
2178 1 5 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.840 0.602 18107
2179 1 5 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.264 -0.335 18107
2180 1 5 . 1 1 80 80 LEU H H 97 7.618 7.618 7.733 -0.115 18107
2181 1 5 . 1 1 81 81 LEU N N 98 119.913 119.913 117.530 2.383 18107
2182 1 5 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.214 -0.183 18107
2183 1 5 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.208 -0.400 18107
2184 1 5 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.407 0.954 18107
2185 1 5 . 1 1 81 81 LEU H H 98 8.224 8.224 7.875 0.349 18107
2186 1 5 . 1 1 82 82 LEU N N 99 118.616 118.616 120.730 -2.114 18107
2187 1 5 . 1 1 82 82 LEU HA H 99 3.975 3.975 4.061 -0.086 18107
2188 1 5 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.997 0.072 18107
2189 1 5 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.084 1.081 18107
2190 1 5 . 1 1 82 82 LEU H H 99 8.359 8.359 8.851 -0.492 18107
2191 1 5 . 1 1 83 83 LYS N N 100 118.988 118.988 119.443 -0.455 18107
2192 1 5 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.034 -0.150 18107
2193 1 5 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.856 0.411 18107
2194 1 5 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.168 0.003 18107
2195 1 5 . 1 1 83 83 LYS H H 100 7.566 7.566 7.919 -0.353 18107
2196 1 5 . 1 1 84 84 ASP N N 101 121.591 121.591 120.778 0.813 18107
2197 1 5 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.474 -0.077 18107
2198 1 5 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.252 0.444 18107
2199 1 5 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.289 -0.884 18107
2200 1 5 . 1 1 84 84 ASP H H 101 7.743 7.743 8.007 -0.264 18107
2201 1 5 . 1 1 85 85 LEU N N 102 123.215 123.215 121.258 1.957 18107
2202 1 5 . 1 1 85 85 LEU HA H 102 3.850 3.850 4.010 -0.160 18107
2203 1 5 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.351 1.490 18107
2204 1 5 . 1 1 85 85 LEU CB C 102 42.572 42.572 42.043 0.529 18107
2205 1 5 . 1 1 85 85 LEU H H 102 8.760 8.760 8.323 0.437 18107
2206 1 5 . 1 1 86 86 LYS N N 103 119.648 119.648 118.557 1.091 18107
2207 1 5 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.986 0.082 18107
2208 1 5 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.521 -0.729 18107
2209 1 5 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.767 -0.635 18107
2210 1 5 . 1 1 86 86 LYS H H 103 8.883 8.883 7.886 0.997 18107
2211 1 5 . 1 1 87 87 ALA N N 104 122.844 122.844 122.400 0.444 18107
2212 1 5 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.186 -0.026 18107
2213 1 5 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.735 0.565 18107
2214 1 5 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.431 -0.411 18107
2215 1 5 . 1 1 87 87 ALA H H 104 7.721 7.721 7.688 0.033 18107
2216 1 5 . 1 1 88 88 LEU N N 105 120.380 120.380 118.769 1.611 18107
2217 1 5 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.090 -0.098 18107
2218 1 5 . 1 1 88 88 LEU CA C 105 58.186 58.186 57.980 0.206 18107
2219 1 5 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.254 1.550 18107
2220 1 5 . 1 1 88 88 LEU H H 105 7.762 7.762 8.352 -0.590 18107
2221 1 5 . 1 1 89 89 GLN N N 106 118.781 118.781 119.770 -0.989 18107
2222 1 5 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.951 -0.366 18107
2223 1 5 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.565 0.412 18107
2224 1 5 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.406 1.221 18107
2225 1 5 . 1 1 89 89 GLN H H 106 8.658 8.658 8.619 0.039 18107
2226 1 5 . 1 1 90 90 LYS N N 107 118.977 118.977 119.785 -0.808 18107
2227 1 5 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.095 -0.147 18107
2228 1 5 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.487 0.008 18107
2229 1 5 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.076 0.347 18107
2230 1 5 . 1 1 90 90 LYS H H 107 7.786 7.786 7.759 0.027 18107
2231 1 5 . 1 1 91 91 ARG N N 108 117.470 117.470 120.531 -3.061 18107
2232 1 5 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.067 -0.064 18107
2233 1 5 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.550 0.032 18107
2234 1 5 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.270 1.357 18107
2235 1 5 . 1 1 91 91 ARG H H 108 7.469 7.469 7.618 -0.149 18107
2236 1 5 . 1 1 92 92 VAL N N 109 117.865 117.865 120.037 -2.172 18107
2237 1 5 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.651 -0.169 18107
2238 1 5 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.606 0.005 18107
2239 1 5 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.803 0.408 18107
2240 1 5 . 1 1 92 92 VAL H H 109 8.084 8.084 8.368 -0.284 18107
2241 1 5 . 1 1 93 93 GLN N N 110 119.617 119.617 117.970 1.647 18107
2242 1 5 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.049 -0.173 18107
2243 1 5 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.679 0.555 18107
2244 1 5 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.610 0.414 18107
2245 1 5 . 1 1 93 93 GLN H H 110 8.512 8.512 8.356 0.156 18107
2246 1 5 . 1 1 94 94 ASP N N 111 117.490 117.490 120.406 -2.916 18107
2247 1 5 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.460 0.031 18107
2248 1 5 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.606 -1.325 18107
2249 1 5 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.886 -0.051 18107
2250 1 5 . 1 1 94 94 ASP H H 111 8.194 8.194 8.286 -0.092 18107
2251 1 5 . 1 1 95 95 SER N N 112 116.625 116.625 113.562 3.063 18107
2252 1 5 . 1 1 95 95 SER HA H 112 4.288 4.288 4.170 0.118 18107
2253 1 5 . 1 1 95 95 SER CA C 112 59.770 59.770 61.006 -1.236 18107
2254 1 5 . 1 1 95 95 SER CB C 112 63.990 63.990 63.758 0.232 18107
2255 1 5 . 1 1 95 95 SER H H 112 7.479 7.479 7.812 -0.333 18107
2256 1 6 . 1 1 2 2 THR HA H 19 4.222 4.222 4.137 0.085 18107
2257 1 6 . 1 1 2 2 THR CA C 19 63.013 63.013 65.414 -2.401 18107
2258 1 6 . 1 1 2 2 THR CB C 19 69.504 69.504 68.896 0.608 18107
2259 1 6 . 1 1 3 3 ALA N N 20 125.065 125.065 123.673 1.392 18107
2260 1 6 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.006 0.144 18107
2261 1 6 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.003 -0.047 18107
2262 1 6 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.281 0.716 18107
2263 1 6 . 1 1 3 3 ALA H H 20 8.404 8.404 8.428 -0.024 18107
2264 1 6 . 1 1 4 4 THR N N 21 109.840 109.840 112.126 -2.286 18107
2265 1 6 . 1 1 4 4 THR HA H 21 4.235 4.235 4.033 0.202 18107
2266 1 6 . 1 1 4 4 THR CA C 21 64.668 64.668 65.074 -0.406 18107
2267 1 6 . 1 1 4 4 THR CB C 21 68.923 68.923 67.283 1.640 18107
2268 1 6 . 1 1 4 4 THR H H 21 7.910 7.910 8.261 -0.351 18107
2269 1 6 . 1 1 5 5 GLN N N 22 122.037 122.037 118.990 3.047 18107
2270 1 6 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.020 0.031 18107
2271 1 6 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.622 -0.458 18107
2272 1 6 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.675 -0.118 18107
2273 1 6 . 1 1 5 5 GLN H H 22 7.953 7.953 7.618 0.335 18107
2274 1 6 . 1 1 6 6 ARG N N 23 118.944 118.944 120.143 -1.199 18107
2275 1 6 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.108 -0.002 18107
2276 1 6 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.472 -0.380 18107
2277 1 6 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.102 0.045 18107
2278 1 6 . 1 1 6 6 ARG H H 23 7.922 7.922 7.346 0.576 18107
2279 1 6 . 1 1 7 7 PHE N N 24 116.543 116.543 115.212 1.331 18107
2280 1 6 . 1 1 7 7 PHE H H 24 8.276 8.276 7.681 0.595 18107
2281 1 6 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.477 0.018 18107
2282 1 6 . 1 1 8 8 HIS CA C 25 60.020 60.020 59.289 0.731 18107
2283 1 6 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.879 -0.827 18107
2284 1 6 . 1 1 9 9 GLU N N 26 118.298 118.298 118.700 -0.402 18107
2285 1 6 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.056 -0.066 18107
2286 1 6 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.650 -0.272 18107
2287 1 6 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.373 -0.061 18107
2288 1 6 . 1 1 9 9 GLU H H 26 8.148 8.148 8.623 -0.475 18107
2289 1 6 . 1 1 10 10 ILE N N 27 121.761 121.761 117.099 4.662 18107
2290 1 6 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.726 0.238 18107
2291 1 6 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.198 0.265 18107
2292 1 6 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.769 0.481 18107
2293 1 6 . 1 1 10 10 ILE H H 27 8.165 8.165 8.076 0.089 18107
2294 1 6 . 1 1 11 11 GLU N N 28 122.042 122.042 121.687 0.355 18107
2295 1 6 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.971 -0.134 18107
2296 1 6 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.048 0.580 18107
2297 1 6 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.493 0.513 18107
2298 1 6 . 1 1 11 11 GLU H H 28 8.541 8.541 7.790 0.751 18107
2299 1 6 . 1 1 12 12 LYS N N 29 117.967 117.967 118.862 -0.895 18107
2300 1 6 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.063 -0.121 18107
2301 1 6 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.446 0.295 18107
2302 1 6 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.240 0.211 18107
2303 1 6 . 1 1 12 12 LYS H H 29 7.517 7.517 7.855 -0.338 18107
2304 1 6 . 1 1 13 13 PHE N N 30 122.144 122.144 120.185 1.959 18107
2305 1 6 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.334 0.095 18107
2306 1 6 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.111 -0.324 18107
2307 1 6 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.642 0.569 18107
2308 1 6 . 1 1 13 13 PHE H H 30 8.066 8.066 8.054 0.012 18107
2309 1 6 . 1 1 14 14 LEU N N 31 119.404 119.404 120.093 -0.689 18107
2310 1 6 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.010 -0.276 18107
2311 1 6 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.939 -1.175 18107
2312 1 6 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.657 -0.221 18107
2313 1 6 . 1 1 14 14 LEU H H 31 8.739 8.739 8.445 0.294 18107
2314 1 6 . 1 1 15 15 LEU N N 32 121.073 121.073 118.228 2.845 18107
2315 1 6 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.109 -0.149 18107
2316 1 6 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.423 -0.091 18107
2317 1 6 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.200 0.763 18107
2318 1 6 . 1 1 15 15 LEU H H 32 7.736 7.736 7.636 0.100 18107
2319 1 6 . 1 1 16 16 HIS N N 33 118.629 118.629 119.794 -1.165 18107
2320 1 6 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.391 -0.045 18107
2321 1 6 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.144 -0.499 18107
2322 1 6 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.710 -0.409 18107
2323 1 6 . 1 1 16 16 HIS H H 33 7.681 7.681 8.088 -0.407 18107
2324 1 6 . 1 1 17 17 ILE N N 34 118.602 118.602 120.297 -1.695 18107
2325 1 6 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.774 0.031 18107
2326 1 6 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.930 -1.423 18107
2327 1 6 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.051 -0.606 18107
2328 1 6 . 1 1 17 17 ILE H H 34 8.502 8.502 8.838 -0.336 18107
2329 1 6 . 1 1 18 18 THR N N 35 117.776 117.776 116.159 1.617 18107
2330 1 6 . 1 1 18 18 THR HA H 35 4.116 4.116 3.973 0.143 18107
2331 1 6 . 1 1 18 18 THR CA C 35 68.694 68.694 66.643 2.051 18107
2332 1 6 . 1 1 18 18 THR CB C 35 68.694 68.694 68.067 0.627 18107
2333 1 6 . 1 1 18 18 THR H H 35 7.726 7.726 7.833 -0.107 18107
2334 1 6 . 1 1 19 19 HIS N N 36 118.130 118.130 120.821 -2.691 18107
2335 1 6 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.153 0.248 18107
2336 1 6 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.121 -0.335 18107
2337 1 6 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.928 -0.858 18107
2338 1 6 . 1 1 19 19 HIS H H 36 7.177 7.177 7.790 -0.613 18107
2339 1 6 . 1 1 20 20 GLU N N 37 119.301 119.301 118.468 0.833 18107
2340 1 6 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.989 0.061 18107
2341 1 6 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.554 0.002 18107
2342 1 6 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.508 0.548 18107
2343 1 6 . 1 1 20 20 GLU H H 37 7.335 7.335 7.832 -0.497 18107
2344 1 6 . 1 1 21 21 VAL N N 38 122.744 122.744 119.831 2.913 18107
2345 1 6 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.643 -0.221 18107
2346 1 6 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.343 0.706 18107
2347 1 6 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.479 -0.106 18107
2348 1 6 . 1 1 21 21 VAL H H 38 8.385 8.385 7.735 0.650 18107
2349 1 6 . 1 1 22 22 ASP N N 39 120.471 120.471 120.680 -0.209 18107
2350 1 6 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.411 -0.264 18107
2351 1 6 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.116 0.610 18107
2352 1 6 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.738 -0.351 18107
2353 1 6 . 1 1 22 22 ASP H H 39 8.054 8.054 7.854 0.200 18107
2354 1 6 . 1 1 23 23 ASP N N 40 118.541 118.541 120.026 -1.485 18107
2355 1 6 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.370 0.050 18107
2356 1 6 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.954 -0.467 18107
2357 1 6 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.049 0.125 18107
2358 1 6 . 1 1 23 23 ASP H H 40 7.587 7.587 7.831 -0.244 18107
2359 1 6 . 1 1 24 24 LEU N N 41 123.241 123.241 117.221 6.020 18107
2360 1 6 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.159 0.009 18107
2361 1 6 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.221 -0.514 18107
2362 1 6 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.211 0.698 18107
2363 1 6 . 1 1 24 24 LEU H H 41 8.032 8.032 8.197 -0.165 18107
2364 1 6 . 1 1 25 25 GLU N N 42 117.508 117.508 120.525 -3.017 18107
2365 1 6 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.231 -0.311 18107
2366 1 6 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.135 -0.053 18107
2367 1 6 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.762 0.101 18107
2368 1 6 . 1 1 25 25 GLU H H 42 8.010 8.010 8.260 -0.250 18107
2369 1 6 . 1 1 26 26 LYS N N 43 117.032 117.032 115.226 1.806 18107
2370 1 6 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.355 -0.112 18107
2371 1 6 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.515 0.736 18107
2372 1 6 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.194 1.313 18107
2373 1 6 . 1 1 26 26 LYS H H 43 7.596 7.596 7.748 -0.152 18107
2374 1 6 . 1 1 27 27 THR N N 44 110.288 110.288 112.376 -2.088 18107
2375 1 6 . 1 1 27 27 THR HA H 44 4.271 4.271 4.462 -0.191 18107
2376 1 6 . 1 1 27 27 THR CA C 44 62.820 62.820 63.169 -0.349 18107
2377 1 6 . 1 1 27 27 THR CB C 44 70.733 70.733 70.641 0.092 18107
2378 1 6 . 1 1 27 27 THR H H 44 8.227 8.227 7.375 0.852 18107
2379 1 6 . 1 1 28 28 GLY N N 45 112.257 112.257 107.456 4.801 18107
2380 1 6 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.689 0.972 18107
2381 1 6 . 1 1 28 28 GLY H H 45 8.727 8.727 8.226 0.501 18107
2382 1 6 . 1 1 29 29 ASN N N 46 118.416 118.416 119.057 -0.641 18107
2383 1 6 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.319 0.150 18107
2384 1 6 . 1 1 29 29 ASN CA C 46 54.297 54.297 54.038 0.259 18107
2385 1 6 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.339 2.771 18107
2386 1 6 . 1 1 29 29 ASN H H 46 7.716 7.716 8.228 -0.512 18107
2387 1 6 . 1 1 30 30 LYS N N 47 126.481 126.481 119.220 7.261 18107
2388 1 6 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.143 -0.155 18107
2389 1 6 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.502 0.689 18107
2390 1 6 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.343 0.170 18107
2391 1 6 . 1 1 30 30 LYS H H 47 8.770 8.770 8.482 0.288 18107
2392 1 6 . 1 1 31 31 ASP N N 48 121.710 121.710 115.157 6.553 18107
2393 1 6 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.781 -0.314 18107
2394 1 6 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.252 3.383 18107
2395 1 6 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.839 -1.395 18107
2396 1 6 . 1 1 31 31 ASP H H 48 8.229 8.229 8.099 0.130 18107
2397 1 6 . 1 1 32 32 GLU N N 49 121.695 121.695 122.015 -0.320 18107
2398 1 6 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.197 0.160 18107
2399 1 6 . 1 1 32 32 GLU H H 49 8.048 8.048 8.689 -0.641 18107
2400 1 6 . 1 1 33 33 LYS N N 50 120.099 120.099 118.412 1.687 18107
2401 1 6 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.905 -0.254 18107
2402 1 6 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.564 0.273 18107
2403 1 6 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.859 1.108 18107
2404 1 6 . 1 1 33 33 LYS H H 50 7.975 7.975 8.474 -0.499 18107
2405 1 6 . 1 1 34 34 ALA N N 51 118.238 118.238 119.973 -1.735 18107
2406 1 6 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.003 -0.014 18107
2407 1 6 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.025 0.368 18107
2408 1 6 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.431 -0.219 18107
2409 1 6 . 1 1 34 34 ALA H H 51 7.614 7.614 8.369 -0.755 18107
2410 1 6 . 1 1 35 35 ARG N N 52 120.311 120.311 119.528 0.783 18107
2411 1 6 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.104 1.787 18107
2412 1 6 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.332 0.718 18107
2413 1 6 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.415 -0.004 18107
2414 1 6 . 1 1 35 35 ARG H H 52 7.883 7.883 7.667 0.216 18107
2415 1 6 . 1 1 36 36 LEU N N 53 119.541 119.541 120.025 -0.484 18107
2416 1 6 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.107 -0.161 18107
2417 1 6 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.454 0.035 18107
2418 1 6 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.316 1.126 18107
2419 1 6 . 1 1 36 36 LEU H H 53 8.553 8.553 8.660 -0.107 18107
2420 1 6 . 1 1 37 37 LEU N N 54 117.789 117.789 120.151 -2.362 18107
2421 1 6 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.900 0.165 18107
2422 1 6 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.914 0.728 18107
2423 1 6 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.387 -0.068 18107
2424 1 6 . 1 1 37 37 LEU H H 54 8.341 8.341 8.569 -0.228 18107
2425 1 6 . 1 1 38 38 ARG N N 55 121.176 121.176 118.874 2.302 18107
2426 1 6 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.091 -0.023 18107
2427 1 6 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.247 2.078 18107
2428 1 6 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.502 0.569 18107
2429 1 6 . 1 1 38 38 ARG H H 55 7.864 7.864 7.818 0.046 18107
2430 1 6 . 1 1 39 39 GLU N N 56 119.256 119.256 119.800 -0.544 18107
2431 1 6 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.099 -0.039 18107
2432 1 6 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.457 0.437 18107
2433 1 6 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.219 0.682 18107
2434 1 6 . 1 1 39 39 GLU H H 56 8.390 8.390 7.787 0.603 18107
2435 1 6 . 1 1 40 40 LEU N N 57 120.312 120.312 118.364 1.948 18107
2436 1 6 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.224 -0.096 18107
2437 1 6 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.284 0.337 18107
2438 1 6 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.288 0.940 18107
2439 1 6 . 1 1 40 40 LEU H H 57 8.802 8.802 8.008 0.794 18107
2440 1 6 . 1 1 41 41 THR N N 58 117.791 117.791 117.410 0.381 18107
2441 1 6 . 1 1 41 41 THR HA H 58 4.341 4.341 4.073 0.268 18107
2442 1 6 . 1 1 41 41 THR CA C 58 67.542 67.542 67.538 0.004 18107
2443 1 6 . 1 1 41 41 THR CB C 58 69.157 69.157 68.763 0.394 18107
2444 1 6 . 1 1 41 41 THR H H 58 8.182 8.182 7.851 0.331 18107
2445 1 6 . 1 1 42 42 VAL N N 59 123.554 123.554 121.135 2.419 18107
2446 1 6 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.491 0.232 18107
2447 1 6 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.910 -0.055 18107
2448 1 6 . 1 1 42 42 VAL H H 59 7.978 7.978 8.307 -0.329 18107
2449 1 6 . 1 1 43 43 SER N N 60 116.859 116.859 115.044 1.815 18107
2450 1 6 . 1 1 43 43 SER HA H 60 4.155 4.155 2.183 1.972 18107
2451 1 6 . 1 1 43 43 SER CA C 60 63.412 63.412 60.957 2.455 18107
2452 1 6 . 1 1 43 43 SER H H 60 7.715 7.715 7.623 0.092 18107
2453 1 6 . 1 1 44 44 GLU N N 61 124.072 124.072 120.670 3.402 18107
2454 1 6 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.764 -0.138 18107
2455 1 6 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.157 1.345 18107
2456 1 6 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.493 0.301 18107
2457 1 6 . 1 1 44 44 GLU H H 61 8.517 8.517 8.219 0.298 18107
2458 1 6 . 1 1 45 45 ALA N N 62 120.467 120.467 122.165 -1.698 18107
2459 1 6 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.052 0.097 18107
2460 1 6 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.965 0.261 18107
2461 1 6 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.384 -0.539 18107
2462 1 6 . 1 1 45 45 ALA H H 62 7.853 7.853 7.573 0.280 18107
2463 1 6 . 1 1 46 46 PHE N N 63 119.936 119.936 116.658 3.278 18107
2464 1 6 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.332 -0.067 18107
2465 1 6 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.538 2.998 18107
2466 1 6 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.763 1.429 18107
2467 1 6 . 1 1 46 46 PHE H H 63 7.946 7.946 7.009 0.937 18107
2468 1 6 . 1 1 47 47 ILE N N 64 122.630 122.630 120.610 2.020 18107
2469 1 6 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.747 -0.127 18107
2470 1 6 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.335 2.023 18107
2471 1 6 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.055 1.326 18107
2472 1 6 . 1 1 47 47 ILE H H 64 8.595 8.595 8.421 0.174 18107
2473 1 6 . 1 1 48 48 GLU N N 65 120.257 120.257 119.209 1.048 18107
2474 1 6 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.080 0.509 18107
2475 1 6 . 1 1 48 48 GLU CA C 65 59.356 59.356 60.001 -0.645 18107
2476 1 6 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.543 0.058 18107
2477 1 6 . 1 1 48 48 GLU H H 65 9.078 9.078 8.014 1.064 18107
2478 1 6 . 1 1 49 49 GLY N N 66 108.368 108.368 107.826 0.542 18107
2479 1 6 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.786 0.367 18107
2480 1 6 . 1 1 49 49 GLY H H 66 8.379 8.379 8.135 0.244 18107
2481 1 6 . 1 1 50 50 SER N N 67 119.358 119.358 118.247 1.111 18107
2482 1 6 . 1 1 50 50 SER HA H 67 3.988 3.988 4.110 -0.122 18107
2483 1 6 . 1 1 50 50 SER CA C 67 62.501 62.501 61.622 0.879 18107
2484 1 6 . 1 1 50 50 SER CB C 67 63.441 63.441 63.196 0.245 18107
2485 1 6 . 1 1 50 50 SER H H 67 7.694 7.694 8.106 -0.412 18107
2486 1 6 . 1 1 51 51 ARG N N 68 121.212 121.212 119.927 1.285 18107
2487 1 6 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.267 -0.359 18107
2488 1 6 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.068 1.973 18107
2489 1 6 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.438 1.319 18107
2490 1 6 . 1 1 51 51 ARG H H 68 8.684 8.684 7.942 0.742 18107
2491 1 6 . 1 1 52 52 GLY N N 69 124.556 124.556 107.181 17.375 18107
2492 1 6 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.690 0.574 18107
2493 1 6 . 1 1 52 52 GLY H H 69 8.068 8.068 8.416 -0.348 18107
2494 1 6 . 1 1 53 53 TYR N N 70 123.123 123.123 123.410 -0.287 18107
2495 1 6 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.151 -0.082 18107
2496 1 6 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.161 -0.341 18107
2497 1 6 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.462 -0.715 18107
2498 1 6 . 1 1 53 53 TYR H H 70 7.337 7.337 7.631 -0.294 18107
2499 1 6 . 1 1 54 54 PHE N N 71 117.809 117.809 118.128 -0.319 18107
2500 1 6 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.001 -0.334 18107
2501 1 6 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.796 -0.307 18107
2502 1 6 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.046 0.703 18107
2503 1 6 . 1 1 54 54 PHE H H 71 7.965 7.965 7.589 0.376 18107
2504 1 6 . 1 1 55 55 GLN N N 72 115.519 115.519 117.885 -2.366 18107
2505 1 6 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.056 -0.198 18107
2506 1 6 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.016 0.592 18107
2507 1 6 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.573 0.423 18107
2508 1 6 . 1 1 55 55 GLN H H 72 8.522 8.522 7.878 0.644 18107
2509 1 6 . 1 1 56 56 ARG N N 73 118.947 118.947 117.351 1.596 18107
2510 1 6 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.097 -0.225 18107
2511 1 6 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.485 1.436 18107
2512 1 6 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.776 0.310 18107
2513 1 6 . 1 1 56 56 ARG H H 73 7.677 7.677 7.677 0.000 18107
2514 1 6 . 1 1 57 57 GLU N N 74 121.204 121.204 121.645 -0.441 18107
2515 1 6 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.950 -0.268 18107
2516 1 6 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.032 -0.098 18107
2517 1 6 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.981 0.712 18107
2518 1 6 . 1 1 57 57 GLU H H 74 7.897 7.897 8.310 -0.413 18107
2519 1 6 . 1 1 58 58 LEU N N 75 115.348 115.348 119.045 -3.697 18107
2520 1 6 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.202 -0.142 18107
2521 1 6 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.818 -0.924 18107
2522 1 6 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.071 0.259 18107
2523 1 6 . 1 1 58 58 LEU H H 75 7.746 7.746 7.796 -0.050 18107
2524 1 6 . 1 1 59 59 LYS N N 76 117.429 117.429 116.958 0.471 18107
2525 1 6 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.367 -0.167 18107
2526 1 6 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.131 0.477 18107
2527 1 6 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.169 0.714 18107
2528 1 6 . 1 1 59 59 LYS H H 76 7.233 7.233 7.943 -0.710 18107
2529 1 6 . 1 1 60 60 ARG N N 77 120.555 120.555 121.094 -0.539 18107
2530 1 6 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.032 0.095 18107
2531 1 6 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.928 -1.229 18107
2532 1 6 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.267 1.531 18107
2533 1 6 . 1 1 60 60 ARG H H 77 7.701 7.701 8.177 -0.476 18107
2534 1 6 . 1 1 61 61 THR N N 78 111.768 111.768 108.142 3.626 18107
2535 1 6 . 1 1 61 61 THR HA H 78 4.414 4.414 4.041 0.373 18107
2536 1 6 . 1 1 61 61 THR CA C 78 62.557 62.557 64.063 -1.506 18107
2537 1 6 . 1 1 61 61 THR CB C 78 69.221 69.221 68.215 1.006 18107
2538 1 6 . 1 1 61 61 THR H H 78 8.638 8.638 8.122 0.516 18107
2539 1 6 . 1 1 62 62 ASP N N 79 120.616 120.616 119.918 0.698 18107
2540 1 6 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.835 -0.203 18107
2541 1 6 . 1 1 62 62 ASP CA C 79 52.962 52.962 53.947 -0.985 18107
2542 1 6 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.531 -1.285 18107
2543 1 6 . 1 1 62 62 ASP H H 79 8.465 8.465 8.392 0.073 18107
2544 1 6 . 1 1 63 63 LEU N N 80 120.063 120.063 116.005 4.058 18107
2545 1 6 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.207 -0.962 18107
2546 1 6 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.993 1.219 18107
2547 1 6 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.535 -1.740 18107
2548 1 6 . 1 1 63 63 LEU H H 80 7.157 7.157 7.446 -0.289 18107
2549 1 6 . 1 1 64 64 ASP N N 81 125.396 125.396 122.027 3.369 18107
2550 1 6 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.982 -0.413 18107
2551 1 6 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.092 0.885 18107
2552 1 6 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.587 -1.786 18107
2553 1 6 . 1 1 64 64 ASP H H 81 8.926 8.926 8.210 0.716 18107
2554 1 6 . 1 1 65 65 LEU N N 82 122.508 122.508 120.275 2.233 18107
2555 1 6 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.358 -0.520 18107
2556 1 6 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.878 0.943 18107
2557 1 6 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.740 0.455 18107
2558 1 6 . 1 1 65 65 LEU H H 82 8.281 8.281 8.252 0.029 18107
2559 1 6 . 1 1 66 66 LEU N N 83 119.413 119.413 120.479 -1.066 18107
2560 1 6 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.041 0.031 18107
2561 1 6 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.225 -0.197 18107
2562 1 6 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.398 0.953 18107
2563 1 6 . 1 1 66 66 LEU H H 83 8.149 8.149 8.053 0.096 18107
2564 1 6 . 1 1 67 67 GLU N N 84 119.941 119.941 117.859 2.082 18107
2565 1 6 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.760 0.086 18107
2566 1 6 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.816 -1.292 18107
2567 1 6 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.220 0.992 18107
2568 1 6 . 1 1 67 67 GLU H H 84 7.725 7.725 8.619 -0.894 18107
2569 1 6 . 1 1 68 68 LYS N N 85 119.400 119.400 119.610 -0.210 18107
2570 1 6 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.828 -0.027 18107
2571 1 6 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.276 1.544 18107
2572 1 6 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.020 0.895 18107
2573 1 6 . 1 1 68 68 LYS H H 85 8.117 8.117 8.167 -0.050 18107
2574 1 6 . 1 1 69 69 PHE N N 86 117.969 117.969 119.943 -1.974 18107
2575 1 6 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.102 0.187 18107
2576 1 6 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.265 -0.396 18107
2577 1 6 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.563 0.192 18107
2578 1 6 . 1 1 69 69 PHE H H 86 7.975 7.975 8.180 -0.205 18107
2579 1 6 . 1 1 70 70 ASN N N 87 118.904 118.904 118.537 0.367 18107
2580 1 6 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.400 -0.039 18107
2581 1 6 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.387 -0.119 18107
2582 1 6 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.495 -0.397 18107
2583 1 6 . 1 1 70 70 ASN H H 87 8.259 8.259 7.294 0.965 18107
2584 1 6 . 1 1 71 71 PHE N N 88 121.068 121.068 118.649 2.419 18107
2585 1 6 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.304 0.962 18107
2586 1 6 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.703 1.084 18107
2587 1 6 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.494 0.536 18107
2588 1 6 . 1 1 71 71 PHE H H 88 8.618 8.618 7.402 1.216 18107
2589 1 6 . 1 1 72 72 GLU N N 89 120.500 120.500 119.026 1.474 18107
2590 1 6 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.851 0.002 18107
2591 1 6 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.354 1.143 18107
2592 1 6 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.156 0.355 18107
2593 1 6 . 1 1 72 72 GLU H H 89 8.709 8.709 8.699 0.010 18107
2594 1 6 . 1 1 73 73 ALA N N 90 123.117 123.117 122.104 1.013 18107
2595 1 6 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.097 -0.059 18107
2596 1 6 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.904 0.097 18107
2597 1 6 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.060 -0.112 18107
2598 1 6 . 1 1 73 73 ALA H H 90 8.158 8.158 7.958 0.200 18107
2599 1 6 . 1 1 74 74 ALA N N 91 122.919 122.919 121.501 1.418 18107
2600 1 6 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.195 -0.244 18107
2601 1 6 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.648 0.631 18107
2602 1 6 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.291 -0.625 18107
2603 1 6 . 1 1 74 74 ALA H H 91 7.841 7.841 8.168 -0.327 18107
2604 1 6 . 1 1 75 75 LEU N N 92 119.956 119.956 119.813 0.143 18107
2605 1 6 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.153 -0.106 18107
2606 1 6 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.195 0.264 18107
2607 1 6 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.844 0.314 18107
2608 1 6 . 1 1 75 75 LEU H H 92 8.091 8.091 8.410 -0.319 18107
2609 1 6 . 1 1 76 76 ALA N N 93 120.763 120.763 120.691 0.072 18107
2610 1 6 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.109 0.021 18107
2611 1 6 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.117 0.287 18107
2612 1 6 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.294 -0.424 18107
2613 1 6 . 1 1 76 76 ALA H H 93 7.774 7.774 7.932 -0.158 18107
2614 1 6 . 1 1 77 77 THR N N 94 117.510 117.510 116.259 1.251 18107
2615 1 6 . 1 1 77 77 THR HA H 94 4.234 4.234 4.086 0.148 18107
2616 1 6 . 1 1 77 77 THR CA C 94 67.364 67.364 66.953 0.411 18107
2617 1 6 . 1 1 77 77 THR CB C 94 68.779 68.779 68.718 0.061 18107
2618 1 6 . 1 1 77 77 THR H H 94 8.188 8.188 7.831 0.357 18107
2619 1 6 . 1 1 78 78 GLY N N 95 110.009 110.009 110.121 -0.112 18107
2620 1 6 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.757 1.393 18107
2621 1 6 . 1 1 78 78 GLY H H 95 8.547 8.547 8.908 -0.361 18107
2622 1 6 . 1 1 79 79 ASP N N 96 121.634 121.634 122.884 -1.250 18107
2623 1 6 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.426 -0.158 18107
2624 1 6 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.455 0.481 18107
2625 1 6 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.670 -0.030 18107
2626 1 6 . 1 1 79 79 ASP H H 96 8.548 8.548 8.134 0.414 18107
2627 1 6 . 1 1 80 80 LEU N N 97 122.599 122.599 119.626 2.973 18107
2628 1 6 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.075 -0.067 18107
2629 1 6 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.698 0.744 18107
2630 1 6 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.226 -0.297 18107
2631 1 6 . 1 1 80 80 LEU H H 97 7.618 7.618 7.656 -0.038 18107
2632 1 6 . 1 1 81 81 LEU N N 98 119.913 119.913 118.251 1.662 18107
2633 1 6 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.087 -0.056 18107
2634 1 6 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.160 -0.353 18107
2635 1 6 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.217 1.144 18107
2636 1 6 . 1 1 81 81 LEU H H 98 8.224 8.224 7.962 0.262 18107
2637 1 6 . 1 1 82 82 LEU N N 99 118.616 118.616 120.586 -1.970 18107
2638 1 6 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.878 0.097 18107
2639 1 6 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.847 0.222 18107
2640 1 6 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.586 0.579 18107
2641 1 6 . 1 1 82 82 LEU H H 99 8.359 8.359 8.571 -0.212 18107
2642 1 6 . 1 1 83 83 LYS N N 100 118.988 118.988 119.019 -0.031 18107
2643 1 6 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.005 -0.121 18107
2644 1 6 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.091 1.176 18107
2645 1 6 . 1 1 83 83 LYS CB C 100 32.171 32.171 31.642 0.529 18107
2646 1 6 . 1 1 83 83 LYS H H 100 7.566 7.566 7.752 -0.186 18107
2647 1 6 . 1 1 84 84 ASP N N 101 121.591 121.591 120.709 0.882 18107
2648 1 6 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.512 -0.115 18107
2649 1 6 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.443 1.253 18107
2650 1 6 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.719 -0.314 18107
2651 1 6 . 1 1 84 84 ASP H H 101 7.743 7.743 7.847 -0.104 18107
2652 1 6 . 1 1 85 85 LEU N N 102 123.215 123.215 120.574 2.641 18107
2653 1 6 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.865 -0.015 18107
2654 1 6 . 1 1 85 85 LEU CA C 102 59.841 59.841 57.933 1.908 18107
2655 1 6 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.722 0.850 18107
2656 1 6 . 1 1 85 85 LEU H H 102 8.760 8.760 8.370 0.390 18107
2657 1 6 . 1 1 86 86 LYS N N 103 119.648 119.648 119.261 0.387 18107
2658 1 6 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.982 0.086 18107
2659 1 6 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.340 -0.548 18107
2660 1 6 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.329 -1.197 18107
2661 1 6 . 1 1 86 86 LYS H H 103 8.883 8.883 7.816 1.067 18107
2662 1 6 . 1 1 87 87 ALA N N 104 122.844 122.844 121.642 1.202 18107
2663 1 6 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.136 0.024 18107
2664 1 6 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.822 0.478 18107
2665 1 6 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.207 -0.187 18107
2666 1 6 . 1 1 87 87 ALA H H 104 7.721 7.721 7.647 0.074 18107
2667 1 6 . 1 1 88 88 LEU N N 105 120.380 120.380 118.789 1.591 18107
2668 1 6 . 1 1 88 88 LEU HA H 105 3.992 3.992 3.994 -0.002 18107
2669 1 6 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.307 -0.121 18107
2670 1 6 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.068 1.736 18107
2671 1 6 . 1 1 88 88 LEU H H 105 7.762 7.762 8.271 -0.509 18107
2672 1 6 . 1 1 89 89 GLN N N 106 118.781 118.781 119.423 -0.642 18107
2673 1 6 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.913 -0.328 18107
2674 1 6 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.487 0.490 18107
2675 1 6 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.495 1.132 18107
2676 1 6 . 1 1 89 89 GLN H H 106 8.658 8.658 8.007 0.651 18107
2677 1 6 . 1 1 90 90 LYS N N 107 118.977 118.977 118.743 0.234 18107
2678 1 6 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.107 -0.159 18107
2679 1 6 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.350 1.145 18107
2680 1 6 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.669 0.754 18107
2681 1 6 . 1 1 90 90 LYS H H 107 7.786 7.786 7.703 0.083 18107
2682 1 6 . 1 1 91 91 ARG N N 108 117.470 117.470 120.336 -2.866 18107
2683 1 6 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.093 -0.090 18107
2684 1 6 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.553 0.029 18107
2685 1 6 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.247 1.381 18107
2686 1 6 . 1 1 91 91 ARG H H 108 7.469 7.469 7.671 -0.202 18107
2687 1 6 . 1 1 92 92 VAL N N 109 117.865 117.865 119.758 -1.893 18107
2688 1 6 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.766 -0.284 18107
2689 1 6 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.995 0.616 18107
2690 1 6 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.378 0.833 18107
2691 1 6 . 1 1 92 92 VAL H H 109 8.084 8.084 8.355 -0.271 18107
2692 1 6 . 1 1 93 93 GLN N N 110 119.617 119.617 117.411 2.206 18107
2693 1 6 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.106 -0.230 18107
2694 1 6 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.505 0.729 18107
2695 1 6 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.804 0.220 18107
2696 1 6 . 1 1 93 93 GLN H H 110 8.512 8.512 8.327 0.185 18107
2697 1 6 . 1 1 94 94 ASP N N 111 117.490 117.490 117.274 0.216 18107
2698 1 6 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.659 -0.168 18107
2699 1 6 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.812 -0.531 18107
2700 1 6 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.294 -1.459 18107
2701 1 6 . 1 1 94 94 ASP H H 111 8.194 8.194 7.879 0.315 18107
2702 1 6 . 1 1 95 95 SER N N 112 116.625 116.625 111.560 5.065 18107
2703 1 6 . 1 1 95 95 SER HA H 112 4.288 4.288 4.019 0.269 18107
2704 1 6 . 1 1 95 95 SER CA C 112 59.770 59.770 60.890 -1.120 18107
2705 1 6 . 1 1 95 95 SER CB C 112 63.990 63.990 61.405 2.585 18107
2706 1 6 . 1 1 95 95 SER H H 112 7.479 7.479 8.582 -1.103 18107
2707 1 7 . 1 1 2 2 THR HA H 19 4.222 4.222 4.084 0.138 18107
2708 1 7 . 1 1 2 2 THR CA C 19 63.013 63.013 65.406 -2.393 18107
2709 1 7 . 1 1 2 2 THR CB C 19 69.504 69.504 68.784 0.720 18107
2710 1 7 . 1 1 3 3 ALA N N 20 125.065 125.065 124.422 0.643 18107
2711 1 7 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.934 0.216 18107
2712 1 7 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.777 0.179 18107
2713 1 7 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.089 0.908 18107
2714 1 7 . 1 1 3 3 ALA H H 20 8.404 8.404 8.377 0.027 18107
2715 1 7 . 1 1 4 4 THR N N 21 109.840 109.840 111.610 -1.770 18107
2716 1 7 . 1 1 4 4 THR HA H 21 4.235 4.235 3.801 0.434 18107
2717 1 7 . 1 1 4 4 THR CA C 21 64.668 64.668 64.747 -0.079 18107
2718 1 7 . 1 1 4 4 THR CB C 21 68.923 68.923 67.655 1.268 18107
2719 1 7 . 1 1 4 4 THR H H 21 7.910 7.910 8.086 -0.176 18107
2720 1 7 . 1 1 5 5 GLN N N 22 122.037 122.037 118.954 3.083 18107
2721 1 7 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.137 -0.086 18107
2722 1 7 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.553 -0.389 18107
2723 1 7 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.941 -0.384 18107
2724 1 7 . 1 1 5 5 GLN H H 22 7.953 7.953 7.615 0.338 18107
2725 1 7 . 1 1 6 6 ARG N N 23 118.944 118.944 119.489 -0.545 18107
2726 1 7 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.065 0.041 18107
2727 1 7 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.361 -0.269 18107
2728 1 7 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.363 -0.216 18107
2729 1 7 . 1 1 6 6 ARG H H 23 7.922 7.922 7.415 0.507 18107
2730 1 7 . 1 1 7 7 PHE N N 24 116.543 116.543 115.019 1.524 18107
2731 1 7 . 1 1 7 7 PHE H H 24 8.276 8.276 7.586 0.690 18107
2732 1 7 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.600 -0.105 18107
2733 1 7 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.743 2.277 18107
2734 1 7 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.387 -1.335 18107
2735 1 7 . 1 1 9 9 GLU N N 26 118.298 118.298 120.315 -2.017 18107
2736 1 7 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.086 -0.096 18107
2737 1 7 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.534 -0.156 18107
2738 1 7 . 1 1 9 9 GLU CB C 26 29.312 29.312 28.969 0.343 18107
2739 1 7 . 1 1 9 9 GLU H H 26 8.148 8.148 8.634 -0.486 18107
2740 1 7 . 1 1 10 10 ILE N N 27 121.761 121.761 117.634 4.127 18107
2741 1 7 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.809 0.155 18107
2742 1 7 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.279 -1.816 18107
2743 1 7 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.727 -0.477 18107
2744 1 7 . 1 1 10 10 ILE H H 27 8.165 8.165 8.214 -0.049 18107
2745 1 7 . 1 1 11 11 GLU N N 28 122.042 122.042 120.506 1.536 18107
2746 1 7 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.020 -0.183 18107
2747 1 7 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.135 0.493 18107
2748 1 7 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.344 0.662 18107
2749 1 7 . 1 1 11 11 GLU H H 28 8.541 8.541 8.230 0.311 18107
2750 1 7 . 1 1 12 12 LYS N N 29 117.967 117.967 119.185 -1.218 18107
2751 1 7 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.087 -0.145 18107
2752 1 7 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.376 0.365 18107
2753 1 7 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.329 0.123 18107
2754 1 7 . 1 1 12 12 LYS H H 29 7.517 7.517 7.797 -0.280 18107
2755 1 7 . 1 1 13 13 PHE N N 30 122.144 122.144 120.630 1.514 18107
2756 1 7 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.382 0.047 18107
2757 1 7 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.008 -0.221 18107
2758 1 7 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.756 0.455 18107
2759 1 7 . 1 1 13 13 PHE H H 30 8.066 8.066 8.035 0.031 18107
2760 1 7 . 1 1 14 14 LEU N N 31 119.404 119.404 119.950 -0.546 18107
2761 1 7 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.961 -0.227 18107
2762 1 7 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.831 -1.067 18107
2763 1 7 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.540 -0.104 18107
2764 1 7 . 1 1 14 14 LEU H H 31 8.739 8.739 8.605 0.134 18107
2765 1 7 . 1 1 15 15 LEU N N 32 121.073 121.073 117.323 3.750 18107
2766 1 7 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.168 -0.208 18107
2767 1 7 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.134 0.198 18107
2768 1 7 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.145 0.817 18107
2769 1 7 . 1 1 15 15 LEU H H 32 7.736 7.736 7.687 0.049 18107
2770 1 7 . 1 1 16 16 HIS N N 33 118.629 118.629 119.332 -0.703 18107
2771 1 7 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.329 0.017 18107
2772 1 7 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.159 1.486 18107
2773 1 7 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.684 0.617 18107
2774 1 7 . 1 1 16 16 HIS H H 33 7.681 7.681 8.232 -0.551 18107
2775 1 7 . 1 1 17 17 ILE N N 34 118.602 118.602 120.430 -1.828 18107
2776 1 7 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.897 -0.092 18107
2777 1 7 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.459 -0.952 18107
2778 1 7 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.048 -0.603 18107
2779 1 7 . 1 1 17 17 ILE H H 34 8.502 8.502 8.516 -0.014 18107
2780 1 7 . 1 1 18 18 THR N N 35 117.776 117.776 115.941 1.835 18107
2781 1 7 . 1 1 18 18 THR HA H 35 4.116 4.116 3.962 0.154 18107
2782 1 7 . 1 1 18 18 THR CA C 35 68.694 68.694 66.769 1.925 18107
2783 1 7 . 1 1 18 18 THR CB C 35 68.694 68.694 68.114 0.580 18107
2784 1 7 . 1 1 18 18 THR H H 35 7.726 7.726 7.793 -0.067 18107
2785 1 7 . 1 1 19 19 HIS N N 36 118.130 118.130 120.538 -2.408 18107
2786 1 7 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.219 0.182 18107
2787 1 7 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.840 -0.054 18107
2788 1 7 . 1 1 19 19 HIS CB C 36 29.070 29.070 30.036 -0.966 18107
2789 1 7 . 1 1 19 19 HIS H H 36 7.177 7.177 7.948 -0.771 18107
2790 1 7 . 1 1 20 20 GLU N N 37 119.301 119.301 118.761 0.540 18107
2791 1 7 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.080 -0.030 18107
2792 1 7 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.261 0.296 18107
2793 1 7 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.575 0.481 18107
2794 1 7 . 1 1 20 20 GLU H H 37 7.335 7.335 7.997 -0.662 18107
2795 1 7 . 1 1 21 21 VAL N N 38 122.744 122.744 119.256 3.488 18107
2796 1 7 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.593 -0.171 18107
2797 1 7 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.546 0.503 18107
2798 1 7 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.467 -0.094 18107
2799 1 7 . 1 1 21 21 VAL H H 38 8.385 8.385 7.790 0.595 18107
2800 1 7 . 1 1 22 22 ASP N N 39 120.471 120.471 119.211 1.260 18107
2801 1 7 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.379 -0.232 18107
2802 1 7 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.020 0.707 18107
2803 1 7 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.519 -0.132 18107
2804 1 7 . 1 1 22 22 ASP H H 39 8.054 8.054 7.756 0.298 18107
2805 1 7 . 1 1 23 23 ASP N N 40 118.541 118.541 119.865 -1.324 18107
2806 1 7 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.437 -0.017 18107
2807 1 7 . 1 1 23 23 ASP CA C 40 57.487 57.487 56.907 0.580 18107
2808 1 7 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.150 0.024 18107
2809 1 7 . 1 1 23 23 ASP H H 40 7.587 7.587 7.787 -0.200 18107
2810 1 7 . 1 1 24 24 LEU N N 41 123.241 123.241 117.674 5.567 18107
2811 1 7 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.380 -0.212 18107
2812 1 7 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.827 -0.120 18107
2813 1 7 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.216 0.693 18107
2814 1 7 . 1 1 24 24 LEU H H 41 8.032 8.032 8.245 -0.213 18107
2815 1 7 . 1 1 25 25 GLU N N 42 117.508 117.508 118.322 -0.814 18107
2816 1 7 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.048 -0.128 18107
2817 1 7 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.069 0.013 18107
2818 1 7 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.537 0.327 18107
2819 1 7 . 1 1 25 25 GLU H H 42 8.010 8.010 8.268 -0.258 18107
2820 1 7 . 1 1 26 26 LYS N N 43 117.032 117.032 116.968 0.064 18107
2821 1 7 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.182 0.061 18107
2822 1 7 . 1 1 26 26 LYS CA C 43 58.251 58.251 58.476 -0.225 18107
2823 1 7 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.194 1.313 18107
2824 1 7 . 1 1 26 26 LYS H H 43 7.596 7.596 7.709 -0.113 18107
2825 1 7 . 1 1 27 27 THR N N 44 110.288 110.288 111.702 -1.414 18107
2826 1 7 . 1 1 27 27 THR HA H 44 4.271 4.271 4.395 -0.124 18107
2827 1 7 . 1 1 27 27 THR CA C 44 62.820 62.820 63.303 -0.483 18107
2828 1 7 . 1 1 27 27 THR CB C 44 70.733 70.733 71.025 -0.292 18107
2829 1 7 . 1 1 27 27 THR H H 44 8.227 8.227 7.432 0.795 18107
2830 1 7 . 1 1 28 28 GLY N N 45 112.257 112.257 107.516 4.741 18107
2831 1 7 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.804 0.857 18107
2832 1 7 . 1 1 28 28 GLY H H 45 8.727 8.727 8.306 0.421 18107
2833 1 7 . 1 1 29 29 ASN N N 46 118.416 118.416 118.553 -0.137 18107
2834 1 7 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.392 0.077 18107
2835 1 7 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.285 1.012 18107
2836 1 7 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.168 1.942 18107
2837 1 7 . 1 1 29 29 ASN H H 46 7.716 7.716 8.376 -0.660 18107
2838 1 7 . 1 1 30 30 LYS N N 47 126.481 126.481 119.077 7.404 18107
2839 1 7 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.165 -0.177 18107
2840 1 7 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.170 1.021 18107
2841 1 7 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.644 -0.131 18107
2842 1 7 . 1 1 30 30 LYS H H 47 8.770 8.770 8.515 0.255 18107
2843 1 7 . 1 1 31 31 ASP N N 48 121.710 121.710 114.697 7.013 18107
2844 1 7 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.729 -0.262 18107
2845 1 7 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.547 3.088 18107
2846 1 7 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.343 -0.899 18107
2847 1 7 . 1 1 31 31 ASP H H 48 8.229 8.229 8.187 0.042 18107
2848 1 7 . 1 1 32 32 GLU N N 49 121.695 121.695 122.537 -0.842 18107
2849 1 7 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.047 0.310 18107
2850 1 7 . 1 1 32 32 GLU H H 49 8.048 8.048 8.585 -0.537 18107
2851 1 7 . 1 1 33 33 LYS N N 50 120.099 120.099 120.083 0.016 18107
2852 1 7 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.979 -0.328 18107
2853 1 7 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.381 1.456 18107
2854 1 7 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.968 0.999 18107
2855 1 7 . 1 1 33 33 LYS H H 50 7.975 7.975 7.759 0.216 18107
2856 1 7 . 1 1 34 34 ALA N N 51 118.238 118.238 120.608 -2.370 18107
2857 1 7 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.092 -0.103 18107
2858 1 7 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.072 0.321 18107
2859 1 7 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.208 0.004 18107
2860 1 7 . 1 1 34 34 ALA H H 51 7.614 7.614 8.339 -0.725 18107
2861 1 7 . 1 1 35 35 ARG N N 52 120.311 120.311 119.636 0.675 18107
2862 1 7 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.068 1.823 18107
2863 1 7 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.294 0.756 18107
2864 1 7 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.416 -0.005 18107
2865 1 7 . 1 1 35 35 ARG H H 52 7.883 7.883 7.885 -0.002 18107
2866 1 7 . 1 1 36 36 LEU N N 53 119.541 119.541 119.769 -0.228 18107
2867 1 7 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.067 -0.121 18107
2868 1 7 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.352 0.137 18107
2869 1 7 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.321 1.121 18107
2870 1 7 . 1 1 36 36 LEU H H 53 8.553 8.553 8.487 0.066 18107
2871 1 7 . 1 1 37 37 LEU N N 54 117.789 117.789 120.097 -2.308 18107
2872 1 7 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.834 0.231 18107
2873 1 7 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.047 0.595 18107
2874 1 7 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.396 -0.077 18107
2875 1 7 . 1 1 37 37 LEU H H 54 8.341 8.341 8.155 0.185 18107
2876 1 7 . 1 1 38 38 ARG N N 55 121.176 121.176 118.069 3.107 18107
2877 1 7 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.059 0.009 18107
2878 1 7 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.135 1.190 18107
2879 1 7 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.782 0.288 18107
2880 1 7 . 1 1 38 38 ARG H H 55 7.864 7.864 7.783 0.081 18107
2881 1 7 . 1 1 39 39 GLU N N 56 119.256 119.256 120.953 -1.697 18107
2882 1 7 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.145 -0.085 18107
2883 1 7 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.446 0.448 18107
2884 1 7 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.331 0.570 18107
2885 1 7 . 1 1 39 39 GLU H H 56 8.390 8.390 7.709 0.681 18107
2886 1 7 . 1 1 40 40 LEU N N 57 120.312 120.312 115.824 4.488 18107
2887 1 7 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.389 -0.261 18107
2888 1 7 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.592 1.029 18107
2889 1 7 . 1 1 40 40 LEU CB C 57 42.229 42.229 40.934 1.295 18107
2890 1 7 . 1 1 40 40 LEU H H 57 8.802 8.802 8.006 0.796 18107
2891 1 7 . 1 1 41 41 THR N N 58 117.791 117.791 117.265 0.526 18107
2892 1 7 . 1 1 41 41 THR HA H 58 4.341 4.341 3.829 0.512 18107
2893 1 7 . 1 1 41 41 THR CA C 58 67.542 67.542 67.266 0.276 18107
2894 1 7 . 1 1 41 41 THR CB C 58 69.157 69.157 68.575 0.582 18107
2895 1 7 . 1 1 41 41 THR H H 58 8.182 8.182 7.856 0.326 18107
2896 1 7 . 1 1 42 42 VAL N N 59 123.554 123.554 121.300 2.254 18107
2897 1 7 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.449 0.274 18107
2898 1 7 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.851 0.004 18107
2899 1 7 . 1 1 42 42 VAL H H 59 7.978 7.978 8.444 -0.466 18107
2900 1 7 . 1 1 43 43 SER N N 60 116.859 116.859 114.052 2.807 18107
2901 1 7 . 1 1 43 43 SER HA H 60 4.155 4.155 1.138 3.017 18107
2902 1 7 . 1 1 43 43 SER CA C 60 63.412 63.412 60.817 2.595 18107
2903 1 7 . 1 1 43 43 SER H H 60 7.715 7.715 7.529 0.186 18107
2904 1 7 . 1 1 44 44 GLU N N 61 124.072 124.072 121.146 2.926 18107
2905 1 7 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.766 -0.140 18107
2906 1 7 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.235 1.267 18107
2907 1 7 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.427 0.367 18107
2908 1 7 . 1 1 44 44 GLU H H 61 8.517 8.517 8.168 0.349 18107
2909 1 7 . 1 1 45 45 ALA N N 62 120.467 120.467 121.431 -0.964 18107
2910 1 7 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.318 -0.169 18107
2911 1 7 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.733 0.493 18107
2912 1 7 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.409 -0.564 18107
2913 1 7 . 1 1 45 45 ALA H H 62 7.853 7.853 7.669 0.184 18107
2914 1 7 . 1 1 46 46 PHE N N 63 119.936 119.936 117.340 2.596 18107
2915 1 7 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.235 0.030 18107
2916 1 7 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.739 2.797 18107
2917 1 7 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.467 1.725 18107
2918 1 7 . 1 1 46 46 PHE H H 63 7.946 7.946 7.204 0.742 18107
2919 1 7 . 1 1 47 47 ILE N N 64 122.630 122.630 120.442 2.188 18107
2920 1 7 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.356 0.264 18107
2921 1 7 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.960 2.398 18107
2922 1 7 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.769 1.612 18107
2923 1 7 . 1 1 47 47 ILE H H 64 8.595 8.595 7.844 0.751 18107
2924 1 7 . 1 1 48 48 GLU N N 65 120.257 120.257 119.705 0.552 18107
2925 1 7 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.067 0.522 18107
2926 1 7 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.279 0.077 18107
2927 1 7 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.902 0.699 18107
2928 1 7 . 1 1 48 48 GLU H H 65 9.078 9.078 8.030 1.048 18107
2929 1 7 . 1 1 49 49 GLY N N 66 108.368 108.368 108.400 -0.032 18107
2930 1 7 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.571 0.582 18107
2931 1 7 . 1 1 49 49 GLY H H 66 8.379 8.379 8.627 -0.248 18107
2932 1 7 . 1 1 50 50 SER N N 67 119.358 119.358 117.185 2.173 18107
2933 1 7 . 1 1 50 50 SER HA H 67 3.988 3.988 4.015 -0.027 18107
2934 1 7 . 1 1 50 50 SER CA C 67 62.501 62.501 60.921 1.580 18107
2935 1 7 . 1 1 50 50 SER CB C 67 63.441 63.441 63.109 0.332 18107
2936 1 7 . 1 1 50 50 SER H H 67 7.694 7.694 8.353 -0.659 18107
2937 1 7 . 1 1 51 51 ARG N N 68 121.212 121.212 120.870 0.342 18107
2938 1 7 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.126 -0.218 18107
2939 1 7 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.533 1.508 18107
2940 1 7 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.187 0.570 18107
2941 1 7 . 1 1 51 51 ARG H H 68 8.684 8.684 7.902 0.782 18107
2942 1 7 . 1 1 52 52 GLY N N 69 124.556 124.556 106.548 18.008 18107
2943 1 7 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.777 0.486 18107
2944 1 7 . 1 1 52 52 GLY H H 69 8.068 8.068 8.015 0.053 18107
2945 1 7 . 1 1 53 53 TYR N N 70 123.123 123.123 122.692 0.431 18107
2946 1 7 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.143 -0.074 18107
2947 1 7 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.542 -0.722 18107
2948 1 7 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.541 -0.794 18107
2949 1 7 . 1 1 53 53 TYR H H 70 7.337 7.337 7.699 -0.362 18107
2950 1 7 . 1 1 54 54 PHE N N 71 117.809 117.809 118.082 -0.273 18107
2951 1 7 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.894 -0.227 18107
2952 1 7 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.152 0.337 18107
2953 1 7 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.769 0.980 18107
2954 1 7 . 1 1 54 54 PHE H H 71 7.965 7.965 7.354 0.611 18107
2955 1 7 . 1 1 55 55 GLN N N 72 115.519 115.519 118.589 -3.070 18107
2956 1 7 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.036 -0.178 18107
2957 1 7 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.097 0.511 18107
2958 1 7 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.566 0.430 18107
2959 1 7 . 1 1 55 55 GLN H H 72 8.522 8.522 7.901 0.621 18107
2960 1 7 . 1 1 56 56 ARG N N 73 118.947 118.947 119.051 -0.104 18107
2961 1 7 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.028 -0.156 18107
2962 1 7 . 1 1 56 56 ARG CA C 73 59.921 59.921 59.038 0.883 18107
2963 1 7 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.852 0.234 18107
2964 1 7 . 1 1 56 56 ARG H H 73 7.677 7.677 7.704 -0.027 18107
2965 1 7 . 1 1 57 57 GLU N N 74 121.204 121.204 120.362 0.842 18107
2966 1 7 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.942 -0.260 18107
2967 1 7 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.084 -0.150 18107
2968 1 7 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.913 0.780 18107
2969 1 7 . 1 1 57 57 GLU H H 74 7.897 7.897 8.034 -0.137 18107
2970 1 7 . 1 1 58 58 LEU N N 75 115.348 115.348 119.351 -4.003 18107
2971 1 7 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.150 -0.090 18107
2972 1 7 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.421 -0.527 18107
2973 1 7 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.095 0.235 18107
2974 1 7 . 1 1 58 58 LEU H H 75 7.746 7.746 7.702 0.044 18107
2975 1 7 . 1 1 59 59 LYS N N 76 117.429 117.429 116.378 1.051 18107
2976 1 7 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.281 -0.081 18107
2977 1 7 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.697 -0.089 18107
2978 1 7 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.557 0.326 18107
2979 1 7 . 1 1 59 59 LYS H H 76 7.233 7.233 7.788 -0.555 18107
2980 1 7 . 1 1 60 60 ARG N N 77 120.555 120.555 120.413 0.142 18107
2981 1 7 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.102 0.024 18107
2982 1 7 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.703 -1.004 18107
2983 1 7 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.390 1.408 18107
2984 1 7 . 1 1 60 60 ARG H H 77 7.701 7.701 7.871 -0.170 18107
2985 1 7 . 1 1 61 61 THR N N 78 111.768 111.768 107.595 4.173 18107
2986 1 7 . 1 1 61 61 THR HA H 78 4.414 4.414 4.105 0.309 18107
2987 1 7 . 1 1 61 61 THR CA C 78 62.557 62.557 64.266 -1.708 18107
2988 1 7 . 1 1 61 61 THR CB C 78 69.221 69.221 67.661 1.560 18107
2989 1 7 . 1 1 61 61 THR H H 78 8.638 8.638 8.067 0.571 18107
2990 1 7 . 1 1 62 62 ASP N N 79 120.616 120.616 119.837 0.779 18107
2991 1 7 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.846 -0.214 18107
2992 1 7 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.393 -1.431 18107
2993 1 7 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.502 -1.256 18107
2994 1 7 . 1 1 62 62 ASP H H 79 8.465 8.465 8.448 0.017 18107
2995 1 7 . 1 1 63 63 LEU N N 80 120.063 120.063 116.244 3.819 18107
2996 1 7 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.888 -0.643 18107
2997 1 7 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.555 1.657 18107
2998 1 7 . 1 1 63 63 LEU CB C 80 43.795 43.795 46.109 -2.314 18107
2999 1 7 . 1 1 63 63 LEU H H 80 7.157 7.157 7.374 -0.217 18107
3000 1 7 . 1 1 64 64 ASP N N 81 125.396 125.396 122.652 2.744 18107
3001 1 7 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.984 -0.415 18107
3002 1 7 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.578 0.400 18107
3003 1 7 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.641 0.159 18107
3004 1 7 . 1 1 64 64 ASP H H 81 8.926 8.926 8.222 0.704 18107
3005 1 7 . 1 1 65 65 LEU N N 82 122.508 122.508 118.832 3.676 18107
3006 1 7 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.214 -0.376 18107
3007 1 7 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.922 0.899 18107
3008 1 7 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.643 0.552 18107
3009 1 7 . 1 1 65 65 LEU H H 82 8.281 8.281 8.213 0.068 18107
3010 1 7 . 1 1 66 66 LEU N N 83 119.413 119.413 120.123 -0.710 18107
3011 1 7 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.116 -0.044 18107
3012 1 7 . 1 1 66 66 LEU CA C 83 58.028 58.028 57.833 0.195 18107
3013 1 7 . 1 1 66 66 LEU CB C 83 41.351 41.351 39.836 1.515 18107
3014 1 7 . 1 1 66 66 LEU H H 83 8.149 8.149 8.031 0.118 18107
3015 1 7 . 1 1 67 67 GLU N N 84 119.941 119.941 118.531 1.410 18107
3016 1 7 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.764 0.082 18107
3017 1 7 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.039 -0.516 18107
3018 1 7 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.977 1.235 18107
3019 1 7 . 1 1 67 67 GLU H H 84 7.725 7.725 8.517 -0.792 18107
3020 1 7 . 1 1 68 68 LYS N N 85 119.400 119.400 119.852 -0.452 18107
3021 1 7 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.855 -0.054 18107
3022 1 7 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.418 1.402 18107
3023 1 7 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.272 0.643 18107
3024 1 7 . 1 1 68 68 LYS H H 85 8.117 8.117 8.060 0.057 18107
3025 1 7 . 1 1 69 69 PHE N N 86 117.969 117.969 119.441 -1.472 18107
3026 1 7 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.057 0.232 18107
3027 1 7 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.296 -0.427 18107
3028 1 7 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.781 -0.026 18107
3029 1 7 . 1 1 69 69 PHE H H 86 7.975 7.975 8.043 -0.068 18107
3030 1 7 . 1 1 70 70 ASN N N 87 118.904 118.904 117.293 1.611 18107
3031 1 7 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.287 0.074 18107
3032 1 7 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.660 -0.392 18107
3033 1 7 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.446 -0.348 18107
3034 1 7 . 1 1 70 70 ASN H H 87 8.259 8.259 7.752 0.507 18107
3035 1 7 . 1 1 71 71 PHE N N 88 121.068 121.068 118.853 2.215 18107
3036 1 7 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.199 1.067 18107
3037 1 7 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.604 1.183 18107
3038 1 7 . 1 1 71 71 PHE CB C 88 38.030 38.030 36.914 1.116 18107
3039 1 7 . 1 1 71 71 PHE H H 88 8.618 8.618 7.326 1.292 18107
3040 1 7 . 1 1 72 72 GLU N N 89 120.500 120.500 119.436 1.064 18107
3041 1 7 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.925 -0.072 18107
3042 1 7 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.244 1.253 18107
3043 1 7 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.157 0.354 18107
3044 1 7 . 1 1 72 72 GLU H H 89 8.709 8.709 8.670 0.039 18107
3045 1 7 . 1 1 73 73 ALA N N 90 123.117 123.117 122.012 1.105 18107
3046 1 7 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.934 0.104 18107
3047 1 7 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.705 0.296 18107
3048 1 7 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.913 0.035 18107
3049 1 7 . 1 1 73 73 ALA H H 90 8.158 8.158 7.825 0.333 18107
3050 1 7 . 1 1 74 74 ALA N N 91 122.919 122.919 121.255 1.664 18107
3051 1 7 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.124 -0.173 18107
3052 1 7 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.520 0.759 18107
3053 1 7 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.426 -0.760 18107
3054 1 7 . 1 1 74 74 ALA H H 91 7.841 7.841 8.065 -0.224 18107
3055 1 7 . 1 1 75 75 LEU N N 92 119.956 119.956 119.681 0.275 18107
3056 1 7 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.143 -0.096 18107
3057 1 7 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.377 0.083 18107
3058 1 7 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.867 0.292 18107
3059 1 7 . 1 1 75 75 LEU H H 92 8.091 8.091 8.377 -0.286 18107
3060 1 7 . 1 1 76 76 ALA N N 93 120.763 120.763 120.932 -0.169 18107
3061 1 7 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.104 0.026 18107
3062 1 7 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.304 0.100 18107
3063 1 7 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.058 -0.188 18107
3064 1 7 . 1 1 76 76 ALA H H 93 7.774 7.774 7.819 -0.045 18107
3065 1 7 . 1 1 77 77 THR N N 94 117.510 117.510 116.063 1.447 18107
3066 1 7 . 1 1 77 77 THR HA H 94 4.234 4.234 3.992 0.242 18107
3067 1 7 . 1 1 77 77 THR CA C 94 67.364 67.364 68.056 -0.692 18107
3068 1 7 . 1 1 77 77 THR CB C 94 68.779 68.779 68.775 0.004 18107
3069 1 7 . 1 1 77 77 THR H H 94 8.188 8.188 7.777 0.411 18107
3070 1 7 . 1 1 78 78 GLY N N 95 110.009 110.009 109.191 0.818 18107
3071 1 7 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.661 1.489 18107
3072 1 7 . 1 1 78 78 GLY H H 95 8.547 8.547 8.683 -0.136 18107
3073 1 7 . 1 1 79 79 ASP N N 96 121.634 121.634 122.526 -0.892 18107
3074 1 7 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.428 -0.160 18107
3075 1 7 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.059 0.877 18107
3076 1 7 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.867 -0.227 18107
3077 1 7 . 1 1 79 79 ASP H H 96 8.548 8.548 8.111 0.437 18107
3078 1 7 . 1 1 80 80 LEU N N 97 122.599 122.599 119.525 3.074 18107
3079 1 7 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.229 -0.221 18107
3080 1 7 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.337 0.105 18107
3081 1 7 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.831 0.098 18107
3082 1 7 . 1 1 80 80 LEU H H 97 7.618 7.618 7.645 -0.027 18107
3083 1 7 . 1 1 81 81 LEU N N 98 119.913 119.913 117.653 2.260 18107
3084 1 7 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.629 -0.598 18107
3085 1 7 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.562 0.245 18107
3086 1 7 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.353 1.008 18107
3087 1 7 . 1 1 81 81 LEU H H 98 8.224 8.224 7.714 0.510 18107
3088 1 7 . 1 1 82 82 LEU N N 99 118.616 118.616 121.081 -2.465 18107
3089 1 7 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.845 0.130 18107
3090 1 7 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.043 0.026 18107
3091 1 7 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.625 0.540 18107
3092 1 7 . 1 1 82 82 LEU H H 99 8.359 8.359 8.583 -0.224 18107
3093 1 7 . 1 1 83 83 LYS N N 100 118.988 118.988 119.194 -0.206 18107
3094 1 7 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.957 -0.073 18107
3095 1 7 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.997 0.270 18107
3096 1 7 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.088 0.083 18107
3097 1 7 . 1 1 83 83 LYS H H 100 7.566 7.566 7.731 -0.165 18107
3098 1 7 . 1 1 84 84 ASP N N 101 121.591 121.591 120.884 0.707 18107
3099 1 7 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.433 -0.036 18107
3100 1 7 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.247 0.449 18107
3101 1 7 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.762 -0.357 18107
3102 1 7 . 1 1 84 84 ASP H H 101 7.743 7.743 7.810 -0.067 18107
3103 1 7 . 1 1 85 85 LEU N N 102 123.215 123.215 121.848 1.367 18107
3104 1 7 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.928 -0.078 18107
3105 1 7 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.865 0.976 18107
3106 1 7 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.979 0.593 18107
3107 1 7 . 1 1 85 85 LEU H H 102 8.760 8.760 8.381 0.379 18107
3108 1 7 . 1 1 86 86 LYS N N 103 119.648 119.648 118.458 1.190 18107
3109 1 7 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.943 0.125 18107
3110 1 7 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.719 -0.927 18107
3111 1 7 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.922 -0.791 18107
3112 1 7 . 1 1 86 86 LYS H H 103 8.883 8.883 7.749 1.134 18107
3113 1 7 . 1 1 87 87 ALA N N 104 122.844 122.844 121.698 1.146 18107
3114 1 7 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.234 -0.074 18107
3115 1 7 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.813 0.487 18107
3116 1 7 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.418 -0.398 18107
3117 1 7 . 1 1 87 87 ALA H H 104 7.721 7.721 7.615 0.106 18107
3118 1 7 . 1 1 88 88 LEU N N 105 120.380 120.380 118.790 1.590 18107
3119 1 7 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.062 -0.070 18107
3120 1 7 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.017 0.169 18107
3121 1 7 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.264 1.540 18107
3122 1 7 . 1 1 88 88 LEU H H 105 7.762 7.762 8.353 -0.591 18107
3123 1 7 . 1 1 89 89 GLN N N 106 118.781 118.781 119.504 -0.723 18107
3124 1 7 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.868 -0.283 18107
3125 1 7 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.565 0.412 18107
3126 1 7 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.556 1.071 18107
3127 1 7 . 1 1 89 89 GLN H H 106 8.658 8.658 8.498 0.160 18107
3128 1 7 . 1 1 90 90 LYS N N 107 118.977 118.977 119.760 -0.783 18107
3129 1 7 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.068 -0.120 18107
3130 1 7 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.409 0.086 18107
3131 1 7 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.047 0.376 18107
3132 1 7 . 1 1 90 90 LYS H H 107 7.786 7.786 7.713 0.073 18107
3133 1 7 . 1 1 91 91 ARG N N 108 117.470 117.470 120.412 -2.942 18107
3134 1 7 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.078 -0.075 18107
3135 1 7 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.548 0.034 18107
3136 1 7 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.261 1.367 18107
3137 1 7 . 1 1 91 91 ARG H H 108 7.469 7.469 7.641 -0.172 18107
3138 1 7 . 1 1 92 92 VAL N N 109 117.865 117.865 119.980 -2.115 18107
3139 1 7 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.730 -0.248 18107
3140 1 7 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.471 0.140 18107
3141 1 7 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.848 0.363 18107
3142 1 7 . 1 1 92 92 VAL H H 109 8.084 8.084 8.354 -0.270 18107
3143 1 7 . 1 1 93 93 GLN N N 110 119.617 119.617 118.018 1.599 18107
3144 1 7 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.101 -0.225 18107
3145 1 7 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.709 0.525 18107
3146 1 7 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.743 0.281 18107
3147 1 7 . 1 1 93 93 GLN H H 110 8.512 8.512 8.380 0.132 18107
3148 1 7 . 1 1 94 94 ASP N N 111 117.490 117.490 120.041 -2.551 18107
3149 1 7 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.581 -0.090 18107
3150 1 7 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.214 -0.933 18107
3151 1 7 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.616 0.219 18107
3152 1 7 . 1 1 94 94 ASP H H 111 8.194 8.194 8.456 -0.262 18107
3153 1 7 . 1 1 95 95 SER N N 112 116.625 116.625 113.640 2.985 18107
3154 1 7 . 1 1 95 95 SER HA H 112 4.288 4.288 4.173 0.115 18107
3155 1 7 . 1 1 95 95 SER CA C 112 59.770 59.770 60.374 -0.604 18107
3156 1 7 . 1 1 95 95 SER CB C 112 63.990 63.990 63.445 0.545 18107
3157 1 7 . 1 1 95 95 SER H H 112 7.479 7.479 7.828 -0.349 18107
3158 1 8 . 1 1 2 2 THR HA H 19 4.222 4.222 4.212 0.010 18107
3159 1 8 . 1 1 2 2 THR CA C 19 63.013 63.013 64.604 -1.591 18107
3160 1 8 . 1 1 2 2 THR CB C 19 69.504 69.504 69.077 0.427 18107
3161 1 8 . 1 1 3 3 ALA N N 20 125.065 125.065 123.819 1.246 18107
3162 1 8 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.080 0.070 18107
3163 1 8 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.026 -0.070 18107
3164 1 8 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.016 0.981 18107
3165 1 8 . 1 1 3 3 ALA H H 20 8.404 8.404 8.533 -0.129 18107
3166 1 8 . 1 1 4 4 THR N N 21 109.840 109.840 111.578 -1.738 18107
3167 1 8 . 1 1 4 4 THR HA H 21 4.235 4.235 4.033 0.202 18107
3168 1 8 . 1 1 4 4 THR CA C 21 64.668 64.668 65.066 -0.398 18107
3169 1 8 . 1 1 4 4 THR CB C 21 68.923 68.923 67.362 1.560 18107
3170 1 8 . 1 1 4 4 THR H H 21 7.910 7.910 8.341 -0.431 18107
3171 1 8 . 1 1 5 5 GLN N N 22 122.037 122.037 118.843 3.194 18107
3172 1 8 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.195 -0.144 18107
3173 1 8 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.414 -0.250 18107
3174 1 8 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.553 0.004 18107
3175 1 8 . 1 1 5 5 GLN H H 22 7.953 7.953 7.834 0.119 18107
3176 1 8 . 1 1 6 6 ARG N N 23 118.944 118.944 120.437 -1.493 18107
3177 1 8 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.118 -0.012 18107
3178 1 8 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.038 0.054 18107
3179 1 8 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.251 -0.104 18107
3180 1 8 . 1 1 6 6 ARG H H 23 7.922 7.922 7.501 0.421 18107
3181 1 8 . 1 1 7 7 PHE N N 24 116.543 116.543 115.429 1.114 18107
3182 1 8 . 1 1 7 7 PHE H H 24 8.276 8.276 7.685 0.591 18107
3183 1 8 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.604 -0.109 18107
3184 1 8 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.781 1.239 18107
3185 1 8 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.659 -0.607 18107
3186 1 8 . 1 1 9 9 GLU N N 26 118.298 118.298 119.395 -1.097 18107
3187 1 8 . 1 1 9 9 GLU HA H 26 3.990 3.990 3.928 0.062 18107
3188 1 8 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.832 -0.454 18107
3189 1 8 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.282 0.030 18107
3190 1 8 . 1 1 9 9 GLU H H 26 8.148 8.148 8.542 -0.394 18107
3191 1 8 . 1 1 10 10 ILE N N 27 121.761 121.761 116.600 5.161 18107
3192 1 8 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.779 0.185 18107
3193 1 8 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.592 -0.129 18107
3194 1 8 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.702 0.548 18107
3195 1 8 . 1 1 10 10 ILE H H 27 8.165 8.165 8.134 0.031 18107
3196 1 8 . 1 1 11 11 GLU N N 28 122.042 122.042 121.108 0.934 18107
3197 1 8 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.030 -0.193 18107
3198 1 8 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.766 0.862 18107
3199 1 8 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.223 0.783 18107
3200 1 8 . 1 1 11 11 GLU H H 28 8.541 8.541 7.969 0.572 18107
3201 1 8 . 1 1 12 12 LYS N N 29 117.967 117.967 119.466 -1.499 18107
3202 1 8 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.074 -0.132 18107
3203 1 8 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.490 0.251 18107
3204 1 8 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.178 0.274 18107
3205 1 8 . 1 1 12 12 LYS H H 29 7.517 7.517 7.849 -0.332 18107
3206 1 8 . 1 1 13 13 PHE N N 30 122.144 122.144 120.310 1.834 18107
3207 1 8 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.293 0.136 18107
3208 1 8 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.109 -0.322 18107
3209 1 8 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.722 0.489 18107
3210 1 8 . 1 1 13 13 PHE H H 30 8.066 8.066 7.960 0.106 18107
3211 1 8 . 1 1 14 14 LEU N N 31 119.404 119.404 118.433 0.971 18107
3212 1 8 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.905 -0.171 18107
3213 1 8 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.054 -0.290 18107
3214 1 8 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.309 0.127 18107
3215 1 8 . 1 1 14 14 LEU H H 31 8.739 8.739 8.156 0.583 18107
3216 1 8 . 1 1 15 15 LEU N N 32 121.073 121.073 117.869 3.204 18107
3217 1 8 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.145 -0.185 18107
3218 1 8 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.220 0.112 18107
3219 1 8 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.256 0.706 18107
3220 1 8 . 1 1 15 15 LEU H H 32 7.736 7.736 7.696 0.040 18107
3221 1 8 . 1 1 16 16 HIS N N 33 118.629 118.629 119.080 -0.451 18107
3222 1 8 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.334 0.012 18107
3223 1 8 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.332 1.313 18107
3224 1 8 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.026 0.275 18107
3225 1 8 . 1 1 16 16 HIS H H 33 7.681 7.681 8.330 -0.649 18107
3226 1 8 . 1 1 17 17 ILE N N 34 118.602 118.602 119.452 -0.850 18107
3227 1 8 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.545 0.260 18107
3228 1 8 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.603 -1.096 18107
3229 1 8 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.169 -0.724 18107
3230 1 8 . 1 1 17 17 ILE H H 34 8.502 8.502 8.598 -0.096 18107
3231 1 8 . 1 1 18 18 THR N N 35 117.776 117.776 116.502 1.274 18107
3232 1 8 . 1 1 18 18 THR HA H 35 4.116 4.116 3.881 0.235 18107
3233 1 8 . 1 1 18 18 THR CA C 35 68.694 68.694 67.555 1.139 18107
3234 1 8 . 1 1 18 18 THR CB C 35 68.694 68.694 68.603 0.091 18107
3235 1 8 . 1 1 18 18 THR H H 35 7.726 7.726 7.749 -0.023 18107
3236 1 8 . 1 1 19 19 HIS N N 36 118.130 118.130 120.489 -2.359 18107
3237 1 8 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.228 0.173 18107
3238 1 8 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.220 -0.434 18107
3239 1 8 . 1 1 19 19 HIS CB C 36 29.070 29.070 30.006 -0.936 18107
3240 1 8 . 1 1 19 19 HIS H H 36 7.177 7.177 7.897 -0.720 18107
3241 1 8 . 1 1 20 20 GLU N N 37 119.301 119.301 118.333 0.968 18107
3242 1 8 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.156 -0.106 18107
3243 1 8 . 1 1 20 20 GLU CA C 37 59.557 59.557 58.936 0.621 18107
3244 1 8 . 1 1 20 20 GLU CB C 37 30.056 30.056 28.941 1.115 18107
3245 1 8 . 1 1 20 20 GLU H H 37 7.335 7.335 7.986 -0.651 18107
3246 1 8 . 1 1 21 21 VAL N N 38 122.744 122.744 120.330 2.414 18107
3247 1 8 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.653 -0.231 18107
3248 1 8 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.514 0.535 18107
3249 1 8 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.318 0.055 18107
3250 1 8 . 1 1 21 21 VAL H H 38 8.385 8.385 7.664 0.721 18107
3251 1 8 . 1 1 22 22 ASP N N 39 120.471 120.471 120.404 0.067 18107
3252 1 8 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.562 -0.415 18107
3253 1 8 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.356 0.370 18107
3254 1 8 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.504 -0.117 18107
3255 1 8 . 1 1 22 22 ASP H H 39 8.054 8.054 7.773 0.281 18107
3256 1 8 . 1 1 23 23 ASP N N 40 118.541 118.541 120.065 -1.524 18107
3257 1 8 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.384 0.036 18107
3258 1 8 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.483 0.003 18107
3259 1 8 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.302 -0.128 18107
3260 1 8 . 1 1 23 23 ASP H H 40 7.587 7.587 7.805 -0.218 18107
3261 1 8 . 1 1 24 24 LEU N N 41 123.241 123.241 116.904 6.337 18107
3262 1 8 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.170 -0.002 18107
3263 1 8 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.170 -0.463 18107
3264 1 8 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.061 0.848 18107
3265 1 8 . 1 1 24 24 LEU H H 41 8.032 8.032 8.274 -0.242 18107
3266 1 8 . 1 1 25 25 GLU N N 42 117.508 117.508 120.044 -2.536 18107
3267 1 8 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.001 -0.081 18107
3268 1 8 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.268 -0.186 18107
3269 1 8 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.739 0.124 18107
3270 1 8 . 1 1 25 25 GLU H H 42 8.010 8.010 8.453 -0.443 18107
3271 1 8 . 1 1 26 26 LYS N N 43 117.032 117.032 115.167 1.865 18107
3272 1 8 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.341 -0.098 18107
3273 1 8 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.620 0.631 18107
3274 1 8 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.317 1.190 18107
3275 1 8 . 1 1 26 26 LYS H H 43 7.596 7.596 7.737 -0.141 18107
3276 1 8 . 1 1 27 27 THR N N 44 110.288 110.288 112.511 -2.223 18107
3277 1 8 . 1 1 27 27 THR HA H 44 4.271 4.271 4.431 -0.160 18107
3278 1 8 . 1 1 27 27 THR CA C 44 62.820 62.820 63.478 -0.658 18107
3279 1 8 . 1 1 27 27 THR CB C 44 70.733 70.733 70.180 0.553 18107
3280 1 8 . 1 1 27 27 THR H H 44 8.227 8.227 7.309 0.918 18107
3281 1 8 . 1 1 28 28 GLY N N 45 112.257 112.257 107.384 4.873 18107
3282 1 8 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.074 0.587 18107
3283 1 8 . 1 1 28 28 GLY H H 45 8.727 8.727 8.260 0.467 18107
3284 1 8 . 1 1 29 29 ASN N N 46 118.416 118.416 118.455 -0.039 18107
3285 1 8 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.229 0.240 18107
3286 1 8 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.959 0.338 18107
3287 1 8 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.585 2.525 18107
3288 1 8 . 1 1 29 29 ASN H H 46 7.716 7.716 8.249 -0.533 18107
3289 1 8 . 1 1 30 30 LYS N N 47 126.481 126.481 118.838 7.643 18107
3290 1 8 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.122 -0.134 18107
3291 1 8 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.495 0.697 18107
3292 1 8 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.514 -0.001 18107
3293 1 8 . 1 1 30 30 LYS H H 47 8.770 8.770 8.633 0.137 18107
3294 1 8 . 1 1 31 31 ASP N N 48 121.710 121.710 115.538 6.172 18107
3295 1 8 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.886 -0.419 18107
3296 1 8 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.268 3.367 18107
3297 1 8 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.572 -1.128 18107
3298 1 8 . 1 1 31 31 ASP H H 48 8.229 8.229 8.182 0.047 18107
3299 1 8 . 1 1 32 32 GLU N N 49 121.695 121.695 121.283 0.412 18107
3300 1 8 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.072 0.285 18107
3301 1 8 . 1 1 32 32 GLU H H 49 8.048 8.048 8.500 -0.452 18107
3302 1 8 . 1 1 33 33 LYS N N 50 120.099 120.099 119.830 0.269 18107
3303 1 8 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.910 -0.259 18107
3304 1 8 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.511 0.326 18107
3305 1 8 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.838 1.129 18107
3306 1 8 . 1 1 33 33 LYS H H 50 7.975 7.975 8.541 -0.566 18107
3307 1 8 . 1 1 34 34 ALA N N 51 118.238 118.238 119.629 -1.391 18107
3308 1 8 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.982 0.007 18107
3309 1 8 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.997 0.396 18107
3310 1 8 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.297 -0.085 18107
3311 1 8 . 1 1 34 34 ALA H H 51 7.614 7.614 8.306 -0.692 18107
3312 1 8 . 1 1 35 35 ARG N N 52 120.311 120.311 119.552 0.759 18107
3313 1 8 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.148 1.743 18107
3314 1 8 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.810 1.240 18107
3315 1 8 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.502 -0.091 18107
3316 1 8 . 1 1 35 35 ARG H H 52 7.883 7.883 7.635 0.248 18107
3317 1 8 . 1 1 36 36 LEU N N 53 119.541 119.541 119.119 0.422 18107
3318 1 8 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.136 -0.190 18107
3319 1 8 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.154 0.335 18107
3320 1 8 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.149 1.293 18107
3321 1 8 . 1 1 36 36 LEU H H 53 8.553 8.553 8.540 0.013 18107
3322 1 8 . 1 1 37 37 LEU N N 54 117.789 117.789 120.238 -2.449 18107
3323 1 8 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.869 0.196 18107
3324 1 8 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.161 0.481 18107
3325 1 8 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.336 -0.017 18107
3326 1 8 . 1 1 37 37 LEU H H 54 8.341 8.341 8.313 0.028 18107
3327 1 8 . 1 1 38 38 ARG N N 55 121.176 121.176 118.574 2.602 18107
3328 1 8 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.036 0.032 18107
3329 1 8 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.995 1.330 18107
3330 1 8 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.940 0.130 18107
3331 1 8 . 1 1 38 38 ARG H H 55 7.864 7.864 7.748 0.116 18107
3332 1 8 . 1 1 39 39 GLU N N 56 119.256 119.256 120.373 -1.117 18107
3333 1 8 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.125 -0.066 18107
3334 1 8 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.686 0.208 18107
3335 1 8 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.451 0.450 18107
3336 1 8 . 1 1 39 39 GLU H H 56 8.390 8.390 7.651 0.739 18107
3337 1 8 . 1 1 40 40 LEU N N 57 120.312 120.312 117.933 2.379 18107
3338 1 8 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.224 -0.096 18107
3339 1 8 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.409 0.212 18107
3340 1 8 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.328 0.901 18107
3341 1 8 . 1 1 40 40 LEU H H 57 8.802 8.802 8.201 0.601 18107
3342 1 8 . 1 1 41 41 THR N N 58 117.791 117.791 117.354 0.437 18107
3343 1 8 . 1 1 41 41 THR HA H 58 4.341 4.341 3.844 0.497 18107
3344 1 8 . 1 1 41 41 THR CA C 58 67.542 67.542 68.234 -0.692 18107
3345 1 8 . 1 1 41 41 THR CB C 58 69.157 69.157 68.764 0.393 18107
3346 1 8 . 1 1 41 41 THR H H 58 8.182 8.182 7.850 0.332 18107
3347 1 8 . 1 1 42 42 VAL N N 59 123.554 123.554 121.338 2.216 18107
3348 1 8 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.484 0.239 18107
3349 1 8 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.845 0.010 18107
3350 1 8 . 1 1 42 42 VAL H H 59 7.978 7.978 8.282 -0.304 18107
3351 1 8 . 1 1 43 43 SER N N 60 116.859 116.859 114.196 2.663 18107
3352 1 8 . 1 1 43 43 SER HA H 60 4.155 4.155 1.802 2.353 18107
3353 1 8 . 1 1 43 43 SER CA C 60 63.412 63.412 61.316 2.096 18107
3354 1 8 . 1 1 43 43 SER H H 60 7.715 7.715 7.608 0.107 18107
3355 1 8 . 1 1 44 44 GLU N N 61 124.072 124.072 120.727 3.345 18107
3356 1 8 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.728 -0.102 18107
3357 1 8 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.181 1.321 18107
3358 1 8 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.537 0.257 18107
3359 1 8 . 1 1 44 44 GLU H H 61 8.517 8.517 8.204 0.313 18107
3360 1 8 . 1 1 45 45 ALA N N 62 120.467 120.467 122.124 -1.657 18107
3361 1 8 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.047 0.102 18107
3362 1 8 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.046 0.180 18107
3363 1 8 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.303 -0.458 18107
3364 1 8 . 1 1 45 45 ALA H H 62 7.853 7.853 7.582 0.271 18107
3365 1 8 . 1 1 46 46 PHE N N 63 119.936 119.936 117.271 2.665 18107
3366 1 8 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.231 0.034 18107
3367 1 8 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.802 2.734 18107
3368 1 8 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.488 1.704 18107
3369 1 8 . 1 1 46 46 PHE H H 63 7.946 7.946 7.053 0.893 18107
3370 1 8 . 1 1 47 47 ILE N N 64 122.630 122.630 120.439 2.191 18107
3371 1 8 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.588 0.032 18107
3372 1 8 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.516 1.842 18107
3373 1 8 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.865 1.516 18107
3374 1 8 . 1 1 47 47 ILE H H 64 8.595 8.595 8.034 0.561 18107
3375 1 8 . 1 1 48 48 GLU N N 65 120.257 120.257 118.986 1.271 18107
3376 1 8 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.011 0.578 18107
3377 1 8 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.950 -0.594 18107
3378 1 8 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.506 0.094 18107
3379 1 8 . 1 1 48 48 GLU H H 65 9.078 9.078 8.023 1.055 18107
3380 1 8 . 1 1 49 49 GLY N N 66 108.368 108.368 107.669 0.699 18107
3381 1 8 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.722 0.431 18107
3382 1 8 . 1 1 49 49 GLY H H 66 8.379 8.379 8.427 -0.048 18107
3383 1 8 . 1 1 50 50 SER N N 67 119.358 119.358 117.327 2.031 18107
3384 1 8 . 1 1 50 50 SER HA H 67 3.988 3.988 4.090 -0.102 18107
3385 1 8 . 1 1 50 50 SER CA C 67 62.501 62.501 61.297 1.204 18107
3386 1 8 . 1 1 50 50 SER CB C 67 63.441 63.441 63.164 0.277 18107
3387 1 8 . 1 1 50 50 SER H H 67 7.694 7.694 8.294 -0.600 18107
3388 1 8 . 1 1 51 51 ARG N N 68 121.212 121.212 120.757 0.455 18107
3389 1 8 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.143 -0.235 18107
3390 1 8 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.616 1.425 18107
3391 1 8 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.257 0.500 18107
3392 1 8 . 1 1 51 51 ARG H H 68 8.684 8.684 8.081 0.603 18107
3393 1 8 . 1 1 52 52 GLY N N 69 124.556 124.556 106.448 18.108 18107
3394 1 8 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.770 0.493 18107
3395 1 8 . 1 1 52 52 GLY H H 69 8.068 8.068 8.086 -0.018 18107
3396 1 8 . 1 1 53 53 TYR N N 70 123.123 123.123 122.645 0.478 18107
3397 1 8 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.142 -0.073 18107
3398 1 8 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.587 -0.767 18107
3399 1 8 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.493 -0.746 18107
3400 1 8 . 1 1 53 53 TYR H H 70 7.337 7.337 7.714 -0.377 18107
3401 1 8 . 1 1 54 54 PHE N N 71 117.809 117.809 118.195 -0.386 18107
3402 1 8 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.925 -0.258 18107
3403 1 8 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.619 -0.130 18107
3404 1 8 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.806 0.943 18107
3405 1 8 . 1 1 54 54 PHE H H 71 7.965 7.965 7.286 0.679 18107
3406 1 8 . 1 1 55 55 GLN N N 72 115.519 115.519 117.955 -2.436 18107
3407 1 8 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.067 -0.209 18107
3408 1 8 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.167 0.441 18107
3409 1 8 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.479 0.517 18107
3410 1 8 . 1 1 55 55 GLN H H 72 8.522 8.522 7.978 0.544 18107
3411 1 8 . 1 1 56 56 ARG N N 73 118.947 118.947 118.713 0.234 18107
3412 1 8 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.079 -0.207 18107
3413 1 8 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.356 1.565 18107
3414 1 8 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.787 0.299 18107
3415 1 8 . 1 1 56 56 ARG H H 73 7.677 7.677 7.563 0.114 18107
3416 1 8 . 1 1 57 57 GLU N N 74 121.204 121.204 120.902 0.302 18107
3417 1 8 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.927 -0.245 18107
3418 1 8 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.226 -0.292 18107
3419 1 8 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.926 0.767 18107
3420 1 8 . 1 1 57 57 GLU H H 74 7.897 7.897 8.227 -0.330 18107
3421 1 8 . 1 1 58 58 LEU N N 75 115.348 115.348 119.315 -3.967 18107
3422 1 8 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.163 -0.103 18107
3423 1 8 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.891 -0.996 18107
3424 1 8 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.142 0.188 18107
3425 1 8 . 1 1 58 58 LEU H H 75 7.746 7.746 7.799 -0.053 18107
3426 1 8 . 1 1 59 59 LYS N N 76 117.429 117.429 117.129 0.300 18107
3427 1 8 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.254 -0.054 18107
3428 1 8 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.223 0.385 18107
3429 1 8 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.695 0.188 18107
3430 1 8 . 1 1 59 59 LYS H H 76 7.233 7.233 7.850 -0.617 18107
3431 1 8 . 1 1 60 60 ARG N N 77 120.555 120.555 118.562 1.993 18107
3432 1 8 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.102 0.024 18107
3433 1 8 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.384 -0.685 18107
3434 1 8 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.524 1.274 18107
3435 1 8 . 1 1 60 60 ARG H H 77 7.701 7.701 7.842 -0.141 18107
3436 1 8 . 1 1 61 61 THR N N 78 111.768 111.768 107.268 4.500 18107
3437 1 8 . 1 1 61 61 THR HA H 78 4.414 4.414 4.069 0.345 18107
3438 1 8 . 1 1 61 61 THR CA C 78 62.557 62.557 64.146 -1.589 18107
3439 1 8 . 1 1 61 61 THR CB C 78 69.221 69.221 68.214 1.007 18107
3440 1 8 . 1 1 61 61 THR H H 78 8.638 8.638 8.160 0.478 18107
3441 1 8 . 1 1 62 62 ASP N N 79 120.616 120.616 119.092 1.524 18107
3442 1 8 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.878 -0.246 18107
3443 1 8 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.568 -1.606 18107
3444 1 8 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.307 -1.061 18107
3445 1 8 . 1 1 62 62 ASP H H 79 8.465 8.465 8.312 0.153 18107
3446 1 8 . 1 1 63 63 LEU N N 80 120.063 120.063 116.861 3.202 18107
3447 1 8 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.209 -0.964 18107
3448 1 8 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.846 1.366 18107
3449 1 8 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.908 -2.113 18107
3450 1 8 . 1 1 63 63 LEU H H 80 7.157 7.157 7.485 -0.328 18107
3451 1 8 . 1 1 64 64 ASP N N 81 125.396 125.396 122.974 2.422 18107
3452 1 8 . 1 1 64 64 ASP HA H 81 4.569 4.569 5.031 -0.462 18107
3453 1 8 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.896 1.081 18107
3454 1 8 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.621 -1.821 18107
3455 1 8 . 1 1 64 64 ASP H H 81 8.926 8.926 8.167 0.759 18107
3456 1 8 . 1 1 65 65 LEU N N 82 122.508 122.508 119.557 2.951 18107
3457 1 8 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.241 -0.403 18107
3458 1 8 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.135 0.687 18107
3459 1 8 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.615 0.580 18107
3460 1 8 . 1 1 65 65 LEU H H 82 8.281 8.281 8.237 0.044 18107
3461 1 8 . 1 1 66 66 LEU N N 83 119.413 119.413 120.922 -1.509 18107
3462 1 8 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.010 0.062 18107
3463 1 8 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.472 -0.444 18107
3464 1 8 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.450 0.901 18107
3465 1 8 . 1 1 66 66 LEU H H 83 8.149 8.149 8.181 -0.032 18107
3466 1 8 . 1 1 67 67 GLU N N 84 119.941 119.941 118.285 1.656 18107
3467 1 8 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.751 0.095 18107
3468 1 8 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.733 -1.210 18107
3469 1 8 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.269 0.943 18107
3470 1 8 . 1 1 67 67 GLU H H 84 7.725 7.725 8.563 -0.838 18107
3471 1 8 . 1 1 68 68 LYS N N 85 119.400 119.400 120.146 -0.746 18107
3472 1 8 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.768 0.033 18107
3473 1 8 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.609 1.211 18107
3474 1 8 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.282 0.633 18107
3475 1 8 . 1 1 68 68 LYS H H 85 8.117 8.117 7.954 0.163 18107
3476 1 8 . 1 1 69 69 PHE N N 86 117.969 117.969 119.739 -1.770 18107
3477 1 8 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.147 0.142 18107
3478 1 8 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.519 -0.650 18107
3479 1 8 . 1 1 69 69 PHE CB C 86 38.755 38.755 39.012 -0.257 18107
3480 1 8 . 1 1 69 69 PHE H H 86 7.975 7.975 8.022 -0.047 18107
3481 1 8 . 1 1 70 70 ASN N N 87 118.904 118.904 118.432 0.472 18107
3482 1 8 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.440 -0.079 18107
3483 1 8 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.285 -0.017 18107
3484 1 8 . 1 1 70 70 ASN CB C 87 38.098 38.098 37.835 0.263 18107
3485 1 8 . 1 1 70 70 ASN H H 87 8.259 8.259 7.400 0.859 18107
3486 1 8 . 1 1 71 71 PHE N N 88 121.068 121.068 118.730 2.338 18107
3487 1 8 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.317 0.949 18107
3488 1 8 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.350 1.437 18107
3489 1 8 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.150 0.880 18107
3490 1 8 . 1 1 71 71 PHE H H 88 8.618 8.618 7.471 1.147 18107
3491 1 8 . 1 1 72 72 GLU N N 89 120.500 120.500 119.287 1.213 18107
3492 1 8 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.784 0.069 18107
3493 1 8 . 1 1 72 72 GLU CA C 89 60.497 60.497 58.905 1.592 18107
3494 1 8 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.115 0.396 18107
3495 1 8 . 1 1 72 72 GLU H H 89 8.709 8.709 8.674 0.035 18107
3496 1 8 . 1 1 73 73 ALA N N 90 123.117 123.117 122.111 1.006 18107
3497 1 8 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.074 -0.036 18107
3498 1 8 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.807 0.194 18107
3499 1 8 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.137 -0.189 18107
3500 1 8 . 1 1 73 73 ALA H H 90 8.158 8.158 7.908 0.250 18107
3501 1 8 . 1 1 74 74 ALA N N 91 122.919 122.919 121.196 1.723 18107
3502 1 8 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.172 -0.221 18107
3503 1 8 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.586 0.693 18107
3504 1 8 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.349 -0.683 18107
3505 1 8 . 1 1 74 74 ALA H H 91 7.841 7.841 8.087 -0.246 18107
3506 1 8 . 1 1 75 75 LEU N N 92 119.956 119.956 119.622 0.334 18107
3507 1 8 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.118 -0.071 18107
3508 1 8 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.118 0.341 18107
3509 1 8 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.825 0.334 18107
3510 1 8 . 1 1 75 75 LEU H H 92 8.091 8.091 8.328 -0.237 18107
3511 1 8 . 1 1 76 76 ALA N N 93 120.763 120.763 120.875 -0.112 18107
3512 1 8 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.101 0.029 18107
3513 1 8 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.355 0.049 18107
3514 1 8 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.150 -0.280 18107
3515 1 8 . 1 1 76 76 ALA H H 93 7.774 7.774 7.916 -0.142 18107
3516 1 8 . 1 1 77 77 THR N N 94 117.510 117.510 115.506 2.004 18107
3517 1 8 . 1 1 77 77 THR HA H 94 4.234 4.234 4.097 0.137 18107
3518 1 8 . 1 1 77 77 THR CA C 94 67.364 67.364 66.927 0.437 18107
3519 1 8 . 1 1 77 77 THR CB C 94 68.779 68.779 68.758 0.021 18107
3520 1 8 . 1 1 77 77 THR H H 94 8.188 8.188 7.803 0.385 18107
3521 1 8 . 1 1 78 78 GLY N N 95 110.009 110.009 109.476 0.533 18107
3522 1 8 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.691 1.459 18107
3523 1 8 . 1 1 78 78 GLY H H 95 8.547 8.547 8.869 -0.322 18107
3524 1 8 . 1 1 79 79 ASP N N 96 121.634 121.634 122.847 -1.213 18107
3525 1 8 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.449 -0.181 18107
3526 1 8 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.299 0.637 18107
3527 1 8 . 1 1 79 79 ASP CB C 96 40.640 40.640 41.025 -0.385 18107
3528 1 8 . 1 1 79 79 ASP H H 96 8.548 8.548 8.025 0.523 18107
3529 1 8 . 1 1 80 80 LEU N N 97 122.599 122.599 119.185 3.414 18107
3530 1 8 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.143 -0.135 18107
3531 1 8 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.708 -0.266 18107
3532 1 8 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.608 0.321 18107
3533 1 8 . 1 1 80 80 LEU H H 97 7.618 7.618 7.593 0.025 18107
3534 1 8 . 1 1 81 81 LEU N N 98 119.913 119.913 117.623 2.290 18107
3535 1 8 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.301 -0.270 18107
3536 1 8 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.658 0.149 18107
3537 1 8 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.274 1.087 18107
3538 1 8 . 1 1 81 81 LEU H H 98 8.224 8.224 7.737 0.487 18107
3539 1 8 . 1 1 82 82 LEU N N 99 118.616 118.616 120.959 -2.343 18107
3540 1 8 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.848 0.127 18107
3541 1 8 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.020 0.049 18107
3542 1 8 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.669 0.496 18107
3543 1 8 . 1 1 82 82 LEU H H 99 8.359 8.359 8.540 -0.181 18107
3544 1 8 . 1 1 83 83 LYS N N 100 118.988 118.988 118.841 0.147 18107
3545 1 8 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.958 -0.074 18107
3546 1 8 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.931 0.336 18107
3547 1 8 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.095 0.076 18107
3548 1 8 . 1 1 83 83 LYS H H 100 7.566 7.566 7.833 -0.267 18107
3549 1 8 . 1 1 84 84 ASP N N 101 121.591 121.591 120.858 0.733 18107
3550 1 8 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.488 -0.091 18107
3551 1 8 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.099 0.597 18107
3552 1 8 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.843 -0.438 18107
3553 1 8 . 1 1 84 84 ASP H H 101 7.743 7.743 7.895 -0.152 18107
3554 1 8 . 1 1 85 85 LEU N N 102 123.215 123.215 120.584 2.631 18107
3555 1 8 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.865 -0.015 18107
3556 1 8 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.418 1.423 18107
3557 1 8 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.917 0.654 18107
3558 1 8 . 1 1 85 85 LEU H H 102 8.760 8.760 8.393 0.367 18107
3559 1 8 . 1 1 86 86 LYS N N 103 119.648 119.648 119.122 0.526 18107
3560 1 8 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.972 0.096 18107
3561 1 8 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.173 -0.381 18107
3562 1 8 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.219 -1.087 18107
3563 1 8 . 1 1 86 86 LYS H H 103 8.883 8.883 7.780 1.103 18107
3564 1 8 . 1 1 87 87 ALA N N 104 122.844 122.844 121.521 1.323 18107
3565 1 8 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.138 0.022 18107
3566 1 8 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.827 0.473 18107
3567 1 8 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.146 -0.126 18107
3568 1 8 . 1 1 87 87 ALA H H 104 7.721 7.721 7.683 0.038 18107
3569 1 8 . 1 1 88 88 LEU N N 105 120.380 120.380 118.729 1.651 18107
3570 1 8 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.038 -0.046 18107
3571 1 8 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.066 0.120 18107
3572 1 8 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.258 1.546 18107
3573 1 8 . 1 1 88 88 LEU H H 105 7.762 7.762 8.136 -0.374 18107
3574 1 8 . 1 1 89 89 GLN N N 106 118.781 118.781 119.443 -0.662 18107
3575 1 8 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.894 -0.309 18107
3576 1 8 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.546 0.431 18107
3577 1 8 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.497 1.130 18107
3578 1 8 . 1 1 89 89 GLN H H 106 8.658 8.658 7.997 0.661 18107
3579 1 8 . 1 1 90 90 LYS N N 107 118.977 118.977 118.686 0.291 18107
3580 1 8 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.103 -0.155 18107
3581 1 8 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.501 0.994 18107
3582 1 8 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.663 0.760 18107
3583 1 8 . 1 1 90 90 LYS H H 107 7.786 7.786 7.704 0.082 18107
3584 1 8 . 1 1 91 91 ARG N N 108 117.470 117.470 119.889 -2.419 18107
3585 1 8 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.105 -0.102 18107
3586 1 8 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.364 0.218 18107
3587 1 8 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.289 1.339 18107
3588 1 8 . 1 1 91 91 ARG H H 108 7.469 7.469 7.685 -0.216 18107
3589 1 8 . 1 1 92 92 VAL N N 109 117.865 117.865 119.060 -1.195 18107
3590 1 8 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.761 -0.279 18107
3591 1 8 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.010 0.602 18107
3592 1 8 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.464 0.747 18107
3593 1 8 . 1 1 92 92 VAL H H 109 8.084 8.084 8.424 -0.340 18107
3594 1 8 . 1 1 93 93 GLN N N 110 119.617 119.617 118.744 0.873 18107
3595 1 8 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.046 -0.170 18107
3596 1 8 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.495 0.739 18107
3597 1 8 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.232 0.792 18107
3598 1 8 . 1 1 93 93 GLN H H 110 8.512 8.512 8.524 -0.012 18107
3599 1 8 . 1 1 94 94 ASP N N 111 117.490 117.490 120.378 -2.888 18107
3600 1 8 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.568 -0.077 18107
3601 1 8 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.847 -0.566 18107
3602 1 8 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.468 0.367 18107
3603 1 8 . 1 1 94 94 ASP H H 111 8.194 8.194 8.342 -0.148 18107
3604 1 8 . 1 1 95 95 SER N N 112 116.625 116.625 114.157 2.468 18107
3605 1 8 . 1 1 95 95 SER HA H 112 4.288 4.288 4.224 0.064 18107
3606 1 8 . 1 1 95 95 SER CA C 112 59.770 59.770 60.721 -0.951 18107
3607 1 8 . 1 1 95 95 SER CB C 112 63.990 63.990 63.593 0.397 18107
3608 1 8 . 1 1 95 95 SER H H 112 7.479 7.479 7.716 -0.237 18107
3609 1 9 . 1 1 2 2 THR HA H 19 4.222 4.222 4.093 0.129 18107
3610 1 9 . 1 1 2 2 THR CA C 19 63.013 63.013 65.937 -2.924 18107
3611 1 9 . 1 1 2 2 THR CB C 19 69.504 69.504 68.627 0.877 18107
3612 1 9 . 1 1 3 3 ALA N N 20 125.065 125.065 123.732 1.333 18107
3613 1 9 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.822 0.328 18107
3614 1 9 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.839 0.117 18107
3615 1 9 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.247 0.750 18107
3616 1 9 . 1 1 3 3 ALA H H 20 8.404 8.404 8.331 0.073 18107
3617 1 9 . 1 1 4 4 THR N N 21 109.840 109.840 111.340 -1.500 18107
3618 1 9 . 1 1 4 4 THR HA H 21 4.235 4.235 3.841 0.394 18107
3619 1 9 . 1 1 4 4 THR CA C 21 64.668 64.668 64.687 -0.019 18107
3620 1 9 . 1 1 4 4 THR CB C 21 68.923 68.923 67.840 1.083 18107
3621 1 9 . 1 1 4 4 THR H H 21 7.910 7.910 7.941 -0.031 18107
3622 1 9 . 1 1 5 5 GLN N N 22 122.037 122.037 119.924 2.113 18107
3623 1 9 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.151 -0.100 18107
3624 1 9 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.456 -0.292 18107
3625 1 9 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.800 -0.243 18107
3626 1 9 . 1 1 5 5 GLN H H 22 7.953 7.953 7.532 0.421 18107
3627 1 9 . 1 1 6 6 ARG N N 23 118.944 118.944 118.925 0.019 18107
3628 1 9 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.057 0.049 18107
3629 1 9 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.609 -0.517 18107
3630 1 9 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.409 -0.262 18107
3631 1 9 . 1 1 6 6 ARG H H 23 7.922 7.922 7.436 0.486 18107
3632 1 9 . 1 1 7 7 PHE N N 24 116.543 116.543 114.780 1.763 18107
3633 1 9 . 1 1 7 7 PHE H H 24 8.276 8.276 7.594 0.682 18107
3634 1 9 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.538 -0.043 18107
3635 1 9 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.279 1.741 18107
3636 1 9 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.134 -1.082 18107
3637 1 9 . 1 1 9 9 GLU N N 26 118.298 118.298 119.896 -1.598 18107
3638 1 9 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.120 -0.130 18107
3639 1 9 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.910 -0.532 18107
3640 1 9 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.525 -0.213 18107
3641 1 9 . 1 1 9 9 GLU H H 26 8.148 8.148 8.595 -0.447 18107
3642 1 9 . 1 1 10 10 ILE N N 27 121.761 121.761 117.366 4.395 18107
3643 1 9 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.652 0.312 18107
3644 1 9 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.188 -1.725 18107
3645 1 9 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.825 -0.575 18107
3646 1 9 . 1 1 10 10 ILE H H 27 8.165 8.165 8.285 -0.120 18107
3647 1 9 . 1 1 11 11 GLU N N 28 122.042 122.042 120.867 1.175 18107
3648 1 9 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.971 -0.134 18107
3649 1 9 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.130 0.498 18107
3650 1 9 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.482 0.524 18107
3651 1 9 . 1 1 11 11 GLU H H 28 8.541 8.541 8.147 0.394 18107
3652 1 9 . 1 1 12 12 LYS N N 29 117.967 117.967 119.353 -1.386 18107
3653 1 9 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.047 -0.105 18107
3654 1 9 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.592 0.149 18107
3655 1 9 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.234 0.218 18107
3656 1 9 . 1 1 12 12 LYS H H 29 7.517 7.517 7.831 -0.314 18107
3657 1 9 . 1 1 13 13 PHE N N 30 122.144 122.144 120.114 2.030 18107
3658 1 9 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.283 0.146 18107
3659 1 9 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.838 -1.051 18107
3660 1 9 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.756 0.455 18107
3661 1 9 . 1 1 13 13 PHE H H 30 8.066 8.066 8.100 -0.034 18107
3662 1 9 . 1 1 14 14 LEU N N 31 119.404 119.404 119.967 -0.563 18107
3663 1 9 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.923 -0.189 18107
3664 1 9 . 1 1 14 14 LEU CA C 31 57.764 57.764 59.108 -1.344 18107
3665 1 9 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.657 -0.221 18107
3666 1 9 . 1 1 14 14 LEU H H 31 8.739 8.739 8.167 0.572 18107
3667 1 9 . 1 1 15 15 LEU N N 32 121.073 121.073 118.150 2.923 18107
3668 1 9 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.908 0.052 18107
3669 1 9 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.877 0.455 18107
3670 1 9 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.813 1.149 18107
3671 1 9 . 1 1 15 15 LEU H H 32 7.736 7.736 7.564 0.172 18107
3672 1 9 . 1 1 16 16 HIS N N 33 118.629 118.629 119.430 -0.801 18107
3673 1 9 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.274 0.072 18107
3674 1 9 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.817 -0.172 18107
3675 1 9 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.439 -0.138 18107
3676 1 9 . 1 1 16 16 HIS H H 33 7.681 7.681 8.161 -0.480 18107
3677 1 9 . 1 1 17 17 ILE N N 34 118.602 118.602 120.024 -1.422 18107
3678 1 9 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.789 0.016 18107
3679 1 9 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.999 -1.492 18107
3680 1 9 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.287 -0.842 18107
3681 1 9 . 1 1 17 17 ILE H H 34 8.502 8.502 8.825 -0.323 18107
3682 1 9 . 1 1 18 18 THR N N 35 117.776 117.776 116.108 1.668 18107
3683 1 9 . 1 1 18 18 THR HA H 35 4.116 4.116 3.909 0.207 18107
3684 1 9 . 1 1 18 18 THR CA C 35 68.694 68.694 67.413 1.281 18107
3685 1 9 . 1 1 18 18 THR CB C 35 68.694 68.694 68.516 0.178 18107
3686 1 9 . 1 1 18 18 THR H H 35 7.726 7.726 7.762 -0.036 18107
3687 1 9 . 1 1 19 19 HIS N N 36 118.130 118.130 120.415 -2.285 18107
3688 1 9 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.199 0.202 18107
3689 1 9 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.378 0.408 18107
3690 1 9 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.701 -0.631 18107
3691 1 9 . 1 1 19 19 HIS H H 36 7.177 7.177 7.878 -0.701 18107
3692 1 9 . 1 1 20 20 GLU N N 37 119.301 119.301 118.871 0.430 18107
3693 1 9 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.993 0.057 18107
3694 1 9 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.184 0.373 18107
3695 1 9 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.503 0.553 18107
3696 1 9 . 1 1 20 20 GLU H H 37 7.335 7.335 7.824 -0.489 18107
3697 1 9 . 1 1 21 21 VAL N N 38 122.744 122.744 119.780 2.964 18107
3698 1 9 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.606 -0.184 18107
3699 1 9 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.799 0.250 18107
3700 1 9 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.567 -0.194 18107
3701 1 9 . 1 1 21 21 VAL H H 38 8.385 8.385 7.648 0.737 18107
3702 1 9 . 1 1 22 22 ASP N N 39 120.471 120.471 119.562 0.909 18107
3703 1 9 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.366 -0.219 18107
3704 1 9 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.808 -0.082 18107
3705 1 9 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.470 -0.083 18107
3706 1 9 . 1 1 22 22 ASP H H 39 8.054 8.054 7.767 0.287 18107
3707 1 9 . 1 1 23 23 ASP N N 40 118.541 118.541 120.212 -1.671 18107
3708 1 9 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.397 0.023 18107
3709 1 9 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.213 0.274 18107
3710 1 9 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.450 -0.276 18107
3711 1 9 . 1 1 23 23 ASP H H 40 7.587 7.587 7.702 -0.115 18107
3712 1 9 . 1 1 24 24 LEU N N 41 123.241 123.241 116.429 6.812 18107
3713 1 9 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.360 -0.192 18107
3714 1 9 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.803 -0.096 18107
3715 1 9 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.495 0.414 18107
3716 1 9 . 1 1 24 24 LEU H H 41 8.032 8.032 8.186 -0.154 18107
3717 1 9 . 1 1 25 25 GLU N N 42 117.508 117.508 117.887 -0.379 18107
3718 1 9 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.004 -0.084 18107
3719 1 9 . 1 1 25 25 GLU CA C 42 59.082 59.082 58.903 0.179 18107
3720 1 9 . 1 1 25 25 GLU CB C 42 29.863 29.863 28.965 0.898 18107
3721 1 9 . 1 1 25 25 GLU H H 42 8.010 8.010 8.493 -0.483 18107
3722 1 9 . 1 1 26 26 LYS N N 43 117.032 117.032 118.010 -0.978 18107
3723 1 9 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.156 0.087 18107
3724 1 9 . 1 1 26 26 LYS CA C 43 58.251 58.251 58.224 0.027 18107
3725 1 9 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.342 1.165 18107
3726 1 9 . 1 1 26 26 LYS H H 43 7.596 7.596 7.672 -0.076 18107
3727 1 9 . 1 1 27 27 THR N N 44 110.288 110.288 111.517 -1.229 18107
3728 1 9 . 1 1 27 27 THR HA H 44 4.271 4.271 4.404 -0.133 18107
3729 1 9 . 1 1 27 27 THR CA C 44 62.820 62.820 63.280 -0.460 18107
3730 1 9 . 1 1 27 27 THR CB C 44 70.733 70.733 71.256 -0.523 18107
3731 1 9 . 1 1 27 27 THR H H 44 8.227 8.227 7.534 0.693 18107
3732 1 9 . 1 1 28 28 GLY N N 45 112.257 112.257 108.214 4.043 18107
3733 1 9 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.986 0.675 18107
3734 1 9 . 1 1 28 28 GLY H H 45 8.727 8.727 8.362 0.365 18107
3735 1 9 . 1 1 29 29 ASN N N 46 118.416 118.416 118.067 0.349 18107
3736 1 9 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.371 0.098 18107
3737 1 9 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.850 0.447 18107
3738 1 9 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.441 2.669 18107
3739 1 9 . 1 1 29 29 ASN H H 46 7.716 7.716 8.199 -0.483 18107
3740 1 9 . 1 1 30 30 LYS N N 47 126.481 126.481 118.901 7.580 18107
3741 1 9 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.062 -0.074 18107
3742 1 9 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.863 0.328 18107
3743 1 9 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.505 0.008 18107
3744 1 9 . 1 1 30 30 LYS H H 47 8.770 8.770 8.094 0.676 18107
3745 1 9 . 1 1 31 31 ASP N N 48 121.710 121.710 114.841 6.869 18107
3746 1 9 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.859 -0.392 18107
3747 1 9 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.411 3.224 18107
3748 1 9 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.638 -1.194 18107
3749 1 9 . 1 1 31 31 ASP H H 48 8.229 8.229 8.048 0.181 18107
3750 1 9 . 1 1 32 32 GLU N N 49 121.695 121.695 121.290 0.405 18107
3751 1 9 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.083 0.274 18107
3752 1 9 . 1 1 32 32 GLU H H 49 8.048 8.048 8.725 -0.677 18107
3753 1 9 . 1 1 33 33 LYS N N 50 120.099 120.099 119.726 0.373 18107
3754 1 9 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.916 -0.265 18107
3755 1 9 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.734 0.103 18107
3756 1 9 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.087 0.880 18107
3757 1 9 . 1 1 33 33 LYS H H 50 7.975 7.975 8.372 -0.397 18107
3758 1 9 . 1 1 34 34 ALA N N 51 118.238 118.238 119.523 -1.285 18107
3759 1 9 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.994 -0.005 18107
3760 1 9 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.147 0.246 18107
3761 1 9 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.277 -0.065 18107
3762 1 9 . 1 1 34 34 ALA H H 51 7.614 7.614 8.365 -0.751 18107
3763 1 9 . 1 1 35 35 ARG N N 52 120.311 120.311 119.817 0.494 18107
3764 1 9 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.182 1.709 18107
3765 1 9 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.629 1.421 18107
3766 1 9 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.360 0.051 18107
3767 1 9 . 1 1 35 35 ARG H H 52 7.883 7.883 7.742 0.141 18107
3768 1 9 . 1 1 36 36 LEU N N 53 119.541 119.541 119.150 0.391 18107
3769 1 9 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.210 -0.264 18107
3770 1 9 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.187 0.302 18107
3771 1 9 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.271 1.171 18107
3772 1 9 . 1 1 36 36 LEU H H 53 8.553 8.553 8.507 0.046 18107
3773 1 9 . 1 1 37 37 LEU N N 54 117.789 117.789 120.344 -2.555 18107
3774 1 9 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.886 0.179 18107
3775 1 9 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.075 0.567 18107
3776 1 9 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.458 -0.139 18107
3777 1 9 . 1 1 37 37 LEU H H 54 8.341 8.341 8.455 -0.114 18107
3778 1 9 . 1 1 38 38 ARG N N 55 121.176 121.176 118.788 2.388 18107
3779 1 9 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.033 0.035 18107
3780 1 9 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.059 1.266 18107
3781 1 9 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.987 0.083 18107
3782 1 9 . 1 1 38 38 ARG H H 55 7.864 7.864 7.825 0.039 18107
3783 1 9 . 1 1 39 39 GLU N N 56 119.256 119.256 120.723 -1.467 18107
3784 1 9 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.128 -0.068 18107
3785 1 9 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.655 0.239 18107
3786 1 9 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.562 0.339 18107
3787 1 9 . 1 1 39 39 GLU H H 56 8.390 8.390 7.703 0.687 18107
3788 1 9 . 1 1 40 40 LEU N N 57 120.312 120.312 117.057 3.255 18107
3789 1 9 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.256 -0.128 18107
3790 1 9 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.278 0.343 18107
3791 1 9 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.321 0.908 18107
3792 1 9 . 1 1 40 40 LEU H H 57 8.802 8.802 8.055 0.747 18107
3793 1 9 . 1 1 41 41 THR N N 58 117.791 117.791 117.534 0.257 18107
3794 1 9 . 1 1 41 41 THR HA H 58 4.341 4.341 4.220 0.121 18107
3795 1 9 . 1 1 41 41 THR CA C 58 67.542 67.542 65.972 1.570 18107
3796 1 9 . 1 1 41 41 THR CB C 58 69.157 69.157 68.256 0.901 18107
3797 1 9 . 1 1 41 41 THR H H 58 8.182 8.182 7.945 0.237 18107
3798 1 9 . 1 1 42 42 VAL N N 59 123.554 123.554 121.088 2.466 18107
3799 1 9 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.520 0.203 18107
3800 1 9 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.914 -0.059 18107
3801 1 9 . 1 1 42 42 VAL H H 59 7.978 7.978 8.364 -0.386 18107
3802 1 9 . 1 1 43 43 SER N N 60 116.859 116.859 114.800 2.059 18107
3803 1 9 . 1 1 43 43 SER HA H 60 4.155 4.155 2.074 2.081 18107
3804 1 9 . 1 1 43 43 SER CA C 60 63.412 63.412 61.442 1.970 18107
3805 1 9 . 1 1 43 43 SER H H 60 7.715 7.715 7.555 0.160 18107
3806 1 9 . 1 1 44 44 GLU N N 61 124.072 124.072 120.610 3.462 18107
3807 1 9 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.740 -0.114 18107
3808 1 9 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.118 1.384 18107
3809 1 9 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.379 0.415 18107
3810 1 9 . 1 1 44 44 GLU H H 61 8.517 8.517 8.255 0.262 18107
3811 1 9 . 1 1 45 45 ALA N N 62 120.467 120.467 122.280 -1.813 18107
3812 1 9 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.051 0.098 18107
3813 1 9 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.922 0.304 18107
3814 1 9 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.445 -0.600 18107
3815 1 9 . 1 1 45 45 ALA H H 62 7.853 7.853 7.553 0.300 18107
3816 1 9 . 1 1 46 46 PHE N N 63 119.936 119.936 116.778 3.158 18107
3817 1 9 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.290 -0.025 18107
3818 1 9 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.554 2.982 18107
3819 1 9 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.670 1.522 18107
3820 1 9 . 1 1 46 46 PHE H H 63 7.946 7.946 7.015 0.931 18107
3821 1 9 . 1 1 47 47 ILE N N 64 122.630 122.630 120.388 2.242 18107
3822 1 9 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.634 -0.014 18107
3823 1 9 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.094 2.264 18107
3824 1 9 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.962 1.419 18107
3825 1 9 . 1 1 47 47 ILE H H 64 8.595 8.595 8.111 0.484 18107
3826 1 9 . 1 1 48 48 GLU N N 65 120.257 120.257 119.718 0.539 18107
3827 1 9 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.984 0.605 18107
3828 1 9 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.920 -0.564 18107
3829 1 9 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.533 0.068 18107
3830 1 9 . 1 1 48 48 GLU H H 65 9.078 9.078 7.937 1.141 18107
3831 1 9 . 1 1 49 49 GLY N N 66 108.368 108.368 106.697 1.671 18107
3832 1 9 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.864 0.289 18107
3833 1 9 . 1 1 49 49 GLY H H 66 8.379 8.379 8.058 0.321 18107
3834 1 9 . 1 1 50 50 SER N N 67 119.358 119.358 117.046 2.312 18107
3835 1 9 . 1 1 50 50 SER HA H 67 3.988 3.988 4.054 -0.066 18107
3836 1 9 . 1 1 50 50 SER CA C 67 62.501 62.501 60.922 1.579 18107
3837 1 9 . 1 1 50 50 SER CB C 67 63.441 63.441 63.023 0.418 18107
3838 1 9 . 1 1 50 50 SER H H 67 7.694 7.694 7.861 -0.167 18107
3839 1 9 . 1 1 51 51 ARG N N 68 121.212 121.212 120.787 0.425 18107
3840 1 9 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.154 -0.246 18107
3841 1 9 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.568 1.473 18107
3842 1 9 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.258 0.499 18107
3843 1 9 . 1 1 51 51 ARG H H 68 8.684 8.684 7.824 0.860 18107
3844 1 9 . 1 1 52 52 GLY N N 69 124.556 124.556 106.339 18.217 18107
3845 1 9 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.809 0.454 18107
3846 1 9 . 1 1 52 52 GLY H H 69 8.068 8.068 8.124 -0.056 18107
3847 1 9 . 1 1 53 53 TYR N N 70 123.123 123.123 123.323 -0.200 18107
3848 1 9 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.104 -0.035 18107
3849 1 9 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.508 -0.688 18107
3850 1 9 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.458 -0.711 18107
3851 1 9 . 1 1 53 53 TYR H H 70 7.337 7.337 7.586 -0.249 18107
3852 1 9 . 1 1 54 54 PHE N N 71 117.809 117.809 118.210 -0.401 18107
3853 1 9 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.994 -0.327 18107
3854 1 9 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.761 -0.272 18107
3855 1 9 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.890 0.859 18107
3856 1 9 . 1 1 54 54 PHE H H 71 7.965 7.965 7.492 0.473 18107
3857 1 9 . 1 1 55 55 GLN N N 72 115.519 115.519 117.844 -2.325 18107
3858 1 9 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.035 -0.177 18107
3859 1 9 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.730 0.878 18107
3860 1 9 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.436 0.560 18107
3861 1 9 . 1 1 55 55 GLN H H 72 8.522 8.522 8.010 0.512 18107
3862 1 9 . 1 1 56 56 ARG N N 73 118.947 118.947 118.461 0.486 18107
3863 1 9 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.113 -0.241 18107
3864 1 9 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.106 1.815 18107
3865 1 9 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.707 0.379 18107
3866 1 9 . 1 1 56 56 ARG H H 73 7.677 7.677 7.581 0.096 18107
3867 1 9 . 1 1 57 57 GLU N N 74 121.204 121.204 121.003 0.201 18107
3868 1 9 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.921 -0.239 18107
3869 1 9 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.173 -0.239 18107
3870 1 9 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.861 0.832 18107
3871 1 9 . 1 1 57 57 GLU H H 74 7.897 7.897 8.225 -0.328 18107
3872 1 9 . 1 1 58 58 LEU N N 75 115.348 115.348 119.264 -3.916 18107
3873 1 9 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.197 -0.137 18107
3874 1 9 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.574 -0.680 18107
3875 1 9 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.157 0.173 18107
3876 1 9 . 1 1 58 58 LEU H H 75 7.746 7.746 7.781 -0.035 18107
3877 1 9 . 1 1 59 59 LYS N N 76 117.429 117.429 115.685 1.744 18107
3878 1 9 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.374 -0.174 18107
3879 1 9 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.423 1.185 18107
3880 1 9 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.309 0.574 18107
3881 1 9 . 1 1 59 59 LYS H H 76 7.233 7.233 7.959 -0.726 18107
3882 1 9 . 1 1 60 60 ARG N N 77 120.555 120.555 120.626 -0.071 18107
3883 1 9 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.028 0.098 18107
3884 1 9 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.901 -1.202 18107
3885 1 9 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.336 1.462 18107
3886 1 9 . 1 1 60 60 ARG H H 77 7.701 7.701 7.985 -0.284 18107
3887 1 9 . 1 1 61 61 THR N N 78 111.768 111.768 107.426 4.342 18107
3888 1 9 . 1 1 61 61 THR HA H 78 4.414 4.414 4.061 0.353 18107
3889 1 9 . 1 1 61 61 THR CA C 78 62.557 62.557 64.069 -1.512 18107
3890 1 9 . 1 1 61 61 THR CB C 78 69.221 69.221 68.123 1.098 18107
3891 1 9 . 1 1 61 61 THR H H 78 8.638 8.638 8.228 0.410 18107
3892 1 9 . 1 1 62 62 ASP N N 79 120.616 120.616 119.779 0.837 18107
3893 1 9 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.834 -0.202 18107
3894 1 9 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.433 -1.471 18107
3895 1 9 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.501 -1.255 18107
3896 1 9 . 1 1 62 62 ASP H H 79 8.465 8.465 8.519 -0.054 18107
3897 1 9 . 1 1 63 63 LEU N N 80 120.063 120.063 117.642 2.421 18107
3898 1 9 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.773 -0.528 18107
3899 1 9 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.880 1.332 18107
3900 1 9 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.468 -1.673 18107
3901 1 9 . 1 1 63 63 LEU H H 80 7.157 7.157 7.546 -0.389 18107
3902 1 9 . 1 1 64 64 ASP N N 81 125.396 125.396 122.090 3.306 18107
3903 1 9 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.951 -0.382 18107
3904 1 9 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.685 1.292 18107
3905 1 9 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.439 -0.639 18107
3906 1 9 . 1 1 64 64 ASP H H 81 8.926 8.926 8.368 0.558 18107
3907 1 9 . 1 1 65 65 LEU N N 82 122.508 122.508 121.073 1.435 18107
3908 1 9 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.102 -0.264 18107
3909 1 9 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.741 1.080 18107
3910 1 9 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.921 0.274 18107
3911 1 9 . 1 1 65 65 LEU H H 82 8.281 8.281 8.322 -0.041 18107
3912 1 9 . 1 1 66 66 LEU N N 83 119.413 119.413 119.690 -0.277 18107
3913 1 9 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.049 0.023 18107
3914 1 9 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.555 -0.527 18107
3915 1 9 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.818 0.533 18107
3916 1 9 . 1 1 66 66 LEU H H 83 8.149 8.149 7.848 0.301 18107
3917 1 9 . 1 1 67 67 GLU N N 84 119.941 119.941 118.374 1.567 18107
3918 1 9 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.749 0.097 18107
3919 1 9 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.188 -0.665 18107
3920 1 9 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.000 1.212 18107
3921 1 9 . 1 1 67 67 GLU H H 84 7.725 7.725 8.546 -0.821 18107
3922 1 9 . 1 1 68 68 LYS N N 85 119.400 119.400 119.597 -0.197 18107
3923 1 9 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.841 -0.040 18107
3924 1 9 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.249 1.571 18107
3925 1 9 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.263 0.652 18107
3926 1 9 . 1 1 68 68 LYS H H 85 8.117 8.117 8.124 -0.007 18107
3927 1 9 . 1 1 69 69 PHE N N 86 117.969 117.969 120.180 -2.211 18107
3928 1 9 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.099 0.190 18107
3929 1 9 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.711 0.158 18107
3930 1 9 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.769 -0.014 18107
3931 1 9 . 1 1 69 69 PHE H H 86 7.975 7.975 8.328 -0.353 18107
3932 1 9 . 1 1 70 70 ASN N N 87 118.904 118.904 118.342 0.562 18107
3933 1 9 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.224 0.137 18107
3934 1 9 . 1 1 70 70 ASN CA C 87 56.268 56.268 57.089 -0.821 18107
3935 1 9 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.310 -0.212 18107
3936 1 9 . 1 1 70 70 ASN H H 87 8.259 8.259 7.343 0.916 18107
3937 1 9 . 1 1 71 71 PHE N N 88 121.068 121.068 118.337 2.731 18107
3938 1 9 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.526 0.740 18107
3939 1 9 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.489 1.298 18107
3940 1 9 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.385 0.645 18107
3941 1 9 . 1 1 71 71 PHE H H 88 8.618 8.618 7.391 1.227 18107
3942 1 9 . 1 1 72 72 GLU N N 89 120.500 120.500 119.465 1.035 18107
3943 1 9 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.958 -0.105 18107
3944 1 9 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.470 1.027 18107
3945 1 9 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.150 0.361 18107
3946 1 9 . 1 1 72 72 GLU H H 89 8.709 8.709 8.704 0.005 18107
3947 1 9 . 1 1 73 73 ALA N N 90 123.117 123.117 121.932 1.185 18107
3948 1 9 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.885 0.153 18107
3949 1 9 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.677 0.324 18107
3950 1 9 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.779 0.170 18107
3951 1 9 . 1 1 73 73 ALA H H 90 8.158 8.158 7.831 0.327 18107
3952 1 9 . 1 1 74 74 ALA N N 91 122.919 122.919 121.168 1.751 18107
3953 1 9 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.024 -0.073 18107
3954 1 9 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.472 0.807 18107
3955 1 9 . 1 1 74 74 ALA CB C 91 17.666 17.666 17.923 -0.257 18107
3956 1 9 . 1 1 74 74 ALA H H 91 7.841 7.841 7.968 -0.127 18107
3957 1 9 . 1 1 75 75 LEU N N 92 119.956 119.956 119.680 0.276 18107
3958 1 9 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.106 -0.059 18107
3959 1 9 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.131 0.328 18107
3960 1 9 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.833 0.327 18107
3961 1 9 . 1 1 75 75 LEU H H 92 8.091 8.091 8.217 -0.126 18107
3962 1 9 . 1 1 76 76 ALA N N 93 120.763 120.763 120.527 0.236 18107
3963 1 9 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.102 0.028 18107
3964 1 9 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.307 0.097 18107
3965 1 9 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.205 -0.335 18107
3966 1 9 . 1 1 76 76 ALA H H 93 7.774 7.774 7.890 -0.116 18107
3967 1 9 . 1 1 77 77 THR N N 94 117.510 117.510 115.472 2.038 18107
3968 1 9 . 1 1 77 77 THR HA H 94 4.234 4.234 4.094 0.140 18107
3969 1 9 . 1 1 77 77 THR CA C 94 67.364 67.364 66.808 0.556 18107
3970 1 9 . 1 1 77 77 THR CB C 94 68.779 68.779 68.710 0.069 18107
3971 1 9 . 1 1 77 77 THR H H 94 8.188 8.188 7.723 0.465 18107
3972 1 9 . 1 1 78 78 GLY N N 95 110.009 110.009 110.041 -0.032 18107
3973 1 9 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.848 1.302 18107
3974 1 9 . 1 1 78 78 GLY H H 95 8.547 8.547 8.874 -0.327 18107
3975 1 9 . 1 1 79 79 ASP N N 96 121.634 121.634 122.539 -0.905 18107
3976 1 9 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.458 -0.190 18107
3977 1 9 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.761 1.175 18107
3978 1 9 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.762 -0.122 18107
3979 1 9 . 1 1 79 79 ASP H H 96 8.548 8.548 8.060 0.488 18107
3980 1 9 . 1 1 80 80 LEU N N 97 122.599 122.599 119.758 2.841 18107
3981 1 9 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.038 -0.030 18107
3982 1 9 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.707 0.735 18107
3983 1 9 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.216 -0.287 18107
3984 1 9 . 1 1 80 80 LEU H H 97 7.618 7.618 7.616 0.002 18107
3985 1 9 . 1 1 81 81 LEU N N 98 119.913 119.913 117.845 2.068 18107
3986 1 9 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.087 -0.056 18107
3987 1 9 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.167 -0.359 18107
3988 1 9 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.223 1.138 18107
3989 1 9 . 1 1 81 81 LEU H H 98 8.224 8.224 7.949 0.275 18107
3990 1 9 . 1 1 82 82 LEU N N 99 118.616 118.616 120.771 -2.155 18107
3991 1 9 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.854 0.121 18107
3992 1 9 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.909 0.160 18107
3993 1 9 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.642 0.523 18107
3994 1 9 . 1 1 82 82 LEU H H 99 8.359 8.359 8.424 -0.065 18107
3995 1 9 . 1 1 83 83 LYS N N 100 118.988 118.988 118.942 0.046 18107
3996 1 9 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.938 -0.054 18107
3997 1 9 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.236 0.030 18107
3998 1 9 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.120 0.051 18107
3999 1 9 . 1 1 83 83 LYS H H 100 7.566 7.566 7.858 -0.292 18107
4000 1 9 . 1 1 84 84 ASP N N 101 121.591 121.591 120.637 0.954 18107
4001 1 9 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.486 -0.089 18107
4002 1 9 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.532 1.164 18107
4003 1 9 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.718 -0.313 18107
4004 1 9 . 1 1 84 84 ASP H H 101 7.743 7.743 7.959 -0.216 18107
4005 1 9 . 1 1 85 85 LEU N N 102 123.215 123.215 120.418 2.797 18107
4006 1 9 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.890 -0.040 18107
4007 1 9 . 1 1 85 85 LEU CA C 102 59.841 59.841 57.921 1.920 18107
4008 1 9 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.748 0.824 18107
4009 1 9 . 1 1 85 85 LEU H H 102 8.760 8.760 8.318 0.442 18107
4010 1 9 . 1 1 86 86 LYS N N 103 119.648 119.648 119.646 0.002 18107
4011 1 9 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.024 0.044 18107
4012 1 9 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.112 -0.320 18107
4013 1 9 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.259 -1.127 18107
4014 1 9 . 1 1 86 86 LYS H H 103 8.883 8.883 7.725 1.158 18107
4015 1 9 . 1 1 87 87 ALA N N 104 122.844 122.844 121.397 1.447 18107
4016 1 9 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.135 0.025 18107
4017 1 9 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.825 0.475 18107
4018 1 9 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.163 -0.143 18107
4019 1 9 . 1 1 87 87 ALA H H 104 7.721 7.721 7.661 0.060 18107
4020 1 9 . 1 1 88 88 LEU N N 105 120.380 120.380 118.683 1.697 18107
4021 1 9 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.049 -0.057 18107
4022 1 9 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.039 0.147 18107
4023 1 9 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.238 1.566 18107
4024 1 9 . 1 1 88 88 LEU H H 105 7.762 7.762 8.008 -0.246 18107
4025 1 9 . 1 1 89 89 GLN N N 106 118.781 118.781 119.437 -0.656 18107
4026 1 9 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.909 -0.324 18107
4027 1 9 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.632 0.345 18107
4028 1 9 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.489 1.138 18107
4029 1 9 . 1 1 89 89 GLN H H 106 8.658 8.658 7.986 0.672 18107
4030 1 9 . 1 1 90 90 LYS N N 107 118.977 118.977 119.045 -0.068 18107
4031 1 9 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.083 -0.135 18107
4032 1 9 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.415 1.080 18107
4033 1 9 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.773 0.650 18107
4034 1 9 . 1 1 90 90 LYS H H 107 7.786 7.786 7.737 0.049 18107
4035 1 9 . 1 1 91 91 ARG N N 108 117.470 117.470 120.406 -2.936 18107
4036 1 9 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.126 -0.123 18107
4037 1 9 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.461 0.121 18107
4038 1 9 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.066 1.562 18107
4039 1 9 . 1 1 91 91 ARG H H 108 7.469 7.469 7.611 -0.142 18107
4040 1 9 . 1 1 92 92 VAL N N 109 117.865 117.865 119.556 -1.691 18107
4041 1 9 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.677 -0.195 18107
4042 1 9 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.370 0.241 18107
4043 1 9 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.528 0.683 18107
4044 1 9 . 1 1 92 92 VAL H H 109 8.084 8.084 8.437 -0.353 18107
4045 1 9 . 1 1 93 93 GLN N N 110 119.617 119.617 118.405 1.212 18107
4046 1 9 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.080 -0.204 18107
4047 1 9 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.791 0.443 18107
4048 1 9 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.398 0.626 18107
4049 1 9 . 1 1 93 93 GLN H H 110 8.512 8.512 8.476 0.036 18107
4050 1 9 . 1 1 94 94 ASP N N 111 117.490 117.490 118.470 -0.980 18107
4051 1 9 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.667 -0.176 18107
4052 1 9 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.888 -0.607 18107
4053 1 9 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.202 -0.367 18107
4054 1 9 . 1 1 94 94 ASP H H 111 8.194 8.194 8.163 0.031 18107
4055 1 9 . 1 1 95 95 SER N N 112 116.625 116.625 114.208 2.417 18107
4056 1 9 . 1 1 95 95 SER HA H 112 4.288 4.288 4.244 0.044 18107
4057 1 9 . 1 1 95 95 SER CA C 112 59.770 59.770 60.726 -0.956 18107
4058 1 9 . 1 1 95 95 SER CB C 112 63.990 63.990 63.415 0.575 18107
4059 1 9 . 1 1 95 95 SER H H 112 7.479 7.479 7.846 -0.367 18107
4060 1 10 . 1 1 2 2 THR HA H 19 4.222 4.222 4.155 0.067 18107
4061 1 10 . 1 1 2 2 THR CA C 19 63.013 63.013 65.607 -2.594 18107
4062 1 10 . 1 1 2 2 THR CB C 19 69.504 69.504 68.954 0.549 18107
4063 1 10 . 1 1 3 3 ALA N N 20 125.065 125.065 124.408 0.657 18107
4064 1 10 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.969 0.181 18107
4065 1 10 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.334 -0.378 18107
4066 1 10 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.204 0.793 18107
4067 1 10 . 1 1 3 3 ALA H H 20 8.404 8.404 8.183 0.221 18107
4068 1 10 . 1 1 4 4 THR N N 21 109.840 109.840 112.022 -2.182 18107
4069 1 10 . 1 1 4 4 THR HA H 21 4.235 4.235 3.898 0.337 18107
4070 1 10 . 1 1 4 4 THR CA C 21 64.668 64.668 64.879 -0.211 18107
4071 1 10 . 1 1 4 4 THR CB C 21 68.923 68.923 67.594 1.329 18107
4072 1 10 . 1 1 4 4 THR H H 21 7.910 7.910 7.959 -0.049 18107
4073 1 10 . 1 1 5 5 GLN N N 22 122.037 122.037 121.172 0.865 18107
4074 1 10 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.859 0.192 18107
4075 1 10 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.654 -0.490 18107
4076 1 10 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.479 0.078 18107
4077 1 10 . 1 1 5 5 GLN H H 22 7.953 7.953 7.467 0.486 18107
4078 1 10 . 1 1 6 6 ARG N N 23 118.944 118.944 118.362 0.582 18107
4079 1 10 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.076 0.030 18107
4080 1 10 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.604 -0.512 18107
4081 1 10 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.354 -0.207 18107
4082 1 10 . 1 1 6 6 ARG H H 23 7.922 7.922 7.355 0.567 18107
4083 1 10 . 1 1 7 7 PHE N N 24 116.543 116.543 114.847 1.696 18107
4084 1 10 . 1 1 7 7 PHE H H 24 8.276 8.276 7.673 0.603 18107
4085 1 10 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.932 -0.437 18107
4086 1 10 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.390 2.630 18107
4087 1 10 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.366 -1.314 18107
4088 1 10 . 1 1 9 9 GLU N N 26 118.298 118.298 120.573 -2.275 18107
4089 1 10 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.190 -0.200 18107
4090 1 10 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.884 -0.506 18107
4091 1 10 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.277 0.035 18107
4092 1 10 . 1 1 9 9 GLU H H 26 8.148 8.148 8.321 -0.173 18107
4093 1 10 . 1 1 10 10 ILE N N 27 121.761 121.761 117.603 4.158 18107
4094 1 10 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.726 0.238 18107
4095 1 10 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.479 -2.016 18107
4096 1 10 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.963 -0.713 18107
4097 1 10 . 1 1 10 10 ILE H H 27 8.165 8.165 8.379 -0.214 18107
4098 1 10 . 1 1 11 11 GLU N N 28 122.042 122.042 120.346 1.696 18107
4099 1 10 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.969 -0.132 18107
4100 1 10 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.081 0.547 18107
4101 1 10 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.364 0.642 18107
4102 1 10 . 1 1 11 11 GLU H H 28 8.541 8.541 8.227 0.314 18107
4103 1 10 . 1 1 12 12 LYS N N 29 117.967 117.967 119.093 -1.126 18107
4104 1 10 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.049 -0.107 18107
4105 1 10 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.503 0.238 18107
4106 1 10 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.268 0.184 18107
4107 1 10 . 1 1 12 12 LYS H H 29 7.517 7.517 7.881 -0.364 18107
4108 1 10 . 1 1 13 13 PHE N N 30 122.144 122.144 120.225 1.919 18107
4109 1 10 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.290 0.139 18107
4110 1 10 . 1 1 13 13 PHE CA C 30 60.787 60.787 62.082 -1.295 18107
4111 1 10 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.851 0.360 18107
4112 1 10 . 1 1 13 13 PHE H H 30 8.066 8.066 8.036 0.030 18107
4113 1 10 . 1 1 14 14 LEU N N 31 119.404 119.404 118.780 0.624 18107
4114 1 10 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.906 -0.172 18107
4115 1 10 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.056 -0.292 18107
4116 1 10 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.423 0.013 18107
4117 1 10 . 1 1 14 14 LEU H H 31 8.739 8.739 8.302 0.437 18107
4118 1 10 . 1 1 15 15 LEU N N 32 121.073 121.073 118.325 2.748 18107
4119 1 10 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.209 -0.249 18107
4120 1 10 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.074 0.258 18107
4121 1 10 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.320 0.642 18107
4122 1 10 . 1 1 15 15 LEU H H 32 7.736 7.736 7.669 0.067 18107
4123 1 10 . 1 1 16 16 HIS N N 33 118.629 118.629 119.097 -0.468 18107
4124 1 10 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.343 0.003 18107
4125 1 10 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.232 1.413 18107
4126 1 10 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.781 0.520 18107
4127 1 10 . 1 1 16 16 HIS H H 33 7.681 7.681 8.253 -0.572 18107
4128 1 10 . 1 1 17 17 ILE N N 34 118.602 118.602 119.699 -1.097 18107
4129 1 10 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.538 0.267 18107
4130 1 10 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.122 -1.615 18107
4131 1 10 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.070 -0.625 18107
4132 1 10 . 1 1 17 17 ILE H H 34 8.502 8.502 8.712 -0.210 18107
4133 1 10 . 1 1 18 18 THR N N 35 117.776 117.776 116.055 1.721 18107
4134 1 10 . 1 1 18 18 THR HA H 35 4.116 4.116 3.874 0.242 18107
4135 1 10 . 1 1 18 18 THR CA C 35 68.694 68.694 67.447 1.247 18107
4136 1 10 . 1 1 18 18 THR CB C 35 68.694 68.694 68.704 -0.010 18107
4137 1 10 . 1 1 18 18 THR H H 35 7.726 7.726 7.835 -0.109 18107
4138 1 10 . 1 1 19 19 HIS N N 36 118.130 118.130 120.729 -2.599 18107
4139 1 10 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.256 0.145 18107
4140 1 10 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.799 -1.013 18107
4141 1 10 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.870 -0.800 18107
4142 1 10 . 1 1 19 19 HIS H H 36 7.177 7.177 7.983 -0.806 18107
4143 1 10 . 1 1 20 20 GLU N N 37 119.301 119.301 118.751 0.550 18107
4144 1 10 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.132 -0.082 18107
4145 1 10 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.460 0.097 18107
4146 1 10 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.581 0.475 18107
4147 1 10 . 1 1 20 20 GLU H H 37 7.335 7.335 7.944 -0.609 18107
4148 1 10 . 1 1 21 21 VAL N N 38 122.744 122.744 119.386 3.358 18107
4149 1 10 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.656 -0.234 18107
4150 1 10 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.877 0.172 18107
4151 1 10 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.632 -0.259 18107
4152 1 10 . 1 1 21 21 VAL H H 38 8.385 8.385 7.828 0.557 18107
4153 1 10 . 1 1 22 22 ASP N N 39 120.471 120.471 120.248 0.223 18107
4154 1 10 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.377 -0.230 18107
4155 1 10 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.450 0.277 18107
4156 1 10 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.215 0.172 18107
4157 1 10 . 1 1 22 22 ASP H H 39 8.054 8.054 7.735 0.319 18107
4158 1 10 . 1 1 23 23 ASP N N 40 118.541 118.541 120.342 -1.801 18107
4159 1 10 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.435 -0.015 18107
4160 1 10 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.808 -0.321 18107
4161 1 10 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.151 0.023 18107
4162 1 10 . 1 1 23 23 ASP H H 40 7.587 7.587 7.855 -0.268 18107
4163 1 10 . 1 1 24 24 LEU N N 41 123.241 123.241 116.893 6.348 18107
4164 1 10 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.170 -0.002 18107
4165 1 10 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.394 -0.687 18107
4166 1 10 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.019 0.890 18107
4167 1 10 . 1 1 24 24 LEU H H 41 8.032 8.032 8.297 -0.265 18107
4168 1 10 . 1 1 25 25 GLU N N 42 117.508 117.508 119.363 -1.855 18107
4169 1 10 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.025 -0.105 18107
4170 1 10 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.292 -0.210 18107
4171 1 10 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.802 0.061 18107
4172 1 10 . 1 1 25 25 GLU H H 42 8.010 8.010 8.190 -0.180 18107
4173 1 10 . 1 1 26 26 LYS N N 43 117.032 117.032 114.909 2.123 18107
4174 1 10 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.351 -0.108 18107
4175 1 10 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.575 0.676 18107
4176 1 10 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.606 0.901 18107
4177 1 10 . 1 1 26 26 LYS H H 43 7.596 7.596 7.711 -0.115 18107
4178 1 10 . 1 1 27 27 THR N N 44 110.288 110.288 112.763 -2.475 18107
4179 1 10 . 1 1 27 27 THR HA H 44 4.271 4.271 4.461 -0.190 18107
4180 1 10 . 1 1 27 27 THR CA C 44 62.820 62.820 63.299 -0.479 18107
4181 1 10 . 1 1 27 27 THR CB C 44 70.733 70.733 70.496 0.237 18107
4182 1 10 . 1 1 27 27 THR H H 44 8.227 8.227 7.728 0.499 18107
4183 1 10 . 1 1 28 28 GLY N N 45 112.257 112.257 107.953 4.304 18107
4184 1 10 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.791 0.870 18107
4185 1 10 . 1 1 28 28 GLY H H 45 8.727 8.727 8.200 0.527 18107
4186 1 10 . 1 1 29 29 ASN N N 46 118.416 118.416 118.419 -0.003 18107
4187 1 10 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.445 0.024 18107
4188 1 10 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.569 0.728 18107
4189 1 10 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.408 1.702 18107
4190 1 10 . 1 1 29 29 ASN H H 46 7.716 7.716 8.610 -0.894 18107
4191 1 10 . 1 1 30 30 LYS N N 47 126.481 126.481 118.789 7.692 18107
4192 1 10 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.171 -0.183 18107
4193 1 10 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.467 0.724 18107
4194 1 10 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.646 -0.133 18107
4195 1 10 . 1 1 30 30 LYS H H 47 8.770 8.770 8.337 0.433 18107
4196 1 10 . 1 1 31 31 ASP N N 48 121.710 121.710 114.573 7.137 18107
4197 1 10 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.752 -0.285 18107
4198 1 10 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.365 3.270 18107
4199 1 10 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.753 -1.309 18107
4200 1 10 . 1 1 31 31 ASP H H 48 8.229 8.229 8.179 0.050 18107
4201 1 10 . 1 1 32 32 GLU N N 49 121.695 121.695 121.415 0.280 18107
4202 1 10 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.099 0.258 18107
4203 1 10 . 1 1 32 32 GLU H H 49 8.048 8.048 8.675 -0.627 18107
4204 1 10 . 1 1 33 33 LYS N N 50 120.099 120.099 120.259 -0.160 18107
4205 1 10 . 1 1 33 33 LYS HA H 50 3.651 3.651 4.003 -0.352 18107
4206 1 10 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.480 1.357 18107
4207 1 10 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.876 1.091 18107
4208 1 10 . 1 1 33 33 LYS H H 50 7.975 7.975 8.108 -0.133 18107
4209 1 10 . 1 1 34 34 ALA N N 51 118.238 118.238 120.382 -2.144 18107
4210 1 10 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.124 -0.135 18107
4211 1 10 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.182 0.211 18107
4212 1 10 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.130 0.082 18107
4213 1 10 . 1 1 34 34 ALA H H 51 7.614 7.614 8.372 -0.758 18107
4214 1 10 . 1 1 35 35 ARG N N 52 120.311 120.311 119.030 1.281 18107
4215 1 10 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.076 1.815 18107
4216 1 10 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.030 1.020 18107
4217 1 10 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.035 0.376 18107
4218 1 10 . 1 1 35 35 ARG H H 52 7.883 7.883 8.033 -0.150 18107
4219 1 10 . 1 1 36 36 LEU N N 53 119.541 119.541 119.638 -0.097 18107
4220 1 10 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.146 -0.200 18107
4221 1 10 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.891 0.598 18107
4222 1 10 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.427 1.015 18107
4223 1 10 . 1 1 36 36 LEU H H 53 8.553 8.553 8.316 0.237 18107
4224 1 10 . 1 1 37 37 LEU N N 54 117.789 117.789 120.138 -2.349 18107
4225 1 10 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.835 0.230 18107
4226 1 10 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.061 0.581 18107
4227 1 10 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.430 -0.111 18107
4228 1 10 . 1 1 37 37 LEU H H 54 8.341 8.341 8.097 0.244 18107
4229 1 10 . 1 1 38 38 ARG N N 55 121.176 121.176 118.209 2.967 18107
4230 1 10 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.054 0.014 18107
4231 1 10 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.181 1.144 18107
4232 1 10 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.861 0.209 18107
4233 1 10 . 1 1 38 38 ARG H H 55 7.864 7.864 7.776 0.088 18107
4234 1 10 . 1 1 39 39 GLU N N 56 119.256 119.256 120.878 -1.622 18107
4235 1 10 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.144 -0.084 18107
4236 1 10 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.455 0.439 18107
4237 1 10 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.380 0.521 18107
4238 1 10 . 1 1 39 39 GLU H H 56 8.390 8.390 7.735 0.655 18107
4239 1 10 . 1 1 40 40 LEU N N 57 120.312 120.312 117.467 2.845 18107
4240 1 10 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.247 -0.119 18107
4241 1 10 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.369 0.252 18107
4242 1 10 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.279 0.950 18107
4243 1 10 . 1 1 40 40 LEU H H 57 8.802 8.802 7.968 0.834 18107
4244 1 10 . 1 1 41 41 THR N N 58 117.791 117.791 117.256 0.535 18107
4245 1 10 . 1 1 41 41 THR HA H 58 4.341 4.341 3.918 0.423 18107
4246 1 10 . 1 1 41 41 THR CA C 58 67.542 67.542 66.505 1.037 18107
4247 1 10 . 1 1 41 41 THR CB C 58 69.157 69.157 68.288 0.869 18107
4248 1 10 . 1 1 41 41 THR H H 58 8.182 8.182 7.857 0.325 18107
4249 1 10 . 1 1 42 42 VAL N N 59 123.554 123.554 120.747 2.807 18107
4250 1 10 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.545 0.178 18107
4251 1 10 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.698 0.157 18107
4252 1 10 . 1 1 42 42 VAL H H 59 7.978 7.978 8.412 -0.434 18107
4253 1 10 . 1 1 43 43 SER N N 60 116.859 116.859 115.127 1.732 18107
4254 1 10 . 1 1 43 43 SER HA H 60 4.155 4.155 2.068 2.087 18107
4255 1 10 . 1 1 43 43 SER CA C 60 63.412 63.412 60.962 2.450 18107
4256 1 10 . 1 1 43 43 SER H H 60 7.715 7.715 7.651 0.064 18107
4257 1 10 . 1 1 44 44 GLU N N 61 124.072 124.072 120.847 3.225 18107
4258 1 10 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.901 -0.275 18107
4259 1 10 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.113 1.389 18107
4260 1 10 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.591 0.203 18107
4261 1 10 . 1 1 44 44 GLU H H 61 8.517 8.517 8.086 0.431 18107
4262 1 10 . 1 1 45 45 ALA N N 62 120.467 120.467 121.957 -1.490 18107
4263 1 10 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.089 0.060 18107
4264 1 10 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.051 0.175 18107
4265 1 10 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.221 -0.376 18107
4266 1 10 . 1 1 45 45 ALA H H 62 7.853 7.853 7.614 0.239 18107
4267 1 10 . 1 1 46 46 PHE N N 63 119.936 119.936 116.930 3.006 18107
4268 1 10 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.305 -0.040 18107
4269 1 10 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.696 2.840 18107
4270 1 10 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.671 1.521 18107
4271 1 10 . 1 1 46 46 PHE H H 63 7.946 7.946 7.098 0.848 18107
4272 1 10 . 1 1 47 47 ILE N N 64 122.630 122.630 120.691 1.939 18107
4273 1 10 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.812 -0.192 18107
4274 1 10 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.424 1.933 18107
4275 1 10 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.033 1.348 18107
4276 1 10 . 1 1 47 47 ILE H H 64 8.595 8.595 8.273 0.322 18107
4277 1 10 . 1 1 48 48 GLU N N 65 120.257 120.257 119.405 0.852 18107
4278 1 10 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.966 0.623 18107
4279 1 10 . 1 1 48 48 GLU CA C 65 59.356 59.356 60.011 -0.655 18107
4280 1 10 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.537 0.064 18107
4281 1 10 . 1 1 48 48 GLU H H 65 9.078 9.078 8.230 0.848 18107
4282 1 10 . 1 1 49 49 GLY N N 66 108.368 108.368 107.262 1.106 18107
4283 1 10 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.715 0.438 18107
4284 1 10 . 1 1 49 49 GLY H H 66 8.379 8.379 8.584 -0.205 18107
4285 1 10 . 1 1 50 50 SER N N 67 119.358 119.358 117.628 1.730 18107
4286 1 10 . 1 1 50 50 SER HA H 67 3.988 3.988 4.112 -0.124 18107
4287 1 10 . 1 1 50 50 SER CA C 67 62.501 62.501 61.215 1.286 18107
4288 1 10 . 1 1 50 50 SER CB C 67 63.441 63.441 63.187 0.254 18107
4289 1 10 . 1 1 50 50 SER H H 67 7.694 7.694 8.122 -0.428 18107
4290 1 10 . 1 1 51 51 ARG N N 68 121.212 121.212 119.625 1.587 18107
4291 1 10 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.232 -0.324 18107
4292 1 10 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.854 2.187 18107
4293 1 10 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.590 1.167 18107
4294 1 10 . 1 1 51 51 ARG H H 68 8.684 8.684 8.104 0.580 18107
4295 1 10 . 1 1 52 52 GLY N N 69 124.556 124.556 107.133 17.423 18107
4296 1 10 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.654 0.609 18107
4297 1 10 . 1 1 52 52 GLY H H 69 8.068 8.068 8.311 -0.243 18107
4298 1 10 . 1 1 53 53 TYR N N 70 123.123 123.123 123.401 -0.278 18107
4299 1 10 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.125 -0.056 18107
4300 1 10 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.386 -0.566 18107
4301 1 10 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.477 -0.730 18107
4302 1 10 . 1 1 53 53 TYR H H 70 7.337 7.337 7.602 -0.265 18107
4303 1 10 . 1 1 54 54 PHE N N 71 117.809 117.809 117.896 -0.087 18107
4304 1 10 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.894 -0.227 18107
4305 1 10 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.741 -0.252 18107
4306 1 10 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.879 0.870 18107
4307 1 10 . 1 1 54 54 PHE H H 71 7.965 7.965 7.581 0.384 18107
4308 1 10 . 1 1 55 55 GLN N N 72 115.519 115.519 118.359 -2.840 18107
4309 1 10 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.033 -0.175 18107
4310 1 10 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.298 0.310 18107
4311 1 10 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.573 0.423 18107
4312 1 10 . 1 1 55 55 GLN H H 72 8.522 8.522 7.899 0.623 18107
4313 1 10 . 1 1 56 56 ARG N N 73 118.947 118.947 118.475 0.472 18107
4314 1 10 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.032 -0.160 18107
4315 1 10 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.959 0.962 18107
4316 1 10 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.958 0.128 18107
4317 1 10 . 1 1 56 56 ARG H H 73 7.677 7.677 7.544 0.133 18107
4318 1 10 . 1 1 57 57 GLU N N 74 121.204 121.204 120.776 0.428 18107
4319 1 10 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.940 -0.258 18107
4320 1 10 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.155 -0.221 18107
4321 1 10 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.969 0.724 18107
4322 1 10 . 1 1 57 57 GLU H H 74 7.897 7.897 8.222 -0.325 18107
4323 1 10 . 1 1 58 58 LEU N N 75 115.348 115.348 119.195 -3.847 18107
4324 1 10 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.135 -0.075 18107
4325 1 10 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.535 -0.641 18107
4326 1 10 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.089 0.241 18107
4327 1 10 . 1 1 58 58 LEU H H 75 7.746 7.746 7.706 0.040 18107
4328 1 10 . 1 1 59 59 LYS N N 76 117.429 117.429 116.079 1.350 18107
4329 1 10 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.311 -0.111 18107
4330 1 10 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.701 -0.093 18107
4331 1 10 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.332 0.551 18107
4332 1 10 . 1 1 59 59 LYS H H 76 7.233 7.233 7.713 -0.480 18107
4333 1 10 . 1 1 60 60 ARG N N 77 120.555 120.555 121.039 -0.484 18107
4334 1 10 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.089 0.037 18107
4335 1 10 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.716 -1.017 18107
4336 1 10 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.481 1.317 18107
4337 1 10 . 1 1 60 60 ARG H H 77 7.701 7.701 8.006 -0.305 18107
4338 1 10 . 1 1 61 61 THR N N 78 111.768 111.768 107.604 4.164 18107
4339 1 10 . 1 1 61 61 THR HA H 78 4.414 4.414 4.080 0.334 18107
4340 1 10 . 1 1 61 61 THR CA C 78 62.557 62.557 64.276 -1.719 18107
4341 1 10 . 1 1 61 61 THR CB C 78 69.221 69.221 67.699 1.522 18107
4342 1 10 . 1 1 61 61 THR H H 78 8.638 8.638 8.208 0.430 18107
4343 1 10 . 1 1 62 62 ASP N N 79 120.616 120.616 120.237 0.379 18107
4344 1 10 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.840 -0.208 18107
4345 1 10 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.505 -1.543 18107
4346 1 10 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.545 -1.299 18107
4347 1 10 . 1 1 62 62 ASP H H 79 8.465 8.465 8.598 -0.133 18107
4348 1 10 . 1 1 63 63 LEU N N 80 120.063 120.063 117.691 2.372 18107
4349 1 10 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.767 -0.522 18107
4350 1 10 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.873 1.339 18107
4351 1 10 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.503 -1.708 18107
4352 1 10 . 1 1 63 63 LEU H H 80 7.157 7.157 7.555 -0.398 18107
4353 1 10 . 1 1 64 64 ASP N N 81 125.396 125.396 122.157 3.239 18107
4354 1 10 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.929 -0.360 18107
4355 1 10 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.093 0.884 18107
4356 1 10 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.262 -0.462 18107
4357 1 10 . 1 1 64 64 ASP H H 81 8.926 8.926 8.237 0.689 18107
4358 1 10 . 1 1 65 65 LEU N N 82 122.508 122.508 118.964 3.544 18107
4359 1 10 . 1 1 65 65 LEU HA H 82 3.838 3.838 3.924 -0.086 18107
4360 1 10 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.885 0.936 18107
4361 1 10 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.206 0.988 18107
4362 1 10 . 1 1 65 65 LEU H H 82 8.281 8.281 8.226 0.055 18107
4363 1 10 . 1 1 66 66 LEU N N 83 119.413 119.413 119.754 -0.341 18107
4364 1 10 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.251 -0.179 18107
4365 1 10 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.529 -0.501 18107
4366 1 10 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.770 0.581 18107
4367 1 10 . 1 1 66 66 LEU H H 83 8.149 8.149 7.846 0.303 18107
4368 1 10 . 1 1 67 67 GLU N N 84 119.941 119.941 118.163 1.778 18107
4369 1 10 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.779 0.067 18107
4370 1 10 . 1 1 67 67 GLU CA C 84 58.523 58.523 58.849 -0.326 18107
4371 1 10 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.739 1.473 18107
4372 1 10 . 1 1 67 67 GLU H H 84 7.725 7.725 8.390 -0.665 18107
4373 1 10 . 1 1 68 68 LYS N N 85 119.400 119.400 119.875 -0.475 18107
4374 1 10 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.814 -0.013 18107
4375 1 10 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.129 1.691 18107
4376 1 10 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.059 0.856 18107
4377 1 10 . 1 1 68 68 LYS H H 85 8.117 8.117 8.147 -0.030 18107
4378 1 10 . 1 1 69 69 PHE N N 86 117.969 117.969 118.417 -0.448 18107
4379 1 10 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.178 0.111 18107
4380 1 10 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.351 0.518 18107
4381 1 10 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.443 0.312 18107
4382 1 10 . 1 1 69 69 PHE H H 86 7.975 7.975 8.186 -0.211 18107
4383 1 10 . 1 1 70 70 ASN N N 87 118.904 118.904 118.529 0.375 18107
4384 1 10 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.401 -0.040 18107
4385 1 10 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.727 -0.459 18107
4386 1 10 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.670 -0.572 18107
4387 1 10 . 1 1 70 70 ASN H H 87 8.259 8.259 7.266 0.993 18107
4388 1 10 . 1 1 71 71 PHE N N 88 121.068 121.068 118.512 2.556 18107
4389 1 10 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.288 0.978 18107
4390 1 10 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.470 1.317 18107
4391 1 10 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.057 0.973 18107
4392 1 10 . 1 1 71 71 PHE H H 88 8.618 8.618 7.370 1.248 18107
4393 1 10 . 1 1 72 72 GLU N N 89 120.500 120.500 119.773 0.727 18107
4394 1 10 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.995 -0.142 18107
4395 1 10 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.104 1.393 18107
4396 1 10 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.243 0.268 18107
4397 1 10 . 1 1 72 72 GLU H H 89 8.709 8.709 8.754 -0.045 18107
4398 1 10 . 1 1 73 73 ALA N N 90 123.117 123.117 122.312 0.805 18107
4399 1 10 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.197 -0.159 18107
4400 1 10 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.854 0.147 18107
4401 1 10 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.161 -0.213 18107
4402 1 10 . 1 1 73 73 ALA H H 90 8.158 8.158 8.004 0.154 18107
4403 1 10 . 1 1 74 74 ALA N N 91 122.919 122.919 121.475 1.444 18107
4404 1 10 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.304 -0.353 18107
4405 1 10 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.478 0.801 18107
4406 1 10 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.509 -0.843 18107
4407 1 10 . 1 1 74 74 ALA H H 91 7.841 7.841 8.181 -0.340 18107
4408 1 10 . 1 1 75 75 LEU N N 92 119.956 119.956 119.660 0.296 18107
4409 1 10 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.244 -0.197 18107
4410 1 10 . 1 1 75 75 LEU CA C 92 58.459 58.459 57.854 0.605 18107
4411 1 10 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.785 0.374 18107
4412 1 10 . 1 1 75 75 LEU H H 92 8.091 8.091 8.472 -0.381 18107
4413 1 10 . 1 1 76 76 ALA N N 93 120.763 120.763 121.171 -0.408 18107
4414 1 10 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.127 0.003 18107
4415 1 10 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.308 0.096 18107
4416 1 10 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.217 -0.347 18107
4417 1 10 . 1 1 76 76 ALA H H 93 7.774 7.774 7.895 -0.121 18107
4418 1 10 . 1 1 77 77 THR N N 94 117.510 117.510 115.800 1.710 18107
4419 1 10 . 1 1 77 77 THR HA H 94 4.234 4.234 4.020 0.214 18107
4420 1 10 . 1 1 77 77 THR CA C 94 67.364 67.364 67.270 0.094 18107
4421 1 10 . 1 1 77 77 THR CB C 94 68.779 68.779 68.960 -0.181 18107
4422 1 10 . 1 1 77 77 THR H H 94 8.188 8.188 7.806 0.382 18107
4423 1 10 . 1 1 78 78 GLY N N 95 110.009 110.009 109.294 0.715 18107
4424 1 10 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.552 1.598 18107
4425 1 10 . 1 1 78 78 GLY H H 95 8.547 8.547 8.767 -0.220 18107
4426 1 10 . 1 1 79 79 ASP N N 96 121.634 121.634 123.002 -1.368 18107
4427 1 10 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.398 -0.130 18107
4428 1 10 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.788 0.148 18107
4429 1 10 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.663 -0.023 18107
4430 1 10 . 1 1 79 79 ASP H H 96 8.548 8.548 8.232 0.316 18107
4431 1 10 . 1 1 80 80 LEU N N 97 122.599 122.599 119.486 3.113 18107
4432 1 10 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.242 -0.234 18107
4433 1 10 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.413 0.029 18107
4434 1 10 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.876 0.053 18107
4435 1 10 . 1 1 80 80 LEU H H 97 7.618 7.618 7.665 -0.047 18107
4436 1 10 . 1 1 81 81 LEU N N 98 119.913 119.913 117.258 2.655 18107
4437 1 10 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.178 -0.147 18107
4438 1 10 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.866 -0.058 18107
4439 1 10 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.260 1.101 18107
4440 1 10 . 1 1 81 81 LEU H H 98 8.224 8.224 7.632 0.592 18107
4441 1 10 . 1 1 82 82 LEU N N 99 118.616 118.616 121.119 -2.503 18107
4442 1 10 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.853 0.122 18107
4443 1 10 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.048 0.021 18107
4444 1 10 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.662 0.503 18107
4445 1 10 . 1 1 82 82 LEU H H 99 8.359 8.359 8.564 -0.205 18107
4446 1 10 . 1 1 83 83 LYS N N 100 118.988 118.988 119.175 -0.187 18107
4447 1 10 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.971 -0.087 18107
4448 1 10 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.737 0.530 18107
4449 1 10 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.016 0.155 18107
4450 1 10 . 1 1 83 83 LYS H H 100 7.566 7.566 7.883 -0.317 18107
4451 1 10 . 1 1 84 84 ASP N N 101 121.591 121.591 120.856 0.735 18107
4452 1 10 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.506 -0.109 18107
4453 1 10 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.876 0.820 18107
4454 1 10 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.793 -0.388 18107
4455 1 10 . 1 1 84 84 ASP H H 101 7.743 7.743 7.897 -0.154 18107
4456 1 10 . 1 1 85 85 LEU N N 102 123.215 123.215 120.736 2.479 18107
4457 1 10 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.888 -0.038 18107
4458 1 10 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.685 1.156 18107
4459 1 10 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.938 0.633 18107
4460 1 10 . 1 1 85 85 LEU H H 102 8.760 8.760 8.358 0.402 18107
4461 1 10 . 1 1 86 86 LYS N N 103 119.648 119.648 118.449 1.199 18107
4462 1 10 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.964 0.104 18107
4463 1 10 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.732 -0.940 18107
4464 1 10 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.904 -0.772 18107
4465 1 10 . 1 1 86 86 LYS H H 103 8.883 8.883 7.784 1.099 18107
4466 1 10 . 1 1 87 87 ALA N N 104 122.844 122.844 121.776 1.068 18107
4467 1 10 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.235 -0.075 18107
4468 1 10 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.818 0.482 18107
4469 1 10 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.409 -0.389 18107
4470 1 10 . 1 1 87 87 ALA H H 104 7.721 7.721 7.644 0.077 18107
4471 1 10 . 1 1 88 88 LEU N N 105 120.380 120.380 118.747 1.633 18107
4472 1 10 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.063 -0.071 18107
4473 1 10 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.038 0.148 18107
4474 1 10 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.259 1.545 18107
4475 1 10 . 1 1 88 88 LEU H H 105 7.762 7.762 8.326 -0.564 18107
4476 1 10 . 1 1 89 89 GLN N N 106 118.781 118.781 119.311 -0.530 18107
4477 1 10 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.885 -0.300 18107
4478 1 10 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.432 0.545 18107
4479 1 10 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.536 1.091 18107
4480 1 10 . 1 1 89 89 GLN H H 106 8.658 8.658 8.294 0.364 18107
4481 1 10 . 1 1 90 90 LYS N N 107 118.977 118.977 119.057 -0.080 18107
4482 1 10 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.091 -0.143 18107
4483 1 10 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.431 1.064 18107
4484 1 10 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.744 0.679 18107
4485 1 10 . 1 1 90 90 LYS H H 107 7.786 7.786 7.686 0.100 18107
4486 1 10 . 1 1 91 91 ARG N N 108 117.470 117.470 120.063 -2.593 18107
4487 1 10 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.082 -0.079 18107
4488 1 10 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.487 0.095 18107
4489 1 10 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.267 1.361 18107
4490 1 10 . 1 1 91 91 ARG H H 108 7.469 7.469 7.640 -0.171 18107
4491 1 10 . 1 1 92 92 VAL N N 109 117.865 117.865 120.351 -2.486 18107
4492 1 10 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.740 -0.258 18107
4493 1 10 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.098 0.513 18107
4494 1 10 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.189 1.022 18107
4495 1 10 . 1 1 92 92 VAL H H 109 8.084 8.084 8.611 -0.527 18107
4496 1 10 . 1 1 93 93 GLN N N 110 119.617 119.617 118.675 0.942 18107
4497 1 10 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.064 -0.188 18107
4498 1 10 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.756 0.478 18107
4499 1 10 . 1 1 93 93 GLN CB C 110 29.024 29.024 27.989 1.035 18107
4500 1 10 . 1 1 93 93 GLN H H 110 8.512 8.512 8.624 -0.112 18107
4501 1 10 . 1 1 94 94 ASP N N 111 117.490 117.490 121.007 -3.517 18107
4502 1 10 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.451 0.040 18107
4503 1 10 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.736 -1.454 18107
4504 1 10 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.596 0.239 18107
4505 1 10 . 1 1 94 94 ASP H H 111 8.194 8.194 8.315 -0.121 18107
4506 1 10 . 1 1 95 95 SER N N 112 116.625 116.625 113.363 3.262 18107
4507 1 10 . 1 1 95 95 SER HA H 112 4.288 4.288 4.141 0.147 18107
4508 1 10 . 1 1 95 95 SER CA C 112 59.770 59.770 60.775 -1.005 18107
4509 1 10 . 1 1 95 95 SER CB C 112 63.990 63.990 63.490 0.500 18107
4510 1 10 . 1 1 95 95 SER H H 112 7.479 7.479 7.828 -0.349 18107
4511 1 11 . 1 1 2 2 THR HA H 19 4.222 4.222 4.245 -0.023 18107
4512 1 11 . 1 1 2 2 THR CA C 19 63.013 63.013 64.827 -1.814 18107
4513 1 11 . 1 1 2 2 THR CB C 19 69.504 69.504 68.612 0.892 18107
4514 1 11 . 1 1 3 3 ALA N N 20 125.065 125.065 124.051 1.014 18107
4515 1 11 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.919 0.231 18107
4516 1 11 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.205 -0.249 18107
4517 1 11 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.856 1.141 18107
4518 1 11 . 1 1 3 3 ALA H H 20 8.404 8.404 8.657 -0.253 18107
4519 1 11 . 1 1 4 4 THR N N 21 109.840 109.840 111.133 -1.293 18107
4520 1 11 . 1 1 4 4 THR HA H 21 4.235 4.235 4.020 0.215 18107
4521 1 11 . 1 1 4 4 THR CA C 21 64.668 64.668 64.835 -0.167 18107
4522 1 11 . 1 1 4 4 THR CB C 21 68.923 68.923 67.598 1.325 18107
4523 1 11 . 1 1 4 4 THR H H 21 7.910 7.910 7.980 -0.070 18107
4524 1 11 . 1 1 5 5 GLN N N 22 122.037 122.037 120.208 1.829 18107
4525 1 11 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.919 0.132 18107
4526 1 11 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.839 -0.675 18107
4527 1 11 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.544 0.013 18107
4528 1 11 . 1 1 5 5 GLN H H 22 7.953 7.953 7.554 0.399 18107
4529 1 11 . 1 1 6 6 ARG N N 23 118.944 118.944 119.599 -0.655 18107
4530 1 11 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.079 0.027 18107
4531 1 11 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.650 -0.558 18107
4532 1 11 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.428 -0.281 18107
4533 1 11 . 1 1 6 6 ARG H H 23 7.922 7.922 7.552 0.370 18107
4534 1 11 . 1 1 7 7 PHE N N 24 116.543 116.543 114.281 2.262 18107
4535 1 11 . 1 1 7 7 PHE H H 24 8.276 8.276 7.634 0.642 18107
4536 1 11 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.653 -0.158 18107
4537 1 11 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.708 1.312 18107
4538 1 11 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.893 -0.841 18107
4539 1 11 . 1 1 9 9 GLU N N 26 118.298 118.298 120.202 -1.904 18107
4540 1 11 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.097 -0.107 18107
4541 1 11 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.894 -0.516 18107
4542 1 11 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.364 -0.052 18107
4543 1 11 . 1 1 9 9 GLU H H 26 8.148 8.148 8.619 -0.471 18107
4544 1 11 . 1 1 10 10 ILE N N 27 121.761 121.761 116.817 4.944 18107
4545 1 11 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.768 0.196 18107
4546 1 11 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.502 -1.039 18107
4547 1 11 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.803 -0.553 18107
4548 1 11 . 1 1 10 10 ILE H H 27 8.165 8.165 8.106 0.059 18107
4549 1 11 . 1 1 11 11 GLU N N 28 122.042 122.042 120.842 1.200 18107
4550 1 11 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.993 -0.156 18107
4551 1 11 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.148 0.480 18107
4552 1 11 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.349 0.657 18107
4553 1 11 . 1 1 11 11 GLU H H 28 8.541 8.541 7.930 0.611 18107
4554 1 11 . 1 1 12 12 LYS N N 29 117.967 117.967 118.953 -0.986 18107
4555 1 11 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.072 -0.130 18107
4556 1 11 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.407 0.334 18107
4557 1 11 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.352 0.099 18107
4558 1 11 . 1 1 12 12 LYS H H 29 7.517 7.517 7.958 -0.441 18107
4559 1 11 . 1 1 13 13 PHE N N 30 122.144 122.144 119.701 2.443 18107
4560 1 11 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.266 0.163 18107
4561 1 11 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.612 -0.825 18107
4562 1 11 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.707 0.504 18107
4563 1 11 . 1 1 13 13 PHE H H 30 8.066 8.066 8.020 0.046 18107
4564 1 11 . 1 1 14 14 LEU N N 31 119.404 119.404 118.184 1.220 18107
4565 1 11 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.096 -0.362 18107
4566 1 11 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.672 -0.908 18107
4567 1 11 . 1 1 14 14 LEU CB C 31 41.436 41.436 40.759 0.677 18107
4568 1 11 . 1 1 14 14 LEU H H 31 8.739 8.739 8.423 0.316 18107
4569 1 11 . 1 1 15 15 LEU N N 32 121.073 121.073 115.984 5.089 18107
4570 1 11 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.239 -0.279 18107
4571 1 11 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.023 0.309 18107
4572 1 11 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.733 1.229 18107
4573 1 11 . 1 1 15 15 LEU H H 32 7.736 7.736 7.734 0.002 18107
4574 1 11 . 1 1 16 16 HIS N N 33 118.629 118.629 119.072 -0.443 18107
4575 1 11 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.322 0.024 18107
4576 1 11 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.257 -0.612 18107
4577 1 11 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.843 -0.542 18107
4578 1 11 . 1 1 16 16 HIS H H 33 7.681 7.681 8.482 -0.801 18107
4579 1 11 . 1 1 17 17 ILE N N 34 118.602 118.602 119.754 -1.152 18107
4580 1 11 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.822 -0.017 18107
4581 1 11 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.856 -1.349 18107
4582 1 11 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.106 -0.661 18107
4583 1 11 . 1 1 17 17 ILE H H 34 8.502 8.502 8.733 -0.231 18107
4584 1 11 . 1 1 18 18 THR N N 35 117.776 117.776 116.456 1.320 18107
4585 1 11 . 1 1 18 18 THR HA H 35 4.116 4.116 3.930 0.186 18107
4586 1 11 . 1 1 18 18 THR CA C 35 68.694 68.694 67.902 0.792 18107
4587 1 11 . 1 1 18 18 THR CB C 35 68.694 68.694 68.592 0.102 18107
4588 1 11 . 1 1 18 18 THR H H 35 7.726 7.726 7.879 -0.153 18107
4589 1 11 . 1 1 19 19 HIS N N 36 118.130 118.130 120.197 -2.067 18107
4590 1 11 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.214 0.187 18107
4591 1 11 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.695 -0.909 18107
4592 1 11 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.712 -0.642 18107
4593 1 11 . 1 1 19 19 HIS H H 36 7.177 7.177 7.831 -0.654 18107
4594 1 11 . 1 1 20 20 GLU N N 37 119.301 119.301 118.764 0.537 18107
4595 1 11 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.047 0.003 18107
4596 1 11 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.209 0.348 18107
4597 1 11 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.544 0.512 18107
4598 1 11 . 1 1 20 20 GLU H H 37 7.335 7.335 7.798 -0.463 18107
4599 1 11 . 1 1 21 21 VAL N N 38 122.744 122.744 119.765 2.979 18107
4600 1 11 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.661 -0.239 18107
4601 1 11 . 1 1 21 21 VAL CA C 38 67.049 67.049 65.560 1.489 18107
4602 1 11 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.063 0.310 18107
4603 1 11 . 1 1 21 21 VAL H H 38 8.385 8.385 7.727 0.658 18107
4604 1 11 . 1 1 22 22 ASP N N 39 120.471 120.471 120.211 0.260 18107
4605 1 11 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.310 -0.163 18107
4606 1 11 . 1 1 22 22 ASP CA C 39 57.726 57.726 58.082 -0.356 18107
4607 1 11 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.603 -0.216 18107
4608 1 11 . 1 1 22 22 ASP H H 39 8.054 8.054 7.668 0.387 18107
4609 1 11 . 1 1 23 23 ASP N N 40 118.541 118.541 119.850 -1.309 18107
4610 1 11 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.333 0.087 18107
4611 1 11 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.473 0.014 18107
4612 1 11 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.142 0.032 18107
4613 1 11 . 1 1 23 23 ASP H H 40 7.587 7.587 7.632 -0.045 18107
4614 1 11 . 1 1 24 24 LEU N N 41 123.241 123.241 116.591 6.650 18107
4615 1 11 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.131 0.037 18107
4616 1 11 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.123 -0.416 18107
4617 1 11 . 1 1 24 24 LEU CB C 41 41.909 41.909 40.825 1.084 18107
4618 1 11 . 1 1 24 24 LEU H H 41 8.032 8.032 8.345 -0.313 18107
4619 1 11 . 1 1 25 25 GLU N N 42 117.508 117.508 119.582 -2.074 18107
4620 1 11 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.015 -0.095 18107
4621 1 11 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.161 -0.079 18107
4622 1 11 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.470 0.393 18107
4623 1 11 . 1 1 25 25 GLU H H 42 8.010 8.010 8.208 -0.198 18107
4624 1 11 . 1 1 26 26 LYS N N 43 117.032 117.032 115.152 1.880 18107
4625 1 11 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.399 -0.156 18107
4626 1 11 . 1 1 26 26 LYS CA C 43 58.251 58.251 56.267 1.984 18107
4627 1 11 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.522 0.985 18107
4628 1 11 . 1 1 26 26 LYS H H 43 7.596 7.596 7.631 -0.035 18107
4629 1 11 . 1 1 27 27 THR N N 44 110.288 110.288 111.950 -1.662 18107
4630 1 11 . 1 1 27 27 THR HA H 44 4.271 4.271 4.401 -0.130 18107
4631 1 11 . 1 1 27 27 THR CA C 44 62.820 62.820 63.384 -0.564 18107
4632 1 11 . 1 1 27 27 THR CB C 44 70.733 70.733 70.627 0.106 18107
4633 1 11 . 1 1 27 27 THR H H 44 8.227 8.227 7.599 0.628 18107
4634 1 11 . 1 1 28 28 GLY N N 45 112.257 112.257 109.078 3.179 18107
4635 1 11 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.709 0.952 18107
4636 1 11 . 1 1 28 28 GLY H H 45 8.727 8.727 8.244 0.483 18107
4637 1 11 . 1 1 29 29 ASN N N 46 118.416 118.416 118.223 0.193 18107
4638 1 11 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.317 0.152 18107
4639 1 11 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.673 0.624 18107
4640 1 11 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.694 2.416 18107
4641 1 11 . 1 1 29 29 ASN H H 46 7.716 7.716 8.116 -0.400 18107
4642 1 11 . 1 1 30 30 LYS N N 47 126.481 126.481 118.708 7.773 18107
4643 1 11 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.064 -0.076 18107
4644 1 11 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.388 0.803 18107
4645 1 11 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.560 -0.047 18107
4646 1 11 . 1 1 30 30 LYS H H 47 8.770 8.770 8.534 0.236 18107
4647 1 11 . 1 1 31 31 ASP N N 48 121.710 121.710 114.872 6.838 18107
4648 1 11 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.810 -0.343 18107
4649 1 11 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.120 3.515 18107
4650 1 11 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.169 -0.725 18107
4651 1 11 . 1 1 31 31 ASP H H 48 8.229 8.229 8.166 0.063 18107
4652 1 11 . 1 1 32 32 GLU N N 49 121.695 121.695 120.384 1.311 18107
4653 1 11 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.167 0.190 18107
4654 1 11 . 1 1 32 32 GLU H H 49 8.048 8.048 8.733 -0.685 18107
4655 1 11 . 1 1 33 33 LYS N N 50 120.099 120.099 120.096 0.003 18107
4656 1 11 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.940 -0.289 18107
4657 1 11 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.585 0.252 18107
4658 1 11 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.733 1.234 18107
4659 1 11 . 1 1 33 33 LYS H H 50 7.975 7.975 8.516 -0.541 18107
4660 1 11 . 1 1 34 34 ALA N N 51 118.238 118.238 120.195 -1.957 18107
4661 1 11 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.996 -0.007 18107
4662 1 11 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.159 0.234 18107
4663 1 11 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.305 -0.093 18107
4664 1 11 . 1 1 34 34 ALA H H 51 7.614 7.614 8.350 -0.736 18107
4665 1 11 . 1 1 35 35 ARG N N 52 120.311 120.311 119.684 0.627 18107
4666 1 11 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.135 1.756 18107
4667 1 11 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.372 1.678 18107
4668 1 11 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.107 0.304 18107
4669 1 11 . 1 1 35 35 ARG H H 52 7.883 7.883 7.720 0.163 18107
4670 1 11 . 1 1 36 36 LEU N N 53 119.541 119.541 119.428 0.113 18107
4671 1 11 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.191 -0.245 18107
4672 1 11 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.230 0.259 18107
4673 1 11 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.254 1.188 18107
4674 1 11 . 1 1 36 36 LEU H H 53 8.553 8.553 8.549 0.004 18107
4675 1 11 . 1 1 37 37 LEU N N 54 117.789 117.789 120.507 -2.718 18107
4676 1 11 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.878 0.187 18107
4677 1 11 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.179 0.463 18107
4678 1 11 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.436 -0.117 18107
4679 1 11 . 1 1 37 37 LEU H H 54 8.341 8.341 8.390 -0.049 18107
4680 1 11 . 1 1 38 38 ARG N N 55 121.176 121.176 118.009 3.167 18107
4681 1 11 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.073 -0.005 18107
4682 1 11 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.176 1.149 18107
4683 1 11 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.809 0.261 18107
4684 1 11 . 1 1 38 38 ARG H H 55 7.864 7.864 7.813 0.051 18107
4685 1 11 . 1 1 39 39 GLU N N 56 119.256 119.256 120.775 -1.519 18107
4686 1 11 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.132 -0.072 18107
4687 1 11 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.862 0.032 18107
4688 1 11 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.607 0.294 18107
4689 1 11 . 1 1 39 39 GLU H H 56 8.390 8.390 7.741 0.649 18107
4690 1 11 . 1 1 40 40 LEU N N 57 120.312 120.312 117.531 2.781 18107
4691 1 11 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.256 -0.128 18107
4692 1 11 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.417 0.204 18107
4693 1 11 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.419 0.810 18107
4694 1 11 . 1 1 40 40 LEU H H 57 8.802 8.802 8.288 0.514 18107
4695 1 11 . 1 1 41 41 THR N N 58 117.791 117.791 117.331 0.460 18107
4696 1 11 . 1 1 41 41 THR HA H 58 4.341 4.341 3.897 0.444 18107
4697 1 11 . 1 1 41 41 THR CA C 58 67.542 67.542 66.905 0.637 18107
4698 1 11 . 1 1 41 41 THR CB C 58 69.157 69.157 68.516 0.641 18107
4699 1 11 . 1 1 41 41 THR H H 58 8.182 8.182 7.879 0.303 18107
4700 1 11 . 1 1 42 42 VAL N N 59 123.554 123.554 120.909 2.645 18107
4701 1 11 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.590 0.133 18107
4702 1 11 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.751 0.104 18107
4703 1 11 . 1 1 42 42 VAL H H 59 7.978 7.978 8.458 -0.480 18107
4704 1 11 . 1 1 43 43 SER N N 60 116.859 116.859 114.386 2.473 18107
4705 1 11 . 1 1 43 43 SER HA H 60 4.155 4.155 1.053 3.102 18107
4706 1 11 . 1 1 43 43 SER CA C 60 63.412 63.412 60.800 2.612 18107
4707 1 11 . 1 1 43 43 SER H H 60 7.715 7.715 7.564 0.151 18107
4708 1 11 . 1 1 44 44 GLU N N 61 124.072 124.072 120.682 3.390 18107
4709 1 11 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.763 -0.137 18107
4710 1 11 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.176 1.326 18107
4711 1 11 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.646 0.148 18107
4712 1 11 . 1 1 44 44 GLU H H 61 8.517 8.517 8.134 0.383 18107
4713 1 11 . 1 1 45 45 ALA N N 62 120.467 120.467 121.823 -1.356 18107
4714 1 11 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.093 0.056 18107
4715 1 11 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.019 0.207 18107
4716 1 11 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.160 -0.315 18107
4717 1 11 . 1 1 45 45 ALA H H 62 7.853 7.853 7.628 0.225 18107
4718 1 11 . 1 1 46 46 PHE N N 63 119.936 119.936 117.985 1.951 18107
4719 1 11 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.174 0.091 18107
4720 1 11 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.936 2.600 18107
4721 1 11 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.402 1.790 18107
4722 1 11 . 1 1 46 46 PHE H H 63 7.946 7.946 7.233 0.713 18107
4723 1 11 . 1 1 47 47 ILE N N 64 122.630 122.630 119.725 2.905 18107
4724 1 11 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.423 0.197 18107
4725 1 11 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.491 1.867 18107
4726 1 11 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.330 2.051 18107
4727 1 11 . 1 1 47 47 ILE H H 64 8.595 8.595 7.879 0.716 18107
4728 1 11 . 1 1 48 48 GLU N N 65 120.257 120.257 119.311 0.946 18107
4729 1 11 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.003 0.586 18107
4730 1 11 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.862 -0.506 18107
4731 1 11 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.259 0.342 18107
4732 1 11 . 1 1 48 48 GLU H H 65 9.078 9.078 7.965 1.113 18107
4733 1 11 . 1 1 49 49 GLY N N 66 108.368 108.368 107.380 0.988 18107
4734 1 11 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.801 0.352 18107
4735 1 11 . 1 1 49 49 GLY H H 66 8.379 8.379 8.558 -0.179 18107
4736 1 11 . 1 1 50 50 SER N N 67 119.358 119.358 118.575 0.783 18107
4737 1 11 . 1 1 50 50 SER HA H 67 3.988 3.988 4.089 -0.101 18107
4738 1 11 . 1 1 50 50 SER CA C 67 62.501 62.501 61.867 0.634 18107
4739 1 11 . 1 1 50 50 SER CB C 67 63.441 63.441 63.023 0.418 18107
4740 1 11 . 1 1 50 50 SER H H 67 7.694 7.694 8.282 -0.588 18107
4741 1 11 . 1 1 51 51 ARG N N 68 121.212 121.212 120.687 0.525 18107
4742 1 11 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.194 -0.286 18107
4743 1 11 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.027 2.014 18107
4744 1 11 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.491 1.266 18107
4745 1 11 . 1 1 51 51 ARG H H 68 8.684 8.684 8.493 0.191 18107
4746 1 11 . 1 1 52 52 GLY N N 69 124.556 124.556 107.124 17.432 18107
4747 1 11 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.620 0.643 18107
4748 1 11 . 1 1 52 52 GLY H H 69 8.068 8.068 8.196 -0.128 18107
4749 1 11 . 1 1 53 53 TYR N N 70 123.123 123.123 123.463 -0.340 18107
4750 1 11 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.118 -0.049 18107
4751 1 11 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.537 -0.717 18107
4752 1 11 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.512 -0.765 18107
4753 1 11 . 1 1 53 53 TYR H H 70 7.337 7.337 7.483 -0.146 18107
4754 1 11 . 1 1 54 54 PHE N N 71 117.809 117.809 117.903 -0.094 18107
4755 1 11 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.936 -0.269 18107
4756 1 11 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.502 -0.013 18107
4757 1 11 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.941 0.808 18107
4758 1 11 . 1 1 54 54 PHE H H 71 7.965 7.965 7.534 0.431 18107
4759 1 11 . 1 1 55 55 GLN N N 72 115.519 115.519 117.931 -2.412 18107
4760 1 11 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.053 -0.195 18107
4761 1 11 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.658 0.950 18107
4762 1 11 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.159 0.837 18107
4763 1 11 . 1 1 55 55 GLN H H 72 8.522 8.522 7.940 0.582 18107
4764 1 11 . 1 1 56 56 ARG N N 73 118.947 118.947 118.845 0.102 18107
4765 1 11 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.044 -0.172 18107
4766 1 11 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.880 1.041 18107
4767 1 11 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.956 0.130 18107
4768 1 11 . 1 1 56 56 ARG H H 73 7.677 7.677 7.668 0.009 18107
4769 1 11 . 1 1 57 57 GLU N N 74 121.204 121.204 120.623 0.581 18107
4770 1 11 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.936 -0.254 18107
4771 1 11 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.157 -0.223 18107
4772 1 11 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.972 0.721 18107
4773 1 11 . 1 1 57 57 GLU H H 74 7.897 7.897 8.124 -0.227 18107
4774 1 11 . 1 1 58 58 LEU N N 75 115.348 115.348 118.884 -3.536 18107
4775 1 11 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.180 -0.120 18107
4776 1 11 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.523 -0.629 18107
4777 1 11 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.078 0.252 18107
4778 1 11 . 1 1 58 58 LEU H H 75 7.746 7.746 7.765 -0.019 18107
4779 1 11 . 1 1 59 59 LYS N N 76 117.429 117.429 116.340 1.089 18107
4780 1 11 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.295 -0.095 18107
4781 1 11 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.735 -0.127 18107
4782 1 11 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.477 0.406 18107
4783 1 11 . 1 1 59 59 LYS H H 76 7.233 7.233 7.812 -0.579 18107
4784 1 11 . 1 1 60 60 ARG N N 77 120.555 120.555 120.556 -0.001 18107
4785 1 11 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.093 0.033 18107
4786 1 11 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.726 -1.027 18107
4787 1 11 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.395 1.403 18107
4788 1 11 . 1 1 60 60 ARG H H 77 7.701 7.701 7.910 -0.209 18107
4789 1 11 . 1 1 61 61 THR N N 78 111.768 111.768 107.112 4.656 18107
4790 1 11 . 1 1 61 61 THR HA H 78 4.414 4.414 4.072 0.342 18107
4791 1 11 . 1 1 61 61 THR CA C 78 62.557 62.557 64.210 -1.653 18107
4792 1 11 . 1 1 61 61 THR CB C 78 69.221 69.221 68.229 0.992 18107
4793 1 11 . 1 1 61 61 THR H H 78 8.638 8.638 8.214 0.424 18107
4794 1 11 . 1 1 62 62 ASP N N 79 120.616 120.616 119.827 0.789 18107
4795 1 11 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.791 -0.159 18107
4796 1 11 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.389 -1.427 18107
4797 1 11 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.548 -1.302 18107
4798 1 11 . 1 1 62 62 ASP H H 79 8.465 8.465 8.534 -0.069 18107
4799 1 11 . 1 1 63 63 LEU N N 80 120.063 120.063 116.874 3.189 18107
4800 1 11 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.090 -0.845 18107
4801 1 11 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.837 1.375 18107
4802 1 11 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.836 -2.041 18107
4803 1 11 . 1 1 63 63 LEU H H 80 7.157 7.157 7.484 -0.327 18107
4804 1 11 . 1 1 64 64 ASP N N 81 125.396 125.396 121.774 3.622 18107
4805 1 11 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.924 -0.355 18107
4806 1 11 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.554 1.423 18107
4807 1 11 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.474 -1.673 18107
4808 1 11 . 1 1 64 64 ASP H H 81 8.926 8.926 8.209 0.717 18107
4809 1 11 . 1 1 65 65 LEU N N 82 122.508 122.508 121.808 0.700 18107
4810 1 11 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.194 -0.356 18107
4811 1 11 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.638 1.183 18107
4812 1 11 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.036 0.159 18107
4813 1 11 . 1 1 65 65 LEU H H 82 8.281 8.281 8.270 0.011 18107
4814 1 11 . 1 1 66 66 LEU N N 83 119.413 119.413 120.770 -1.357 18107
4815 1 11 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.962 0.110 18107
4816 1 11 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.241 -0.213 18107
4817 1 11 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.581 0.770 18107
4818 1 11 . 1 1 66 66 LEU H H 83 8.149 8.149 7.909 0.240 18107
4819 1 11 . 1 1 67 67 GLU N N 84 119.941 119.941 118.201 1.740 18107
4820 1 11 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.749 0.097 18107
4821 1 11 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.793 -1.270 18107
4822 1 11 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.277 0.935 18107
4823 1 11 . 1 1 67 67 GLU H H 84 7.725 7.725 8.565 -0.840 18107
4824 1 11 . 1 1 68 68 LYS N N 85 119.400 119.400 119.755 -0.355 18107
4825 1 11 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.848 -0.047 18107
4826 1 11 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.495 1.325 18107
4827 1 11 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.380 0.535 18107
4828 1 11 . 1 1 68 68 LYS H H 85 8.117 8.117 8.133 -0.016 18107
4829 1 11 . 1 1 69 69 PHE N N 86 117.969 117.969 118.852 -0.883 18107
4830 1 11 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.169 0.120 18107
4831 1 11 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.857 0.012 18107
4832 1 11 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.427 0.328 18107
4833 1 11 . 1 1 69 69 PHE H H 86 7.975 7.975 8.363 -0.388 18107
4834 1 11 . 1 1 70 70 ASN N N 87 118.904 118.904 118.133 0.771 18107
4835 1 11 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.365 -0.004 18107
4836 1 11 . 1 1 70 70 ASN CA C 87 56.268 56.268 55.716 0.552 18107
4837 1 11 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.108 -0.010 18107
4838 1 11 . 1 1 70 70 ASN H H 87 8.259 8.259 7.382 0.877 18107
4839 1 11 . 1 1 71 71 PHE N N 88 121.068 121.068 118.368 2.700 18107
4840 1 11 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.354 0.912 18107
4841 1 11 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.253 1.534 18107
4842 1 11 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.313 0.717 18107
4843 1 11 . 1 1 71 71 PHE H H 88 8.618 8.618 7.390 1.228 18107
4844 1 11 . 1 1 72 72 GLU N N 89 120.500 120.500 120.152 0.348 18107
4845 1 11 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.964 -0.111 18107
4846 1 11 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.175 1.322 18107
4847 1 11 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.310 0.201 18107
4848 1 11 . 1 1 72 72 GLU H H 89 8.709 8.709 8.674 0.035 18107
4849 1 11 . 1 1 73 73 ALA N N 90 123.117 123.117 121.835 1.282 18107
4850 1 11 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.052 -0.014 18107
4851 1 11 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.789 0.212 18107
4852 1 11 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.072 -0.124 18107
4853 1 11 . 1 1 73 73 ALA H H 90 8.158 8.158 7.928 0.230 18107
4854 1 11 . 1 1 74 74 ALA N N 91 122.919 122.919 121.683 1.236 18107
4855 1 11 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.292 -0.341 18107
4856 1 11 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.495 0.784 18107
4857 1 11 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.494 -0.828 18107
4858 1 11 . 1 1 74 74 ALA H H 91 7.841 7.841 8.187 -0.346 18107
4859 1 11 . 1 1 75 75 LEU N N 92 119.956 119.956 119.611 0.345 18107
4860 1 11 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.129 -0.082 18107
4861 1 11 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.209 0.250 18107
4862 1 11 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.778 0.381 18107
4863 1 11 . 1 1 75 75 LEU H H 92 8.091 8.091 8.426 -0.335 18107
4864 1 11 . 1 1 76 76 ALA N N 93 120.763 120.763 121.205 -0.442 18107
4865 1 11 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.115 0.015 18107
4866 1 11 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.371 0.033 18107
4867 1 11 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.121 -0.251 18107
4868 1 11 . 1 1 76 76 ALA H H 93 7.774 7.774 7.902 -0.128 18107
4869 1 11 . 1 1 77 77 THR N N 94 117.510 117.510 116.835 0.675 18107
4870 1 11 . 1 1 77 77 THR HA H 94 4.234 4.234 3.996 0.238 18107
4871 1 11 . 1 1 77 77 THR CA C 94 67.364 67.364 68.205 -0.841 18107
4872 1 11 . 1 1 77 77 THR CB C 94 68.779 68.779 68.783 -0.004 18107
4873 1 11 . 1 1 77 77 THR H H 94 8.188 8.188 7.814 0.374 18107
4874 1 11 . 1 1 78 78 GLY N N 95 110.009 110.009 109.507 0.502 18107
4875 1 11 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.593 1.557 18107
4876 1 11 . 1 1 78 78 GLY H H 95 8.547 8.547 8.724 -0.177 18107
4877 1 11 . 1 1 79 79 ASP N N 96 121.634 121.634 122.978 -1.344 18107
4878 1 11 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.373 -0.105 18107
4879 1 11 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.034 0.902 18107
4880 1 11 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.697 -0.057 18107
4881 1 11 . 1 1 79 79 ASP H H 96 8.548 8.548 8.315 0.233 18107
4882 1 11 . 1 1 80 80 LEU N N 97 122.599 122.599 119.498 3.101 18107
4883 1 11 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.069 -0.061 18107
4884 1 11 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.754 0.688 18107
4885 1 11 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.238 -0.309 18107
4886 1 11 . 1 1 80 80 LEU H H 97 7.618 7.618 7.617 0.001 18107
4887 1 11 . 1 1 81 81 LEU N N 98 119.913 119.913 117.522 2.391 18107
4888 1 11 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.130 -0.099 18107
4889 1 11 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.083 -0.275 18107
4890 1 11 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.239 1.122 18107
4891 1 11 . 1 1 81 81 LEU H H 98 8.224 8.224 7.788 0.436 18107
4892 1 11 . 1 1 82 82 LEU N N 99 118.616 118.616 120.963 -2.347 18107
4893 1 11 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.861 0.114 18107
4894 1 11 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.022 0.047 18107
4895 1 11 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.628 0.537 18107
4896 1 11 . 1 1 82 82 LEU H H 99 8.359 8.359 8.637 -0.278 18107
4897 1 11 . 1 1 83 83 LYS N N 100 118.988 118.988 118.833 0.155 18107
4898 1 11 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.964 -0.080 18107
4899 1 11 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.008 0.259 18107
4900 1 11 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.062 0.109 18107
4901 1 11 . 1 1 83 83 LYS H H 100 7.566 7.566 7.695 -0.129 18107
4902 1 11 . 1 1 84 84 ASP N N 101 121.591 121.591 120.916 0.675 18107
4903 1 11 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.511 -0.114 18107
4904 1 11 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.601 1.095 18107
4905 1 11 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.797 -0.392 18107
4906 1 11 . 1 1 84 84 ASP H H 101 7.743 7.743 7.694 0.049 18107
4907 1 11 . 1 1 85 85 LEU N N 102 123.215 123.215 120.175 3.040 18107
4908 1 11 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.869 -0.019 18107
4909 1 11 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.125 1.716 18107
4910 1 11 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.730 0.842 18107
4911 1 11 . 1 1 85 85 LEU H H 102 8.760 8.760 8.400 0.360 18107
4912 1 11 . 1 1 86 86 LYS N N 103 119.648 119.648 118.022 1.626 18107
4913 1 11 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.115 -0.047 18107
4914 1 11 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.145 -0.353 18107
4915 1 11 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.894 -0.762 18107
4916 1 11 . 1 1 86 86 LYS H H 103 8.883 8.883 7.878 1.005 18107
4917 1 11 . 1 1 87 87 ALA N N 104 122.844 122.844 122.528 0.316 18107
4918 1 11 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.166 -0.006 18107
4919 1 11 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.750 0.550 18107
4920 1 11 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.272 -0.252 18107
4921 1 11 . 1 1 87 87 ALA H H 104 7.721 7.721 7.744 -0.023 18107
4922 1 11 . 1 1 88 88 LEU N N 105 120.380 120.380 118.793 1.587 18107
4923 1 11 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.014 -0.022 18107
4924 1 11 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.290 -0.104 18107
4925 1 11 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.075 1.729 18107
4926 1 11 . 1 1 88 88 LEU H H 105 7.762 7.762 8.300 -0.538 18107
4927 1 11 . 1 1 89 89 GLN N N 106 118.781 118.781 119.585 -0.804 18107
4928 1 11 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.912 -0.327 18107
4929 1 11 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.653 0.324 18107
4930 1 11 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.512 1.115 18107
4931 1 11 . 1 1 89 89 GLN H H 106 8.658 8.658 8.115 0.543 18107
4932 1 11 . 1 1 90 90 LYS N N 107 118.977 118.977 119.676 -0.699 18107
4933 1 11 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.094 -0.146 18107
4934 1 11 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.708 -0.213 18107
4935 1 11 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.129 0.294 18107
4936 1 11 . 1 1 90 90 LYS H H 107 7.786 7.786 7.764 0.022 18107
4937 1 11 . 1 1 91 91 ARG N N 108 117.470 117.470 120.356 -2.886 18107
4938 1 11 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.085 -0.082 18107
4939 1 11 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.422 0.160 18107
4940 1 11 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.005 1.623 18107
4941 1 11 . 1 1 91 91 ARG H H 108 7.469 7.469 7.646 -0.177 18107
4942 1 11 . 1 1 92 92 VAL N N 109 117.865 117.865 119.918 -2.053 18107
4943 1 11 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.691 -0.209 18107
4944 1 11 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.566 0.045 18107
4945 1 11 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.649 0.562 18107
4946 1 11 . 1 1 92 92 VAL H H 109 8.084 8.084 8.367 -0.283 18107
4947 1 11 . 1 1 93 93 GLN N N 110 119.617 119.617 118.589 1.028 18107
4948 1 11 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.062 -0.186 18107
4949 1 11 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.678 0.556 18107
4950 1 11 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.601 0.423 18107
4951 1 11 . 1 1 93 93 GLN H H 110 8.512 8.512 8.415 0.097 18107
4952 1 11 . 1 1 94 94 ASP N N 111 117.490 117.490 118.513 -1.023 18107
4953 1 11 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.637 -0.146 18107
4954 1 11 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.610 -0.329 18107
4955 1 11 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.727 0.108 18107
4956 1 11 . 1 1 94 94 ASP H H 111 8.194 8.194 8.285 -0.091 18107
4957 1 11 . 1 1 95 95 SER N N 112 116.625 116.625 114.147 2.478 18107
4958 1 11 . 1 1 95 95 SER HA H 112 4.288 4.288 4.244 0.044 18107
4959 1 11 . 1 1 95 95 SER CA C 112 59.770 59.770 60.627 -0.857 18107
4960 1 11 . 1 1 95 95 SER CB C 112 63.990 63.990 63.478 0.512 18107
4961 1 11 . 1 1 95 95 SER H H 112 7.479 7.479 7.832 -0.353 18107
4962 1 12 . 1 1 2 2 THR HA H 19 4.222 4.222 4.126 0.096 18107
4963 1 12 . 1 1 2 2 THR CA C 19 63.013 63.013 65.624 -2.611 18107
4964 1 12 . 1 1 2 2 THR CB C 19 69.504 69.504 68.960 0.544 18107
4965 1 12 . 1 1 3 3 ALA N N 20 125.065 125.065 124.013 1.052 18107
4966 1 12 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.971 0.179 18107
4967 1 12 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.798 0.158 18107
4968 1 12 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.048 0.949 18107
4969 1 12 . 1 1 3 3 ALA H H 20 8.404 8.404 8.389 0.015 18107
4970 1 12 . 1 1 4 4 THR N N 21 109.840 109.840 111.309 -1.469 18107
4971 1 12 . 1 1 4 4 THR HA H 21 4.235 4.235 3.979 0.256 18107
4972 1 12 . 1 1 4 4 THR CA C 21 64.668 64.668 65.054 -0.386 18107
4973 1 12 . 1 1 4 4 THR CB C 21 68.923 68.923 67.371 1.552 18107
4974 1 12 . 1 1 4 4 THR H H 21 7.910 7.910 8.364 -0.454 18107
4975 1 12 . 1 1 5 5 GLN N N 22 122.037 122.037 119.563 2.474 18107
4976 1 12 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.187 -0.136 18107
4977 1 12 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.538 -0.373 18107
4978 1 12 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.595 -0.038 18107
4979 1 12 . 1 1 5 5 GLN H H 22 7.953 7.953 7.688 0.265 18107
4980 1 12 . 1 1 6 6 ARG N N 23 118.944 118.944 119.352 -0.408 18107
4981 1 12 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.079 0.027 18107
4982 1 12 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.614 -0.522 18107
4983 1 12 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.449 -0.302 18107
4984 1 12 . 1 1 6 6 ARG H H 23 7.922 7.922 7.540 0.382 18107
4985 1 12 . 1 1 7 7 PHE N N 24 116.543 116.543 115.201 1.342 18107
4986 1 12 . 1 1 7 7 PHE H H 24 8.276 8.276 7.649 0.627 18107
4987 1 12 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.668 -0.173 18107
4988 1 12 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.069 1.951 18107
4989 1 12 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.744 -0.692 18107
4990 1 12 . 1 1 9 9 GLU N N 26 118.298 118.298 118.897 -0.599 18107
4991 1 12 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.058 -0.068 18107
4992 1 12 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.995 -0.617 18107
4993 1 12 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.332 -0.020 18107
4994 1 12 . 1 1 9 9 GLU H H 26 8.148 8.148 8.619 -0.471 18107
4995 1 12 . 1 1 10 10 ILE N N 27 121.761 121.761 117.191 4.570 18107
4996 1 12 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.809 0.155 18107
4997 1 12 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.309 0.154 18107
4998 1 12 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.914 0.336 18107
4999 1 12 . 1 1 10 10 ILE H H 27 8.165 8.165 8.157 0.008 18107
5000 1 12 . 1 1 11 11 GLU N N 28 122.042 122.042 121.165 0.877 18107
5001 1 12 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.021 -0.184 18107
5002 1 12 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.287 0.341 18107
5003 1 12 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.489 0.517 18107
5004 1 12 . 1 1 11 11 GLU H H 28 8.541 8.541 7.901 0.640 18107
5005 1 12 . 1 1 12 12 LYS N N 29 117.967 117.967 119.130 -1.163 18107
5006 1 12 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.152 -0.210 18107
5007 1 12 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.513 0.228 18107
5008 1 12 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.301 0.151 18107
5009 1 12 . 1 1 12 12 LYS H H 29 7.517 7.517 7.885 -0.368 18107
5010 1 12 . 1 1 13 13 PHE N N 30 122.144 122.144 120.724 1.420 18107
5011 1 12 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.283 0.146 18107
5012 1 12 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.456 -0.670 18107
5013 1 12 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.770 0.441 18107
5014 1 12 . 1 1 13 13 PHE H H 30 8.066 8.066 8.024 0.042 18107
5015 1 12 . 1 1 14 14 LEU N N 31 119.404 119.404 120.038 -0.634 18107
5016 1 12 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.014 -0.280 18107
5017 1 12 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.882 -1.118 18107
5018 1 12 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.620 -0.184 18107
5019 1 12 . 1 1 14 14 LEU H H 31 8.739 8.739 8.543 0.196 18107
5020 1 12 . 1 1 15 15 LEU N N 32 121.073 121.073 117.939 3.134 18107
5021 1 12 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.175 -0.215 18107
5022 1 12 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.302 0.030 18107
5023 1 12 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.266 0.696 18107
5024 1 12 . 1 1 15 15 LEU H H 32 7.736 7.736 7.797 -0.061 18107
5025 1 12 . 1 1 16 16 HIS N N 33 118.629 118.629 119.754 -1.125 18107
5026 1 12 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.371 -0.025 18107
5027 1 12 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.093 -0.447 18107
5028 1 12 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.415 -0.114 18107
5029 1 12 . 1 1 16 16 HIS H H 33 7.681 7.681 8.339 -0.658 18107
5030 1 12 . 1 1 17 17 ILE N N 34 118.602 118.602 120.241 -1.639 18107
5031 1 12 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.835 -0.030 18107
5032 1 12 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.262 -1.755 18107
5033 1 12 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.966 -0.521 18107
5034 1 12 . 1 1 17 17 ILE H H 34 8.502 8.502 8.659 -0.157 18107
5035 1 12 . 1 1 18 18 THR N N 35 117.776 117.776 116.050 1.726 18107
5036 1 12 . 1 1 18 18 THR HA H 35 4.116 4.116 3.935 0.181 18107
5037 1 12 . 1 1 18 18 THR CA C 35 68.694 68.694 67.709 0.985 18107
5038 1 12 . 1 1 18 18 THR CB C 35 68.694 68.694 68.452 0.242 18107
5039 1 12 . 1 1 18 18 THR H H 35 7.726 7.726 7.873 -0.147 18107
5040 1 12 . 1 1 19 19 HIS N N 36 118.130 118.130 121.100 -2.970 18107
5041 1 12 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.161 0.240 18107
5042 1 12 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.953 -0.167 18107
5043 1 12 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.907 -0.837 18107
5044 1 12 . 1 1 19 19 HIS H H 36 7.177 7.177 7.840 -0.663 18107
5045 1 12 . 1 1 20 20 GLU N N 37 119.301 119.301 118.634 0.667 18107
5046 1 12 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.038 0.012 18107
5047 1 12 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.561 -0.004 18107
5048 1 12 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.531 0.525 18107
5049 1 12 . 1 1 20 20 GLU H H 37 7.335 7.335 7.857 -0.522 18107
5050 1 12 . 1 1 21 21 VAL N N 38 122.744 122.744 119.561 3.183 18107
5051 1 12 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.625 -0.203 18107
5052 1 12 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.614 0.435 18107
5053 1 12 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.647 -0.274 18107
5054 1 12 . 1 1 21 21 VAL H H 38 8.385 8.385 7.815 0.570 18107
5055 1 12 . 1 1 22 22 ASP N N 39 120.471 120.471 120.058 0.413 18107
5056 1 12 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.359 -0.212 18107
5057 1 12 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.953 -0.227 18107
5058 1 12 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.347 0.040 18107
5059 1 12 . 1 1 22 22 ASP H H 39 8.054 8.054 7.793 0.261 18107
5060 1 12 . 1 1 23 23 ASP N N 40 118.541 118.541 120.330 -1.789 18107
5061 1 12 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.415 0.005 18107
5062 1 12 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.688 -0.201 18107
5063 1 12 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.332 -0.158 18107
5064 1 12 . 1 1 23 23 ASP H H 40 7.587 7.587 7.934 -0.347 18107
5065 1 12 . 1 1 24 24 LEU N N 41 123.241 123.241 116.771 6.470 18107
5066 1 12 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.275 -0.107 18107
5067 1 12 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.635 0.072 18107
5068 1 12 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.422 0.487 18107
5069 1 12 . 1 1 24 24 LEU H H 41 8.032 8.032 8.259 -0.227 18107
5070 1 12 . 1 1 25 25 GLU N N 42 117.508 117.508 118.925 -1.417 18107
5071 1 12 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.040 -0.120 18107
5072 1 12 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.031 0.052 18107
5073 1 12 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.786 0.077 18107
5074 1 12 . 1 1 25 25 GLU H H 42 8.010 8.010 8.440 -0.430 18107
5075 1 12 . 1 1 26 26 LYS N N 43 117.032 117.032 116.058 0.974 18107
5076 1 12 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.286 -0.043 18107
5077 1 12 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.675 0.577 18107
5078 1 12 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.362 1.145 18107
5079 1 12 . 1 1 26 26 LYS H H 43 7.596 7.596 7.679 -0.083 18107
5080 1 12 . 1 1 27 27 THR N N 44 110.288 110.288 114.173 -3.885 18107
5081 1 12 . 1 1 27 27 THR HA H 44 4.271 4.271 4.278 -0.007 18107
5082 1 12 . 1 1 27 27 THR CA C 44 62.820 62.820 63.932 -1.113 18107
5083 1 12 . 1 1 27 27 THR CB C 44 70.733 70.733 70.163 0.570 18107
5084 1 12 . 1 1 27 27 THR H H 44 8.227 8.227 7.578 0.649 18107
5085 1 12 . 1 1 28 28 GLY N N 45 112.257 112.257 108.017 4.240 18107
5086 1 12 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.513 1.148 18107
5087 1 12 . 1 1 28 28 GLY H H 45 8.727 8.727 7.781 0.946 18107
5088 1 12 . 1 1 29 29 ASN N N 46 118.416 118.416 117.237 1.179 18107
5089 1 12 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.380 0.089 18107
5090 1 12 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.586 0.711 18107
5091 1 12 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.201 2.909 18107
5092 1 12 . 1 1 29 29 ASN H H 46 7.716 7.716 8.171 -0.455 18107
5093 1 12 . 1 1 30 30 LYS N N 47 126.481 126.481 117.883 8.598 18107
5094 1 12 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.078 -0.090 18107
5095 1 12 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.514 0.677 18107
5096 1 12 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.386 0.127 18107
5097 1 12 . 1 1 30 30 LYS H H 47 8.770 8.770 8.476 0.294 18107
5098 1 12 . 1 1 31 31 ASP N N 48 121.710 121.710 115.004 6.706 18107
5099 1 12 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.808 -0.341 18107
5100 1 12 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.523 3.112 18107
5101 1 12 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.213 -0.769 18107
5102 1 12 . 1 1 31 31 ASP H H 48 8.229 8.229 8.044 0.185 18107
5103 1 12 . 1 1 32 32 GLU N N 49 121.695 121.695 121.390 0.305 18107
5104 1 12 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.137 0.220 18107
5105 1 12 . 1 1 32 32 GLU H H 49 8.048 8.048 8.546 -0.498 18107
5106 1 12 . 1 1 33 33 LYS N N 50 120.099 120.099 119.404 0.695 18107
5107 1 12 . 1 1 33 33 LYS HA H 50 3.651 3.651 4.023 -0.372 18107
5108 1 12 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.650 1.187 18107
5109 1 12 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.025 0.942 18107
5110 1 12 . 1 1 33 33 LYS H H 50 7.975 7.975 8.428 -0.453 18107
5111 1 12 . 1 1 34 34 ALA N N 51 118.238 118.238 120.660 -2.422 18107
5112 1 12 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.145 -0.156 18107
5113 1 12 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.934 0.459 18107
5114 1 12 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.195 0.017 18107
5115 1 12 . 1 1 34 34 ALA H H 51 7.614 7.614 8.178 -0.564 18107
5116 1 12 . 1 1 35 35 ARG N N 52 120.311 120.311 119.192 1.119 18107
5117 1 12 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.083 1.808 18107
5118 1 12 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.223 0.827 18107
5119 1 12 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.517 -0.106 18107
5120 1 12 . 1 1 35 35 ARG H H 52 7.883 7.883 7.956 -0.073 18107
5121 1 12 . 1 1 36 36 LEU N N 53 119.541 119.541 119.043 0.498 18107
5122 1 12 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.189 -0.243 18107
5123 1 12 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.110 0.379 18107
5124 1 12 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.438 1.004 18107
5125 1 12 . 1 1 36 36 LEU H H 53 8.553 8.553 8.424 0.129 18107
5126 1 12 . 1 1 37 37 LEU N N 54 117.789 117.789 120.348 -2.559 18107
5127 1 12 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.859 0.206 18107
5128 1 12 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.097 0.545 18107
5129 1 12 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.416 -0.097 18107
5130 1 12 . 1 1 37 37 LEU H H 54 8.341 8.341 8.096 0.245 18107
5131 1 12 . 1 1 38 38 ARG N N 55 121.176 121.176 119.140 2.036 18107
5132 1 12 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.024 0.044 18107
5133 1 12 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.873 1.452 18107
5134 1 12 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.930 0.140 18107
5135 1 12 . 1 1 38 38 ARG H H 55 7.864 7.864 7.933 -0.069 18107
5136 1 12 . 1 1 39 39 GLU N N 56 119.256 119.256 120.691 -1.435 18107
5137 1 12 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.087 -0.027 18107
5138 1 12 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.812 0.083 18107
5139 1 12 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.648 0.253 18107
5140 1 12 . 1 1 39 39 GLU H H 56 8.390 8.390 7.764 0.626 18107
5141 1 12 . 1 1 40 40 LEU N N 57 120.312 120.312 117.086 3.226 18107
5142 1 12 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.248 -0.120 18107
5143 1 12 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.357 0.264 18107
5144 1 12 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.434 0.795 18107
5145 1 12 . 1 1 40 40 LEU H H 57 8.802 8.802 8.131 0.671 18107
5146 1 12 . 1 1 41 41 THR N N 58 117.791 117.791 117.533 0.258 18107
5147 1 12 . 1 1 41 41 THR HA H 58 4.341 4.341 4.189 0.152 18107
5148 1 12 . 1 1 41 41 THR CA C 58 67.542 67.542 65.906 1.636 18107
5149 1 12 . 1 1 41 41 THR CB C 58 69.157 69.157 68.304 0.853 18107
5150 1 12 . 1 1 41 41 THR H H 58 8.182 8.182 7.909 0.273 18107
5151 1 12 . 1 1 42 42 VAL N N 59 123.554 123.554 120.977 2.577 18107
5152 1 12 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.600 0.123 18107
5153 1 12 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.762 0.093 18107
5154 1 12 . 1 1 42 42 VAL H H 59 7.978 7.978 8.468 -0.490 18107
5155 1 12 . 1 1 43 43 SER N N 60 116.859 116.859 114.569 2.290 18107
5156 1 12 . 1 1 43 43 SER HA H 60 4.155 4.155 1.935 2.220 18107
5157 1 12 . 1 1 43 43 SER CA C 60 63.412 63.412 61.327 2.085 18107
5158 1 12 . 1 1 43 43 SER H H 60 7.715 7.715 7.654 0.061 18107
5159 1 12 . 1 1 44 44 GLU N N 61 124.072 124.072 120.464 3.608 18107
5160 1 12 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.762 -0.136 18107
5161 1 12 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.163 1.339 18107
5162 1 12 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.430 0.364 18107
5163 1 12 . 1 1 44 44 GLU H H 61 8.517 8.517 8.200 0.317 18107
5164 1 12 . 1 1 45 45 ALA N N 62 120.467 120.467 122.100 -1.633 18107
5165 1 12 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.083 0.066 18107
5166 1 12 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.004 0.222 18107
5167 1 12 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.190 -0.345 18107
5168 1 12 . 1 1 45 45 ALA H H 62 7.853 7.853 7.563 0.290 18107
5169 1 12 . 1 1 46 46 PHE N N 63 119.936 119.936 117.163 2.773 18107
5170 1 12 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.238 0.027 18107
5171 1 12 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.667 2.869 18107
5172 1 12 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.566 1.626 18107
5173 1 12 . 1 1 46 46 PHE H H 63 7.946 7.946 7.083 0.863 18107
5174 1 12 . 1 1 47 47 ILE N N 64 122.630 122.630 120.161 2.469 18107
5175 1 12 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.515 0.105 18107
5176 1 12 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.712 2.646 18107
5177 1 12 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.590 1.791 18107
5178 1 12 . 1 1 47 47 ILE H H 64 8.595 8.595 8.266 0.329 18107
5179 1 12 . 1 1 48 48 GLU N N 65 120.257 120.257 119.344 0.913 18107
5180 1 12 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.978 0.611 18107
5181 1 12 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.707 -0.351 18107
5182 1 12 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.290 0.312 18107
5183 1 12 . 1 1 48 48 GLU H H 65 9.078 9.078 8.030 1.048 18107
5184 1 12 . 1 1 49 49 GLY N N 66 108.368 108.368 107.070 1.298 18107
5185 1 12 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.574 0.579 18107
5186 1 12 . 1 1 49 49 GLY H H 66 8.379 8.379 8.015 0.364 18107
5187 1 12 . 1 1 50 50 SER N N 67 119.358 119.358 117.834 1.524 18107
5188 1 12 . 1 1 50 50 SER HA H 67 3.988 3.988 4.052 -0.064 18107
5189 1 12 . 1 1 50 50 SER CA C 67 62.501 62.501 61.263 1.238 18107
5190 1 12 . 1 1 50 50 SER CB C 67 63.441 63.441 63.126 0.315 18107
5191 1 12 . 1 1 50 50 SER H H 67 7.694 7.694 8.182 -0.488 18107
5192 1 12 . 1 1 51 51 ARG N N 68 121.212 121.212 119.311 1.901 18107
5193 1 12 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.208 -0.300 18107
5194 1 12 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.831 2.211 18107
5195 1 12 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.647 1.110 18107
5196 1 12 . 1 1 51 51 ARG H H 68 8.684 8.684 8.391 0.293 18107
5197 1 12 . 1 1 52 52 GLY N N 69 124.556 124.556 107.192 17.364 18107
5198 1 12 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.632 0.631 18107
5199 1 12 . 1 1 52 52 GLY H H 69 8.068 8.068 8.280 -0.212 18107
5200 1 12 . 1 1 53 53 TYR N N 70 123.123 123.123 123.404 -0.281 18107
5201 1 12 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.126 -0.057 18107
5202 1 12 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.308 -0.488 18107
5203 1 12 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.461 -0.713 18107
5204 1 12 . 1 1 53 53 TYR H H 70 7.337 7.337 7.504 -0.167 18107
5205 1 12 . 1 1 54 54 PHE N N 71 117.809 117.809 118.307 -0.498 18107
5206 1 12 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.072 -0.405 18107
5207 1 12 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.157 0.332 18107
5208 1 12 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.823 0.926 18107
5209 1 12 . 1 1 54 54 PHE H H 71 7.965 7.965 7.553 0.412 18107
5210 1 12 . 1 1 55 55 GLN N N 72 115.519 115.519 117.911 -2.392 18107
5211 1 12 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.045 -0.187 18107
5212 1 12 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.818 0.790 18107
5213 1 12 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.547 0.449 18107
5214 1 12 . 1 1 55 55 GLN H H 72 8.522 8.522 7.991 0.531 18107
5215 1 12 . 1 1 56 56 ARG N N 73 118.947 118.947 118.713 0.234 18107
5216 1 12 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.084 -0.212 18107
5217 1 12 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.391 1.530 18107
5218 1 12 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.829 0.257 18107
5219 1 12 . 1 1 56 56 ARG H H 73 7.677 7.677 7.535 0.142 18107
5220 1 12 . 1 1 57 57 GLU N N 74 121.204 121.204 120.981 0.223 18107
5221 1 12 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.909 -0.227 18107
5222 1 12 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.168 -0.234 18107
5223 1 12 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.893 0.800 18107
5224 1 12 . 1 1 57 57 GLU H H 74 7.897 7.897 8.258 -0.361 18107
5225 1 12 . 1 1 58 58 LEU N N 75 115.348 115.348 118.444 -3.096 18107
5226 1 12 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.180 -0.120 18107
5227 1 12 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.658 -0.764 18107
5228 1 12 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.078 0.252 18107
5229 1 12 . 1 1 58 58 LEU H H 75 7.746 7.746 7.741 0.005 18107
5230 1 12 . 1 1 59 59 LYS N N 76 117.429 117.429 115.976 1.453 18107
5231 1 12 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.318 -0.118 18107
5232 1 12 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.531 0.078 18107
5233 1 12 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.526 0.357 18107
5234 1 12 . 1 1 59 59 LYS H H 76 7.233 7.233 7.811 -0.578 18107
5235 1 12 . 1 1 60 60 ARG N N 77 120.555 120.555 121.005 -0.450 18107
5236 1 12 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.061 0.065 18107
5237 1 12 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.661 -0.962 18107
5238 1 12 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.465 1.333 18107
5239 1 12 . 1 1 60 60 ARG H H 77 7.701 7.701 7.984 -0.283 18107
5240 1 12 . 1 1 61 61 THR N N 78 111.768 111.768 107.060 4.708 18107
5241 1 12 . 1 1 61 61 THR HA H 78 4.414 4.414 4.121 0.293 18107
5242 1 12 . 1 1 61 61 THR CA C 78 62.557 62.557 64.330 -1.773 18107
5243 1 12 . 1 1 61 61 THR CB C 78 69.221 69.221 67.590 1.631 18107
5244 1 12 . 1 1 61 61 THR H H 78 8.638 8.638 8.343 0.295 18107
5245 1 12 . 1 1 62 62 ASP N N 79 120.616 120.616 120.159 0.457 18107
5246 1 12 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.832 -0.200 18107
5247 1 12 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.606 -1.644 18107
5248 1 12 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.723 -1.477 18107
5249 1 12 . 1 1 62 62 ASP H H 79 8.465 8.465 8.505 -0.040 18107
5250 1 12 . 1 1 63 63 LEU N N 80 120.063 120.063 117.251 2.812 18107
5251 1 12 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.070 -0.825 18107
5252 1 12 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.688 1.524 18107
5253 1 12 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.830 -2.035 18107
5254 1 12 . 1 1 63 63 LEU H H 80 7.157 7.157 7.481 -0.324 18107
5255 1 12 . 1 1 64 64 ASP N N 81 125.396 125.396 122.274 3.122 18107
5256 1 12 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.918 -0.349 18107
5257 1 12 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.811 1.166 18107
5258 1 12 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.429 -1.629 18107
5259 1 12 . 1 1 64 64 ASP H H 81 8.926 8.926 8.270 0.656 18107
5260 1 12 . 1 1 65 65 LEU N N 82 122.508 122.508 121.618 0.890 18107
5261 1 12 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.152 -0.314 18107
5262 1 12 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.599 1.222 18107
5263 1 12 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.241 -0.046 18107
5264 1 12 . 1 1 65 65 LEU H H 82 8.281 8.281 8.297 -0.016 18107
5265 1 12 . 1 1 66 66 LEU N N 83 119.413 119.413 120.939 -1.526 18107
5266 1 12 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.170 -0.098 18107
5267 1 12 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.353 -0.325 18107
5268 1 12 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.630 0.721 18107
5269 1 12 . 1 1 66 66 LEU H H 83 8.149 8.149 8.022 0.127 18107
5270 1 12 . 1 1 67 67 GLU N N 84 119.941 119.941 118.128 1.813 18107
5271 1 12 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.802 0.044 18107
5272 1 12 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.501 -0.978 18107
5273 1 12 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.120 1.092 18107
5274 1 12 . 1 1 67 67 GLU H H 84 7.725 7.725 8.488 -0.763 18107
5275 1 12 . 1 1 68 68 LYS N N 85 119.400 119.400 120.104 -0.704 18107
5276 1 12 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.764 0.037 18107
5277 1 12 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.080 1.740 18107
5278 1 12 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.127 0.788 18107
5279 1 12 . 1 1 68 68 LYS H H 85 8.117 8.117 8.138 -0.021 18107
5280 1 12 . 1 1 69 69 PHE N N 86 117.969 117.969 118.877 -0.908 18107
5281 1 12 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.097 0.192 18107
5282 1 12 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.583 -0.714 18107
5283 1 12 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.731 0.024 18107
5284 1 12 . 1 1 69 69 PHE H H 86 7.975 7.975 8.155 -0.180 18107
5285 1 12 . 1 1 70 70 ASN N N 87 118.904 118.904 118.035 0.869 18107
5286 1 12 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.386 -0.025 18107
5287 1 12 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.146 0.122 18107
5288 1 12 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.390 -0.292 18107
5289 1 12 . 1 1 70 70 ASN H H 87 8.259 8.259 7.348 0.911 18107
5290 1 12 . 1 1 71 71 PHE N N 88 121.068 121.068 117.946 3.122 18107
5291 1 12 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.517 0.749 18107
5292 1 12 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.122 1.665 18107
5293 1 12 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.442 0.588 18107
5294 1 12 . 1 1 71 71 PHE H H 88 8.618 8.618 7.423 1.195 18107
5295 1 12 . 1 1 72 72 GLU N N 89 120.500 120.500 120.684 -0.184 18107
5296 1 12 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.995 -0.142 18107
5297 1 12 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.178 1.319 18107
5298 1 12 . 1 1 72 72 GLU CB C 89 29.511 29.511 28.197 1.314 18107
5299 1 12 . 1 1 72 72 GLU H H 89 8.709 8.709 8.707 0.002 18107
5300 1 12 . 1 1 73 73 ALA N N 90 123.117 123.117 122.010 1.107 18107
5301 1 12 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.166 -0.128 18107
5302 1 12 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.718 0.283 18107
5303 1 12 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.047 -0.099 18107
5304 1 12 . 1 1 73 73 ALA H H 90 8.158 8.158 7.969 0.189 18107
5305 1 12 . 1 1 74 74 ALA N N 91 122.919 122.919 121.216 1.703 18107
5306 1 12 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.131 -0.180 18107
5307 1 12 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.389 0.890 18107
5308 1 12 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.139 -0.473 18107
5309 1 12 . 1 1 74 74 ALA H H 91 7.841 7.841 8.071 -0.230 18107
5310 1 12 . 1 1 75 75 LEU N N 92 119.956 119.956 119.537 0.419 18107
5311 1 12 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.202 -0.155 18107
5312 1 12 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.069 0.390 18107
5313 1 12 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.836 0.323 18107
5314 1 12 . 1 1 75 75 LEU H H 92 8.091 8.091 8.338 -0.247 18107
5315 1 12 . 1 1 76 76 ALA N N 93 120.763 120.763 120.908 -0.145 18107
5316 1 12 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.149 -0.019 18107
5317 1 12 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.353 0.050 18107
5318 1 12 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.202 -0.332 18107
5319 1 12 . 1 1 76 76 ALA H H 93 7.774 7.774 7.886 -0.112 18107
5320 1 12 . 1 1 77 77 THR N N 94 117.510 117.510 116.088 1.422 18107
5321 1 12 . 1 1 77 77 THR HA H 94 4.234 4.234 4.098 0.136 18107
5322 1 12 . 1 1 77 77 THR CA C 94 67.364 67.364 67.776 -0.412 18107
5323 1 12 . 1 1 77 77 THR CB C 94 68.779 68.779 68.828 -0.049 18107
5324 1 12 . 1 1 77 77 THR H H 94 8.188 8.188 7.807 0.381 18107
5325 1 12 . 1 1 78 78 GLY N N 95 110.009 110.009 109.882 0.127 18107
5326 1 12 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.754 1.396 18107
5327 1 12 . 1 1 78 78 GLY H H 95 8.547 8.547 8.828 -0.281 18107
5328 1 12 . 1 1 79 79 ASP N N 96 121.634 121.634 122.701 -1.067 18107
5329 1 12 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.429 -0.161 18107
5330 1 12 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.997 -0.061 18107
5331 1 12 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.961 -0.321 18107
5332 1 12 . 1 1 79 79 ASP H H 96 8.548 8.548 8.200 0.348 18107
5333 1 12 . 1 1 80 80 LEU N N 97 122.599 122.599 119.795 2.804 18107
5334 1 12 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.072 -0.064 18107
5335 1 12 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.866 0.576 18107
5336 1 12 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.245 -0.316 18107
5337 1 12 . 1 1 80 80 LEU H H 97 7.618 7.618 7.684 -0.066 18107
5338 1 12 . 1 1 81 81 LEU N N 98 119.913 119.913 117.909 2.004 18107
5339 1 12 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.110 -0.079 18107
5340 1 12 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.149 -0.341 18107
5341 1 12 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.239 1.122 18107
5342 1 12 . 1 1 81 81 LEU H H 98 8.224 8.224 7.893 0.331 18107
5343 1 12 . 1 1 82 82 LEU N N 99 118.616 118.616 120.745 -2.129 18107
5344 1 12 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.870 0.105 18107
5345 1 12 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.013 0.056 18107
5346 1 12 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.671 0.494 18107
5347 1 12 . 1 1 82 82 LEU H H 99 8.359 8.359 8.569 -0.210 18107
5348 1 12 . 1 1 83 83 LYS N N 100 118.988 118.988 118.923 0.065 18107
5349 1 12 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.946 -0.062 18107
5350 1 12 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.284 -0.017 18107
5351 1 12 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.061 0.110 18107
5352 1 12 . 1 1 83 83 LYS H H 100 7.566 7.566 7.867 -0.301 18107
5353 1 12 . 1 1 84 84 ASP N N 101 121.591 121.591 120.614 0.977 18107
5354 1 12 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.465 -0.068 18107
5355 1 12 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.970 0.726 18107
5356 1 12 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.057 -0.652 18107
5357 1 12 . 1 1 84 84 ASP H H 101 7.743 7.743 8.000 -0.257 18107
5358 1 12 . 1 1 85 85 LEU N N 102 123.215 123.215 120.331 2.884 18107
5359 1 12 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.878 -0.028 18107
5360 1 12 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.138 1.703 18107
5361 1 12 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.808 0.764 18107
5362 1 12 . 1 1 85 85 LEU H H 102 8.760 8.760 8.329 0.431 18107
5363 1 12 . 1 1 86 86 LYS N N 103 119.648 119.648 118.664 0.984 18107
5364 1 12 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.105 -0.037 18107
5365 1 12 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.174 -0.382 18107
5366 1 12 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.879 -0.747 18107
5367 1 12 . 1 1 86 86 LYS H H 103 8.883 8.883 7.839 1.044 18107
5368 1 12 . 1 1 87 87 ALA N N 104 122.844 122.844 122.366 0.478 18107
5369 1 12 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.178 -0.018 18107
5370 1 12 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.721 0.579 18107
5371 1 12 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.401 -0.380 18107
5372 1 12 . 1 1 87 87 ALA H H 104 7.721 7.721 7.704 0.017 18107
5373 1 12 . 1 1 88 88 LEU N N 105 120.380 120.380 118.785 1.595 18107
5374 1 12 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.067 -0.075 18107
5375 1 12 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.004 0.182 18107
5376 1 12 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.276 1.528 18107
5377 1 12 . 1 1 88 88 LEU H H 105 7.762 7.762 8.366 -0.604 18107
5378 1 12 . 1 1 89 89 GLN N N 106 118.781 118.781 119.493 -0.712 18107
5379 1 12 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.878 -0.293 18107
5380 1 12 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.592 0.385 18107
5381 1 12 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.537 1.090 18107
5382 1 12 . 1 1 89 89 GLN H H 106 8.658 8.658 8.579 0.079 18107
5383 1 12 . 1 1 90 90 LYS N N 107 118.977 118.977 119.644 -0.667 18107
5384 1 12 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.075 -0.127 18107
5385 1 12 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.765 -0.270 18107
5386 1 12 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.147 0.277 18107
5387 1 12 . 1 1 90 90 LYS H H 107 7.786 7.786 7.734 0.052 18107
5388 1 12 . 1 1 91 91 ARG N N 108 117.470 117.470 120.193 -2.723 18107
5389 1 12 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.049 -0.046 18107
5390 1 12 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.564 0.018 18107
5391 1 12 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.233 1.395 18107
5392 1 12 . 1 1 91 91 ARG H H 108 7.469 7.469 7.626 -0.157 18107
5393 1 12 . 1 1 92 92 VAL N N 109 117.865 117.865 120.046 -2.181 18107
5394 1 12 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.748 -0.266 18107
5395 1 12 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.518 1.093 18107
5396 1 12 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.188 1.023 18107
5397 1 12 . 1 1 92 92 VAL H H 109 8.084 8.084 8.476 -0.392 18107
5398 1 12 . 1 1 93 93 GLN N N 110 119.617 119.617 118.625 0.992 18107
5399 1 12 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.986 -0.110 18107
5400 1 12 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.825 0.409 18107
5401 1 12 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.495 0.529 18107
5402 1 12 . 1 1 93 93 GLN H H 110 8.512 8.512 8.444 0.068 18107
5403 1 12 . 1 1 94 94 ASP N N 111 117.490 117.490 119.620 -2.130 18107
5404 1 12 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.493 -0.002 18107
5405 1 12 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.526 -1.245 18107
5406 1 12 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.862 -0.027 18107
5407 1 12 . 1 1 94 94 ASP H H 111 8.194 8.194 8.140 0.054 18107
5408 1 12 . 1 1 95 95 SER N N 112 116.625 116.625 113.966 2.659 18107
5409 1 12 . 1 1 95 95 SER HA H 112 4.288 4.288 4.187 0.101 18107
5410 1 12 . 1 1 95 95 SER CA C 112 59.770 59.770 61.195 -1.425 18107
5411 1 12 . 1 1 95 95 SER CB C 112 63.990 63.990 63.652 0.338 18107
5412 1 12 . 1 1 95 95 SER H H 112 7.479 7.479 7.704 -0.225 18107
5413 1 13 . 1 1 2 2 THR HA H 19 4.222 4.222 4.074 0.148 18107
5414 1 13 . 1 1 2 2 THR CA C 19 63.013 63.013 66.001 -2.988 18107
5415 1 13 . 1 1 2 2 THR CB C 19 69.504 69.504 68.700 0.804 18107
5416 1 13 . 1 1 3 3 ALA N N 20 125.065 125.065 124.493 0.572 18107
5417 1 13 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.955 0.195 18107
5418 1 13 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.816 0.140 18107
5419 1 13 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.816 1.181 18107
5420 1 13 . 1 1 3 3 ALA H H 20 8.404 8.404 8.417 -0.013 18107
5421 1 13 . 1 1 4 4 THR N N 21 109.840 109.840 111.349 -1.509 18107
5422 1 13 . 1 1 4 4 THR HA H 21 4.235 4.235 3.895 0.340 18107
5423 1 13 . 1 1 4 4 THR CA C 21 64.668 64.668 64.792 -0.124 18107
5424 1 13 . 1 1 4 4 THR CB C 21 68.923 68.923 67.691 1.232 18107
5425 1 13 . 1 1 4 4 THR H H 21 7.910 7.910 8.100 -0.190 18107
5426 1 13 . 1 1 5 5 GLN N N 22 122.037 122.037 119.342 2.695 18107
5427 1 13 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.130 -0.079 18107
5428 1 13 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.385 -0.221 18107
5429 1 13 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.811 -0.254 18107
5430 1 13 . 1 1 5 5 GLN H H 22 7.953 7.953 7.765 0.188 18107
5431 1 13 . 1 1 6 6 ARG N N 23 118.944 118.944 119.530 -0.586 18107
5432 1 13 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.136 -0.030 18107
5433 1 13 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.008 0.084 18107
5434 1 13 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.259 -0.113 18107
5435 1 13 . 1 1 6 6 ARG H H 23 7.922 7.922 7.501 0.421 18107
5436 1 13 . 1 1 7 7 PHE N N 24 116.543 116.543 114.856 1.687 18107
5437 1 13 . 1 1 7 7 PHE H H 24 8.276 8.276 7.563 0.713 18107
5438 1 13 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.513 -0.018 18107
5439 1 13 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.272 1.748 18107
5440 1 13 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.307 -1.255 18107
5441 1 13 . 1 1 9 9 GLU N N 26 118.298 118.298 119.743 -1.445 18107
5442 1 13 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.092 -0.102 18107
5443 1 13 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.811 -0.433 18107
5444 1 13 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.377 -0.065 18107
5445 1 13 . 1 1 9 9 GLU H H 26 8.148 8.148 8.593 -0.445 18107
5446 1 13 . 1 1 10 10 ILE N N 27 121.761 121.761 116.701 5.060 18107
5447 1 13 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.702 0.262 18107
5448 1 13 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.947 -0.484 18107
5449 1 13 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.881 0.369 18107
5450 1 13 . 1 1 10 10 ILE H H 27 8.165 8.165 8.166 -0.001 18107
5451 1 13 . 1 1 11 11 GLU N N 28 122.042 122.042 121.423 0.619 18107
5452 1 13 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.976 -0.139 18107
5453 1 13 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.197 0.431 18107
5454 1 13 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.502 0.504 18107
5455 1 13 . 1 1 11 11 GLU H H 28 8.541 8.541 7.993 0.548 18107
5456 1 13 . 1 1 12 12 LYS N N 29 117.967 117.967 118.723 -0.756 18107
5457 1 13 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.080 -0.138 18107
5458 1 13 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.394 0.347 18107
5459 1 13 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.288 0.164 18107
5460 1 13 . 1 1 12 12 LYS H H 29 7.517 7.517 7.894 -0.377 18107
5461 1 13 . 1 1 13 13 PHE N N 30 122.144 122.144 120.220 1.924 18107
5462 1 13 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.295 0.134 18107
5463 1 13 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.198 -0.411 18107
5464 1 13 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.629 0.582 18107
5465 1 13 . 1 1 13 13 PHE H H 30 8.066 8.066 8.030 0.036 18107
5466 1 13 . 1 1 14 14 LEU N N 31 119.404 119.404 118.671 0.733 18107
5467 1 13 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.865 -0.131 18107
5468 1 13 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.028 -0.264 18107
5469 1 13 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.446 -0.010 18107
5470 1 13 . 1 1 14 14 LEU H H 31 8.739 8.739 8.304 0.435 18107
5471 1 13 . 1 1 15 15 LEU N N 32 121.073 121.073 118.457 2.616 18107
5472 1 13 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.042 -0.082 18107
5473 1 13 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.864 0.468 18107
5474 1 13 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.157 0.805 18107
5475 1 13 . 1 1 15 15 LEU H H 32 7.736 7.736 7.718 0.018 18107
5476 1 13 . 1 1 16 16 HIS N N 33 118.629 118.629 119.597 -0.968 18107
5477 1 13 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.348 -0.002 18107
5478 1 13 . 1 1 16 16 HIS CA C 33 59.645 59.645 57.676 1.969 18107
5479 1 13 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.520 0.781 18107
5480 1 13 . 1 1 16 16 HIS H H 33 7.681 7.681 8.281 -0.600 18107
5481 1 13 . 1 1 17 17 ILE N N 34 118.602 118.602 119.441 -0.839 18107
5482 1 13 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.479 0.326 18107
5483 1 13 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.138 -1.631 18107
5484 1 13 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.919 -0.473 18107
5485 1 13 . 1 1 17 17 ILE H H 34 8.502 8.502 8.506 -0.004 18107
5486 1 13 . 1 1 18 18 THR N N 35 117.776 117.776 116.178 1.598 18107
5487 1 13 . 1 1 18 18 THR HA H 35 4.116 4.116 3.848 0.268 18107
5488 1 13 . 1 1 18 18 THR CA C 35 68.694 68.694 67.660 1.034 18107
5489 1 13 . 1 1 18 18 THR CB C 35 68.694 68.694 68.676 0.018 18107
5490 1 13 . 1 1 18 18 THR H H 35 7.726 7.726 7.698 0.028 18107
5491 1 13 . 1 1 19 19 HIS N N 36 118.130 118.130 120.337 -2.207 18107
5492 1 13 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.318 0.083 18107
5493 1 13 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.173 0.613 18107
5494 1 13 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.681 -0.611 18107
5495 1 13 . 1 1 19 19 HIS H H 36 7.177 7.177 7.714 -0.537 18107
5496 1 13 . 1 1 20 20 GLU N N 37 119.301 119.301 118.907 0.394 18107
5497 1 13 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.062 -0.012 18107
5498 1 13 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.073 0.484 18107
5499 1 13 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.521 0.535 18107
5500 1 13 . 1 1 20 20 GLU H H 37 7.335 7.335 7.969 -0.634 18107
5501 1 13 . 1 1 21 21 VAL N N 38 122.744 122.744 119.575 3.169 18107
5502 1 13 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.622 -0.200 18107
5503 1 13 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.977 0.072 18107
5504 1 13 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.658 -0.285 18107
5505 1 13 . 1 1 21 21 VAL H H 38 8.385 8.385 7.821 0.564 18107
5506 1 13 . 1 1 22 22 ASP N N 39 120.471 120.471 120.167 0.304 18107
5507 1 13 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.401 -0.254 18107
5508 1 13 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.674 0.052 18107
5509 1 13 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.297 0.090 18107
5510 1 13 . 1 1 22 22 ASP H H 39 8.054 8.054 7.793 0.261 18107
5511 1 13 . 1 1 23 23 ASP N N 40 118.541 118.541 120.361 -1.820 18107
5512 1 13 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.454 -0.034 18107
5513 1 13 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.351 0.136 18107
5514 1 13 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.243 -0.069 18107
5515 1 13 . 1 1 23 23 ASP H H 40 7.587 7.587 7.822 -0.235 18107
5516 1 13 . 1 1 24 24 LEU N N 41 123.241 123.241 117.038 6.203 18107
5517 1 13 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.168 0.000 18107
5518 1 13 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.275 -0.568 18107
5519 1 13 . 1 1 24 24 LEU CB C 41 41.909 41.909 40.982 0.927 18107
5520 1 13 . 1 1 24 24 LEU H H 41 8.032 8.032 8.345 -0.313 18107
5521 1 13 . 1 1 25 25 GLU N N 42 117.508 117.508 119.907 -2.399 18107
5522 1 13 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.046 -0.126 18107
5523 1 13 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.331 -0.249 18107
5524 1 13 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.772 0.091 18107
5525 1 13 . 1 1 25 25 GLU H H 42 8.010 8.010 8.316 -0.306 18107
5526 1 13 . 1 1 26 26 LYS N N 43 117.032 117.032 115.311 1.721 18107
5527 1 13 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.391 -0.147 18107
5528 1 13 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.360 0.891 18107
5529 1 13 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.702 0.805 18107
5530 1 13 . 1 1 26 26 LYS H H 43 7.596 7.596 7.742 -0.146 18107
5531 1 13 . 1 1 27 27 THR N N 44 110.288 110.288 112.211 -1.923 18107
5532 1 13 . 1 1 27 27 THR HA H 44 4.271 4.271 4.443 -0.172 18107
5533 1 13 . 1 1 27 27 THR CA C 44 62.820 62.820 63.584 -0.764 18107
5534 1 13 . 1 1 27 27 THR CB C 44 70.733 70.733 70.175 0.558 18107
5535 1 13 . 1 1 27 27 THR H H 44 8.227 8.227 7.810 0.417 18107
5536 1 13 . 1 1 28 28 GLY N N 45 112.257 112.257 108.436 3.821 18107
5537 1 13 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.185 0.476 18107
5538 1 13 . 1 1 28 28 GLY H H 45 8.727 8.727 8.236 0.491 18107
5539 1 13 . 1 1 29 29 ASN N N 46 118.416 118.416 117.610 0.806 18107
5540 1 13 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.398 0.071 18107
5541 1 13 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.593 0.704 18107
5542 1 13 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.238 1.872 18107
5543 1 13 . 1 1 29 29 ASN H H 46 7.716 7.716 8.557 -0.841 18107
5544 1 13 . 1 1 30 30 LYS N N 47 126.481 126.481 118.843 7.638 18107
5545 1 13 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.169 -0.181 18107
5546 1 13 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.404 0.787 18107
5547 1 13 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.630 -0.117 18107
5548 1 13 . 1 1 30 30 LYS H H 47 8.770 8.770 8.326 0.444 18107
5549 1 13 . 1 1 31 31 ASP N N 48 121.710 121.710 114.827 6.883 18107
5550 1 13 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.762 -0.295 18107
5551 1 13 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.339 3.296 18107
5552 1 13 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.734 -1.290 18107
5553 1 13 . 1 1 31 31 ASP H H 48 8.229 8.229 8.163 0.066 18107
5554 1 13 . 1 1 32 32 GLU N N 49 121.695 121.695 121.480 0.215 18107
5555 1 13 . 1 1 32 32 GLU HA H 49 4.357 4.357 3.984 0.373 18107
5556 1 13 . 1 1 32 32 GLU H H 49 8.048 8.048 8.736 -0.688 18107
5557 1 13 . 1 1 33 33 LYS N N 50 120.099 120.099 121.012 -0.913 18107
5558 1 13 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.971 -0.320 18107
5559 1 13 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.244 0.593 18107
5560 1 13 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.123 0.844 18107
5561 1 13 . 1 1 33 33 LYS H H 50 7.975 7.975 7.679 0.296 18107
5562 1 13 . 1 1 34 34 ALA N N 51 118.238 118.238 120.289 -2.051 18107
5563 1 13 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.127 -0.138 18107
5564 1 13 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.917 0.476 18107
5565 1 13 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.047 0.165 18107
5566 1 13 . 1 1 34 34 ALA H H 51 7.614 7.614 8.378 -0.764 18107
5567 1 13 . 1 1 35 35 ARG N N 52 120.311 120.311 119.393 0.918 18107
5568 1 13 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.067 1.824 18107
5569 1 13 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.595 0.455 18107
5570 1 13 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.429 -0.018 18107
5571 1 13 . 1 1 35 35 ARG H H 52 7.883 7.883 7.816 0.067 18107
5572 1 13 . 1 1 36 36 LEU N N 53 119.541 119.541 118.920 0.621 18107
5573 1 13 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.221 -0.275 18107
5574 1 13 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.710 0.779 18107
5575 1 13 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.381 1.061 18107
5576 1 13 . 1 1 36 36 LEU H H 53 8.553 8.553 8.500 0.053 18107
5577 1 13 . 1 1 37 37 LEU N N 54 117.789 117.789 120.401 -2.612 18107
5578 1 13 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.818 0.247 18107
5579 1 13 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.081 0.560 18107
5580 1 13 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.479 -0.160 18107
5581 1 13 . 1 1 37 37 LEU H H 54 8.341 8.341 8.202 0.139 18107
5582 1 13 . 1 1 38 38 ARG N N 55 121.176 121.176 119.140 2.036 18107
5583 1 13 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.005 0.063 18107
5584 1 13 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.825 1.500 18107
5585 1 13 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.863 0.207 18107
5586 1 13 . 1 1 38 38 ARG H H 55 7.864 7.864 7.809 0.055 18107
5587 1 13 . 1 1 39 39 GLU N N 56 119.256 119.256 120.531 -1.275 18107
5588 1 13 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.072 -0.012 18107
5589 1 13 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.898 -0.004 18107
5590 1 13 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.517 0.384 18107
5591 1 13 . 1 1 39 39 GLU H H 56 8.390 8.390 7.735 0.655 18107
5592 1 13 . 1 1 40 40 LEU N N 57 120.312 120.312 116.968 3.344 18107
5593 1 13 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.209 -0.081 18107
5594 1 13 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.353 0.268 18107
5595 1 13 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.384 0.845 18107
5596 1 13 . 1 1 40 40 LEU H H 57 8.802 8.802 8.128 0.674 18107
5597 1 13 . 1 1 41 41 THR N N 58 117.791 117.791 117.219 0.572 18107
5598 1 13 . 1 1 41 41 THR HA H 58 4.341 4.341 3.880 0.461 18107
5599 1 13 . 1 1 41 41 THR CA C 58 67.542 67.542 66.776 0.766 18107
5600 1 13 . 1 1 41 41 THR CB C 58 69.157 69.157 68.415 0.742 18107
5601 1 13 . 1 1 41 41 THR H H 58 8.182 8.182 7.942 0.240 18107
5602 1 13 . 1 1 42 42 VAL N N 59 123.554 123.554 121.024 2.530 18107
5603 1 13 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.633 0.090 18107
5604 1 13 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.616 1.239 18107
5605 1 13 . 1 1 42 42 VAL H H 59 7.978 7.978 8.455 -0.477 18107
5606 1 13 . 1 1 43 43 SER N N 60 116.859 116.859 114.713 2.146 18107
5607 1 13 . 1 1 43 43 SER HA H 60 4.155 4.155 2.180 1.975 18107
5608 1 13 . 1 1 43 43 SER CA C 60 63.412 63.412 61.288 2.124 18107
5609 1 13 . 1 1 43 43 SER H H 60 7.715 7.715 7.627 0.088 18107
5610 1 13 . 1 1 44 44 GLU N N 61 124.072 124.072 120.895 3.177 18107
5611 1 13 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.889 -0.263 18107
5612 1 13 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.919 1.583 18107
5613 1 13 . 1 1 44 44 GLU CB C 61 29.794 29.794 28.923 0.871 18107
5614 1 13 . 1 1 44 44 GLU H H 61 8.517 8.517 8.114 0.403 18107
5615 1 13 . 1 1 45 45 ALA N N 62 120.467 120.467 122.028 -1.561 18107
5616 1 13 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.062 0.087 18107
5617 1 13 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.611 0.615 18107
5618 1 13 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.417 -0.572 18107
5619 1 13 . 1 1 45 45 ALA H H 62 7.853 7.853 7.420 0.433 18107
5620 1 13 . 1 1 46 46 PHE N N 63 119.936 119.936 116.783 3.153 18107
5621 1 13 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.265 0.000 18107
5622 1 13 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.689 2.847 18107
5623 1 13 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.653 1.539 18107
5624 1 13 . 1 1 46 46 PHE H H 63 7.946 7.946 7.025 0.921 18107
5625 1 13 . 1 1 47 47 ILE N N 64 122.630 122.630 121.339 1.291 18107
5626 1 13 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.657 -0.037 18107
5627 1 13 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.614 2.744 18107
5628 1 13 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.958 1.423 18107
5629 1 13 . 1 1 47 47 ILE H H 64 8.595 8.595 8.010 0.585 18107
5630 1 13 . 1 1 48 48 GLU N N 65 120.257 120.257 119.607 0.650 18107
5631 1 13 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.904 0.685 18107
5632 1 13 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.628 -0.272 18107
5633 1 13 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.474 0.128 18107
5634 1 13 . 1 1 48 48 GLU H H 65 9.078 9.078 8.012 1.066 18107
5635 1 13 . 1 1 49 49 GLY N N 66 108.368 108.368 106.957 1.411 18107
5636 1 13 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.733 0.420 18107
5637 1 13 . 1 1 49 49 GLY H H 66 8.379 8.379 8.286 0.093 18107
5638 1 13 . 1 1 50 50 SER N N 67 119.358 119.358 117.945 1.413 18107
5639 1 13 . 1 1 50 50 SER HA H 67 3.988 3.988 4.003 -0.015 18107
5640 1 13 . 1 1 50 50 SER CA C 67 62.501 62.501 61.148 1.353 18107
5641 1 13 . 1 1 50 50 SER CB C 67 63.441 63.441 63.224 0.217 18107
5642 1 13 . 1 1 50 50 SER H H 67 7.694 7.694 8.110 -0.416 18107
5643 1 13 . 1 1 51 51 ARG N N 68 121.212 121.212 120.983 0.229 18107
5644 1 13 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.332 -0.424 18107
5645 1 13 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.813 2.228 18107
5646 1 13 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.670 1.087 18107
5647 1 13 . 1 1 51 51 ARG H H 68 8.684 8.684 8.015 0.669 18107
5648 1 13 . 1 1 52 52 GLY N N 69 124.556 124.556 107.095 17.461 18107
5649 1 13 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.673 0.590 18107
5650 1 13 . 1 1 52 52 GLY H H 69 8.068 8.068 8.279 -0.211 18107
5651 1 13 . 1 1 53 53 TYR N N 70 123.123 123.123 123.387 -0.264 18107
5652 1 13 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.132 -0.063 18107
5653 1 13 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.439 -0.619 18107
5654 1 13 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.518 -0.771 18107
5655 1 13 . 1 1 53 53 TYR H H 70 7.337 7.337 7.627 -0.290 18107
5656 1 13 . 1 1 54 54 PHE N N 71 117.809 117.809 118.405 -0.596 18107
5657 1 13 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.017 -0.350 18107
5658 1 13 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.398 0.091 18107
5659 1 13 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.934 0.815 18107
5660 1 13 . 1 1 54 54 PHE H H 71 7.965 7.965 7.621 0.344 18107
5661 1 13 . 1 1 55 55 GLN N N 72 115.519 115.519 118.780 -3.261 18107
5662 1 13 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.083 -0.225 18107
5663 1 13 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.133 0.475 18107
5664 1 13 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.750 0.246 18107
5665 1 13 . 1 1 55 55 GLN H H 72 8.522 8.522 7.891 0.631 18107
5666 1 13 . 1 1 56 56 ARG N N 73 118.947 118.947 118.105 0.842 18107
5667 1 13 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.077 -0.205 18107
5668 1 13 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.853 1.068 18107
5669 1 13 . 1 1 56 56 ARG CB C 73 30.086 30.086 30.095 -0.009 18107
5670 1 13 . 1 1 56 56 ARG H H 73 7.677 7.677 7.718 -0.041 18107
5671 1 13 . 1 1 57 57 GLU N N 74 121.204 121.204 121.798 -0.594 18107
5672 1 13 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.942 -0.260 18107
5673 1 13 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.064 -0.130 18107
5674 1 13 . 1 1 57 57 GLU CB C 74 29.693 29.693 29.053 0.640 18107
5675 1 13 . 1 1 57 57 GLU H H 74 7.897 7.897 8.245 -0.348 18107
5676 1 13 . 1 1 58 58 LEU N N 75 115.348 115.348 118.603 -3.255 18107
5677 1 13 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.183 -0.123 18107
5678 1 13 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.692 -0.798 18107
5679 1 13 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.232 0.098 18107
5680 1 13 . 1 1 58 58 LEU H H 75 7.746 7.746 7.734 0.012 18107
5681 1 13 . 1 1 59 59 LYS N N 76 117.429 117.429 115.673 1.756 18107
5682 1 13 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.278 -0.078 18107
5683 1 13 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.729 -0.121 18107
5684 1 13 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.283 0.600 18107
5685 1 13 . 1 1 59 59 LYS H H 76 7.233 7.233 7.715 -0.482 18107
5686 1 13 . 1 1 60 60 ARG N N 77 120.555 120.555 119.183 1.372 18107
5687 1 13 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.066 0.060 18107
5688 1 13 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.575 -0.876 18107
5689 1 13 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.444 1.354 18107
5690 1 13 . 1 1 60 60 ARG H H 77 7.701 7.701 7.867 -0.166 18107
5691 1 13 . 1 1 61 61 THR N N 78 111.768 111.768 107.764 4.004 18107
5692 1 13 . 1 1 61 61 THR HA H 78 4.414 4.414 4.082 0.332 18107
5693 1 13 . 1 1 61 61 THR CA C 78 62.557 62.557 64.325 -1.768 18107
5694 1 13 . 1 1 61 61 THR CB C 78 69.221 69.221 67.525 1.696 18107
5695 1 13 . 1 1 61 61 THR H H 78 8.638 8.638 8.146 0.492 18107
5696 1 13 . 1 1 62 62 ASP N N 79 120.616 120.616 120.248 0.368 18107
5697 1 13 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.845 -0.213 18107
5698 1 13 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.301 -1.339 18107
5699 1 13 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.251 -1.005 18107
5700 1 13 . 1 1 62 62 ASP H H 79 8.465 8.465 8.507 -0.042 18107
5701 1 13 . 1 1 63 63 LEU N N 80 120.063 120.063 115.764 4.299 18107
5702 1 13 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.887 -0.642 18107
5703 1 13 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.748 1.464 18107
5704 1 13 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.375 -1.580 18107
5705 1 13 . 1 1 63 63 LEU H H 80 7.157 7.157 7.324 -0.167 18107
5706 1 13 . 1 1 64 64 ASP N N 81 125.396 125.396 121.950 3.446 18107
5707 1 13 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.964 -0.395 18107
5708 1 13 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.379 0.598 18107
5709 1 13 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.170 -0.370 18107
5710 1 13 . 1 1 64 64 ASP H H 81 8.926 8.926 8.193 0.733 18107
5711 1 13 . 1 1 65 65 LEU N N 82 122.508 122.508 119.579 2.929 18107
5712 1 13 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.277 -0.439 18107
5713 1 13 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.960 0.861 18107
5714 1 13 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.802 0.393 18107
5715 1 13 . 1 1 65 65 LEU H H 82 8.281 8.281 8.248 0.033 18107
5716 1 13 . 1 1 66 66 LEU N N 83 119.413 119.413 120.364 -0.951 18107
5717 1 13 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.993 0.079 18107
5718 1 13 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.239 -0.211 18107
5719 1 13 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.159 1.192 18107
5720 1 13 . 1 1 66 66 LEU H H 83 8.149 8.149 8.090 0.059 18107
5721 1 13 . 1 1 67 67 GLU N N 84 119.941 119.941 118.473 1.468 18107
5722 1 13 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.769 0.077 18107
5723 1 13 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.584 -1.061 18107
5724 1 13 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.191 1.022 18107
5725 1 13 . 1 1 67 67 GLU H H 84 7.725 7.725 8.472 -0.747 18107
5726 1 13 . 1 1 68 68 LYS N N 85 119.400 119.400 120.031 -0.631 18107
5727 1 13 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.808 -0.007 18107
5728 1 13 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.220 1.600 18107
5729 1 13 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.388 0.527 18107
5730 1 13 . 1 1 68 68 LYS H H 85 8.117 8.117 8.199 -0.082 18107
5731 1 13 . 1 1 69 69 PHE N N 86 117.969 117.969 119.407 -1.438 18107
5732 1 13 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.156 0.133 18107
5733 1 13 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.299 -0.430 18107
5734 1 13 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.832 -0.077 18107
5735 1 13 . 1 1 69 69 PHE H H 86 7.975 7.975 8.192 -0.217 18107
5736 1 13 . 1 1 70 70 ASN N N 87 118.904 118.904 118.137 0.767 18107
5737 1 13 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.426 -0.065 18107
5738 1 13 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.880 -0.612 18107
5739 1 13 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.251 -0.153 18107
5740 1 13 . 1 1 70 70 ASN H H 87 8.259 8.259 7.408 0.851 18107
5741 1 13 . 1 1 71 71 PHE N N 88 121.068 121.068 118.495 2.573 18107
5742 1 13 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.141 1.125 18107
5743 1 13 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.303 1.484 18107
5744 1 13 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.121 0.909 18107
5745 1 13 . 1 1 71 71 PHE H H 88 8.618 8.618 7.456 1.162 18107
5746 1 13 . 1 1 72 72 GLU N N 89 120.500 120.500 119.447 1.053 18107
5747 1 13 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.929 -0.076 18107
5748 1 13 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.389 1.108 18107
5749 1 13 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.120 0.391 18107
5750 1 13 . 1 1 72 72 GLU H H 89 8.709 8.709 8.626 0.083 18107
5751 1 13 . 1 1 73 73 ALA N N 90 123.117 123.117 121.931 1.186 18107
5752 1 13 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.948 0.090 18107
5753 1 13 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.745 0.256 18107
5754 1 13 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.014 -0.066 18107
5755 1 13 . 1 1 73 73 ALA H H 90 8.158 8.158 7.855 0.303 18107
5756 1 13 . 1 1 74 74 ALA N N 91 122.919 122.919 121.154 1.765 18107
5757 1 13 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.117 -0.166 18107
5758 1 13 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.533 0.746 18107
5759 1 13 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.353 -0.687 18107
5760 1 13 . 1 1 74 74 ALA H H 91 7.841 7.841 8.061 -0.220 18107
5761 1 13 . 1 1 75 75 LEU N N 92 119.956 119.956 119.681 0.275 18107
5762 1 13 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.183 -0.136 18107
5763 1 13 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.181 0.278 18107
5764 1 13 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.772 0.387 18107
5765 1 13 . 1 1 75 75 LEU H H 92 8.091 8.091 8.404 -0.313 18107
5766 1 13 . 1 1 76 76 ALA N N 93 120.763 120.763 120.968 -0.205 18107
5767 1 13 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.091 0.039 18107
5768 1 13 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.260 0.144 18107
5769 1 13 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.119 -0.249 18107
5770 1 13 . 1 1 76 76 ALA H H 93 7.774 7.774 7.803 -0.029 18107
5771 1 13 . 1 1 77 77 THR N N 94 117.510 117.510 115.754 1.756 18107
5772 1 13 . 1 1 77 77 THR HA H 94 4.234 4.234 4.001 0.233 18107
5773 1 13 . 1 1 77 77 THR CA C 94 67.364 67.364 67.218 0.146 18107
5774 1 13 . 1 1 77 77 THR CB C 94 68.779 68.779 68.900 -0.121 18107
5775 1 13 . 1 1 77 77 THR H H 94 8.188 8.188 7.792 0.396 18107
5776 1 13 . 1 1 78 78 GLY N N 95 110.009 110.009 109.672 0.337 18107
5777 1 13 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.834 1.316 18107
5778 1 13 . 1 1 78 78 GLY H H 95 8.547 8.547 8.775 -0.228 18107
5779 1 13 . 1 1 79 79 ASP N N 96 121.634 121.634 123.170 -1.536 18107
5780 1 13 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.409 -0.141 18107
5781 1 13 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.759 0.177 18107
5782 1 13 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.548 0.092 18107
5783 1 13 . 1 1 79 79 ASP H H 96 8.548 8.548 8.078 0.470 18107
5784 1 13 . 1 1 80 80 LEU N N 97 122.599 122.599 119.266 3.333 18107
5785 1 13 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.045 -0.037 18107
5786 1 13 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.855 0.588 18107
5787 1 13 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.059 -0.130 18107
5788 1 13 . 1 1 80 80 LEU H H 97 7.618 7.618 7.781 -0.163 18107
5789 1 13 . 1 1 81 81 LEU N N 98 119.913 119.913 117.723 2.190 18107
5790 1 13 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.116 -0.085 18107
5791 1 13 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.077 -0.269 18107
5792 1 13 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.276 1.085 18107
5793 1 13 . 1 1 81 81 LEU H H 98 8.224 8.224 7.802 0.422 18107
5794 1 13 . 1 1 82 82 LEU N N 99 118.616 118.616 121.059 -2.443 18107
5795 1 13 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.841 0.134 18107
5796 1 13 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.001 0.068 18107
5797 1 13 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.673 0.492 18107
5798 1 13 . 1 1 82 82 LEU H H 99 8.359 8.359 8.576 -0.217 18107
5799 1 13 . 1 1 83 83 LYS N N 100 118.988 118.988 118.994 -0.006 18107
5800 1 13 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.948 -0.064 18107
5801 1 13 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.051 0.216 18107
5802 1 13 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.121 0.050 18107
5803 1 13 . 1 1 83 83 LYS H H 100 7.566 7.566 7.949 -0.383 18107
5804 1 13 . 1 1 84 84 ASP N N 101 121.591 121.591 120.595 0.996 18107
5805 1 13 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.480 -0.083 18107
5806 1 13 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.771 0.925 18107
5807 1 13 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.829 -0.424 18107
5808 1 13 . 1 1 84 84 ASP H H 101 7.743 7.743 7.875 -0.132 18107
5809 1 13 . 1 1 85 85 LEU N N 102 123.215 123.215 120.992 2.223 18107
5810 1 13 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.831 0.019 18107
5811 1 13 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.637 1.204 18107
5812 1 13 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.896 0.676 18107
5813 1 13 . 1 1 85 85 LEU H H 102 8.760 8.760 8.362 0.398 18107
5814 1 13 . 1 1 86 86 LYS N N 103 119.648 119.648 119.375 0.273 18107
5815 1 13 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.986 0.082 18107
5816 1 13 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.417 -0.625 18107
5817 1 13 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.388 -1.256 18107
5818 1 13 . 1 1 86 86 LYS H H 103 8.883 8.883 7.791 1.092 18107
5819 1 13 . 1 1 87 87 ALA N N 104 122.844 122.844 121.645 1.199 18107
5820 1 13 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.153 0.007 18107
5821 1 13 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.814 0.486 18107
5822 1 13 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.291 -0.271 18107
5823 1 13 . 1 1 87 87 ALA H H 104 7.721 7.721 7.641 0.080 18107
5824 1 13 . 1 1 88 88 LEU N N 105 120.380 120.380 118.680 1.700 18107
5825 1 13 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.014 -0.022 18107
5826 1 13 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.044 0.142 18107
5827 1 13 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.170 1.633 18107
5828 1 13 . 1 1 88 88 LEU H H 105 7.762 7.762 8.339 -0.577 18107
5829 1 13 . 1 1 89 89 GLN N N 106 118.781 118.781 119.382 -0.601 18107
5830 1 13 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.931 -0.346 18107
5831 1 13 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.677 0.300 18107
5832 1 13 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.352 1.275 18107
5833 1 13 . 1 1 89 89 GLN H H 106 8.658 8.658 8.331 0.327 18107
5834 1 13 . 1 1 90 90 LYS N N 107 118.977 118.977 120.274 -1.297 18107
5835 1 13 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.075 -0.127 18107
5836 1 13 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.649 0.846 18107
5837 1 13 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.050 0.373 18107
5838 1 13 . 1 1 90 90 LYS H H 107 7.786 7.786 7.711 0.075 18107
5839 1 13 . 1 1 91 91 ARG N N 108 117.470 117.470 120.404 -2.934 18107
5840 1 13 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.064 -0.061 18107
5841 1 13 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.792 -0.210 18107
5842 1 13 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.294 1.334 18107
5843 1 13 . 1 1 91 91 ARG H H 108 7.469 7.469 7.639 -0.170 18107
5844 1 13 . 1 1 92 92 VAL N N 109 117.865 117.865 118.745 -0.880 18107
5845 1 13 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.803 -0.321 18107
5846 1 13 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.522 1.089 18107
5847 1 13 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.446 0.765 18107
5848 1 13 . 1 1 92 92 VAL H H 109 8.084 8.084 8.318 -0.234 18107
5849 1 13 . 1 1 93 93 GLN N N 110 119.617 119.617 117.469 2.148 18107
5850 1 13 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.088 -0.212 18107
5851 1 13 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.355 0.879 18107
5852 1 13 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.988 0.037 18107
5853 1 13 . 1 1 93 93 GLN H H 110 8.512 8.512 8.223 0.289 18107
5854 1 13 . 1 1 94 94 ASP N N 111 117.490 117.490 118.357 -0.867 18107
5855 1 13 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.590 -0.099 18107
5856 1 13 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.880 -0.599 18107
5857 1 13 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.614 -0.779 18107
5858 1 13 . 1 1 94 94 ASP H H 111 8.194 8.194 7.701 0.493 18107
5859 1 13 . 1 1 95 95 SER N N 112 116.625 116.625 113.300 3.325 18107
5860 1 13 . 1 1 95 95 SER HA H 112 4.288 4.288 4.008 0.280 18107
5861 1 13 . 1 1 95 95 SER CA C 112 59.770 59.770 60.580 -0.810 18107
5862 1 13 . 1 1 95 95 SER CB C 112 63.990 63.990 62.713 1.277 18107
5863 1 13 . 1 1 95 95 SER H H 112 7.479 7.479 8.561 -1.082 18107
5864 1 14 . 1 1 2 2 THR HA H 19 4.222 4.222 4.033 0.189 18107
5865 1 14 . 1 1 2 2 THR CA C 19 63.013 63.013 65.373 -2.360 18107
5866 1 14 . 1 1 2 2 THR CB C 19 69.504 69.504 68.261 1.243 18107
5867 1 14 . 1 1 3 3 ALA N N 20 125.065 125.065 124.047 1.018 18107
5868 1 14 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.695 0.455 18107
5869 1 14 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.817 0.139 18107
5870 1 14 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.690 1.307 18107
5871 1 14 . 1 1 3 3 ALA H H 20 8.404 8.404 8.331 0.073 18107
5872 1 14 . 1 1 4 4 THR N N 21 109.840 109.840 112.126 -2.286 18107
5873 1 14 . 1 1 4 4 THR HA H 21 4.235 4.235 3.944 0.291 18107
5874 1 14 . 1 1 4 4 THR CA C 21 64.668 64.668 64.754 -0.087 18107
5875 1 14 . 1 1 4 4 THR CB C 21 68.923 68.923 67.918 1.005 18107
5876 1 14 . 1 1 4 4 THR H H 21 7.910 7.910 8.045 -0.135 18107
5877 1 14 . 1 1 5 5 GLN N N 22 122.037 122.037 120.609 1.428 18107
5878 1 14 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.094 -0.043 18107
5879 1 14 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.686 -0.522 18107
5880 1 14 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.001 0.556 18107
5881 1 14 . 1 1 5 5 GLN H H 22 7.953 7.953 7.632 0.321 18107
5882 1 14 . 1 1 6 6 ARG N N 23 118.944 118.944 119.516 -0.572 18107
5883 1 14 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.139 -0.033 18107
5884 1 14 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.807 -0.715 18107
5885 1 14 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.368 -0.221 18107
5886 1 14 . 1 1 6 6 ARG H H 23 7.922 7.922 7.610 0.312 18107
5887 1 14 . 1 1 7 7 PHE N N 24 116.543 116.543 114.825 1.718 18107
5888 1 14 . 1 1 7 7 PHE H H 24 8.276 8.276 7.630 0.646 18107
5889 1 14 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.472 0.023 18107
5890 1 14 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.802 1.218 18107
5891 1 14 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.880 -0.827 18107
5892 1 14 . 1 1 9 9 GLU N N 26 118.298 118.298 119.997 -1.699 18107
5893 1 14 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.066 -0.076 18107
5894 1 14 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.710 -0.332 18107
5895 1 14 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.122 0.190 18107
5896 1 14 . 1 1 9 9 GLU H H 26 8.148 8.148 8.536 -0.388 18107
5897 1 14 . 1 1 10 10 ILE N N 27 121.761 121.761 116.148 5.613 18107
5898 1 14 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.924 0.040 18107
5899 1 14 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.127 0.336 18107
5900 1 14 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.523 0.727 18107
5901 1 14 . 1 1 10 10 ILE H H 27 8.165 8.165 8.026 0.139 18107
5902 1 14 . 1 1 11 11 GLU N N 28 122.042 122.042 121.027 1.015 18107
5903 1 14 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.111 -0.274 18107
5904 1 14 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.801 0.827 18107
5905 1 14 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.396 0.610 18107
5906 1 14 . 1 1 11 11 GLU H H 28 8.541 8.541 7.875 0.666 18107
5907 1 14 . 1 1 12 12 LYS N N 29 117.967 117.967 119.164 -1.197 18107
5908 1 14 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.075 -0.133 18107
5909 1 14 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.239 0.502 18107
5910 1 14 . 1 1 12 12 LYS CB C 29 32.452 32.452 31.959 0.493 18107
5911 1 14 . 1 1 12 12 LYS H H 29 7.517 7.517 8.198 -0.681 18107
5912 1 14 . 1 1 13 13 PHE N N 30 122.144 122.144 120.288 1.856 18107
5913 1 14 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.418 0.011 18107
5914 1 14 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.604 0.183 18107
5915 1 14 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.803 0.408 18107
5916 1 14 . 1 1 13 13 PHE H H 30 8.066 8.066 7.988 0.078 18107
5917 1 14 . 1 1 14 14 LEU N N 31 119.404 119.404 121.062 -1.658 18107
5918 1 14 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.975 -0.241 18107
5919 1 14 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.565 -0.801 18107
5920 1 14 . 1 1 14 14 LEU CB C 31 41.436 41.436 42.006 -0.570 18107
5921 1 14 . 1 1 14 14 LEU H H 31 8.739 8.739 8.487 0.252 18107
5922 1 14 . 1 1 15 15 LEU N N 32 121.073 121.073 117.279 3.794 18107
5923 1 14 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.151 -0.191 18107
5924 1 14 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.332 -0.000 18107
5925 1 14 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.084 0.878 18107
5926 1 14 . 1 1 15 15 LEU H H 32 7.736 7.736 7.723 0.013 18107
5927 1 14 . 1 1 16 16 HIS N N 33 118.629 118.629 118.963 -0.334 18107
5928 1 14 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.344 0.002 18107
5929 1 14 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.288 1.357 18107
5930 1 14 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.893 0.408 18107
5931 1 14 . 1 1 16 16 HIS H H 33 7.681 7.681 7.846 -0.165 18107
5932 1 14 . 1 1 17 17 ILE N N 34 118.602 118.602 120.220 -1.618 18107
5933 1 14 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.640 0.165 18107
5934 1 14 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.933 -1.426 18107
5935 1 14 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.935 -0.490 18107
5936 1 14 . 1 1 17 17 ILE H H 34 8.502 8.502 8.643 -0.141 18107
5937 1 14 . 1 1 18 18 THR N N 35 117.776 117.776 115.786 1.990 18107
5938 1 14 . 1 1 18 18 THR HA H 35 4.116 4.116 3.893 0.223 18107
5939 1 14 . 1 1 18 18 THR CA C 35 68.694 68.694 67.789 0.905 18107
5940 1 14 . 1 1 18 18 THR CB C 35 68.694 68.694 68.479 0.215 18107
5941 1 14 . 1 1 18 18 THR H H 35 7.726 7.726 7.866 -0.140 18107
5942 1 14 . 1 1 19 19 HIS N N 36 118.130 118.130 120.449 -2.319 18107
5943 1 14 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.254 0.147 18107
5944 1 14 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.996 -1.210 18107
5945 1 14 . 1 1 19 19 HIS CB C 36 29.070 29.070 30.070 -1.000 18107
5946 1 14 . 1 1 19 19 HIS H H 36 7.177 7.177 7.898 -0.721 18107
5947 1 14 . 1 1 20 20 GLU N N 37 119.301 119.301 118.351 0.950 18107
5948 1 14 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.168 -0.118 18107
5949 1 14 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.438 0.118 18107
5950 1 14 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.568 0.488 18107
5951 1 14 . 1 1 20 20 GLU H H 37 7.335 7.335 7.942 -0.607 18107
5952 1 14 . 1 1 21 21 VAL N N 38 122.744 122.744 119.590 3.154 18107
5953 1 14 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.618 -0.196 18107
5954 1 14 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.656 0.393 18107
5955 1 14 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.744 -0.371 18107
5956 1 14 . 1 1 21 21 VAL H H 38 8.385 8.385 7.676 0.709 18107
5957 1 14 . 1 1 22 22 ASP N N 39 120.471 120.471 119.997 0.474 18107
5958 1 14 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.323 -0.176 18107
5959 1 14 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.893 -0.167 18107
5960 1 14 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.666 -0.279 18107
5961 1 14 . 1 1 22 22 ASP H H 39 8.054 8.054 7.750 0.304 18107
5962 1 14 . 1 1 23 23 ASP N N 40 118.541 118.541 120.031 -1.490 18107
5963 1 14 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.356 0.064 18107
5964 1 14 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.704 -0.217 18107
5965 1 14 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.989 0.185 18107
5966 1 14 . 1 1 23 23 ASP H H 40 7.587 7.587 7.830 -0.243 18107
5967 1 14 . 1 1 24 24 LEU N N 41 123.241 123.241 116.511 6.730 18107
5968 1 14 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.219 -0.051 18107
5969 1 14 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.784 -0.077 18107
5970 1 14 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.117 0.792 18107
5971 1 14 . 1 1 24 24 LEU H H 41 8.032 8.032 8.195 -0.163 18107
5972 1 14 . 1 1 25 25 GLU N N 42 117.508 117.508 119.920 -2.412 18107
5973 1 14 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.040 -0.120 18107
5974 1 14 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.155 -0.073 18107
5975 1 14 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.655 0.208 18107
5976 1 14 . 1 1 25 25 GLU H H 42 8.010 8.010 8.264 -0.254 18107
5977 1 14 . 1 1 26 26 LYS N N 43 117.032 117.032 115.559 1.473 18107
5978 1 14 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.351 -0.108 18107
5979 1 14 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.575 0.675 18107
5980 1 14 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.357 1.150 18107
5981 1 14 . 1 1 26 26 LYS H H 43 7.596 7.596 7.700 -0.104 18107
5982 1 14 . 1 1 27 27 THR N N 44 110.288 110.288 111.932 -1.644 18107
5983 1 14 . 1 1 27 27 THR HA H 44 4.271 4.271 4.419 -0.148 18107
5984 1 14 . 1 1 27 27 THR CA C 44 62.820 62.820 63.224 -0.404 18107
5985 1 14 . 1 1 27 27 THR CB C 44 70.733 70.733 69.939 0.794 18107
5986 1 14 . 1 1 27 27 THR H H 44 8.227 8.227 7.267 0.960 18107
5987 1 14 . 1 1 28 28 GLY N N 45 112.257 112.257 107.810 4.447 18107
5988 1 14 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.252 0.409 18107
5989 1 14 . 1 1 28 28 GLY H H 45 8.727 8.727 8.296 0.431 18107
5990 1 14 . 1 1 29 29 ASN N N 46 118.416 118.416 117.268 1.148 18107
5991 1 14 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.259 0.210 18107
5992 1 14 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.843 0.454 18107
5993 1 14 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.621 2.489 18107
5994 1 14 . 1 1 29 29 ASN H H 46 7.716 7.716 8.704 -0.988 18107
5995 1 14 . 1 1 30 30 LYS N N 47 126.481 126.481 119.188 7.293 18107
5996 1 14 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.032 -0.044 18107
5997 1 14 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.575 0.616 18107
5998 1 14 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.603 -0.090 18107
5999 1 14 . 1 1 30 30 LYS H H 47 8.770 8.770 8.523 0.247 18107
6000 1 14 . 1 1 31 31 ASP N N 48 121.710 121.710 114.958 6.752 18107
6001 1 14 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.796 -0.329 18107
6002 1 14 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.135 3.500 18107
6003 1 14 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.627 -1.183 18107
6004 1 14 . 1 1 31 31 ASP H H 48 8.229 8.229 8.107 0.122 18107
6005 1 14 . 1 1 32 32 GLU N N 49 121.695 121.695 120.161 1.534 18107
6006 1 14 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.057 0.300 18107
6007 1 14 . 1 1 32 32 GLU H H 49 8.048 8.048 8.630 -0.582 18107
6008 1 14 . 1 1 33 33 LYS N N 50 120.099 120.099 119.897 0.202 18107
6009 1 14 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.925 -0.274 18107
6010 1 14 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.489 0.348 18107
6011 1 14 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.736 1.230 18107
6012 1 14 . 1 1 33 33 LYS H H 50 7.975 7.975 8.516 -0.541 18107
6013 1 14 . 1 1 34 34 ALA N N 51 118.238 118.238 119.914 -1.676 18107
6014 1 14 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.005 -0.016 18107
6015 1 14 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.990 0.403 18107
6016 1 14 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.331 -0.119 18107
6017 1 14 . 1 1 34 34 ALA H H 51 7.614 7.614 8.355 -0.741 18107
6018 1 14 . 1 1 35 35 ARG N N 52 120.311 120.311 119.573 0.738 18107
6019 1 14 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.126 1.765 18107
6020 1 14 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.300 1.750 18107
6021 1 14 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.027 0.384 18107
6022 1 14 . 1 1 35 35 ARG H H 52 7.883 7.883 7.740 0.143 18107
6023 1 14 . 1 1 36 36 LEU N N 53 119.541 119.541 119.515 0.026 18107
6024 1 14 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.183 -0.237 18107
6025 1 14 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.263 0.226 18107
6026 1 14 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.199 1.243 18107
6027 1 14 . 1 1 36 36 LEU H H 53 8.553 8.553 8.625 -0.072 18107
6028 1 14 . 1 1 37 37 LEU N N 54 117.789 117.789 120.334 -2.545 18107
6029 1 14 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.852 0.213 18107
6030 1 14 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.183 0.459 18107
6031 1 14 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.352 -0.033 18107
6032 1 14 . 1 1 37 37 LEU H H 54 8.341 8.341 8.318 0.023 18107
6033 1 14 . 1 1 38 38 ARG N N 55 121.176 121.176 117.989 3.187 18107
6034 1 14 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.061 0.007 18107
6035 1 14 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.114 1.211 18107
6036 1 14 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.941 0.129 18107
6037 1 14 . 1 1 38 38 ARG H H 55 7.864 7.864 7.773 0.091 18107
6038 1 14 . 1 1 39 39 GLU N N 56 119.256 119.256 120.177 -0.921 18107
6039 1 14 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.117 -0.057 18107
6040 1 14 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.567 0.327 18107
6041 1 14 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.315 0.586 18107
6042 1 14 . 1 1 39 39 GLU H H 56 8.390 8.390 7.755 0.635 18107
6043 1 14 . 1 1 40 40 LEU N N 57 120.312 120.312 118.296 2.016 18107
6044 1 14 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.211 -0.083 18107
6045 1 14 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.230 0.391 18107
6046 1 14 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.344 0.885 18107
6047 1 14 . 1 1 40 40 LEU H H 57 8.802 8.802 8.230 0.572 18107
6048 1 14 . 1 1 41 41 THR N N 58 117.791 117.791 117.429 0.362 18107
6049 1 14 . 1 1 41 41 THR HA H 58 4.341 4.341 3.808 0.533 18107
6050 1 14 . 1 1 41 41 THR CA C 58 67.542 67.542 67.130 0.412 18107
6051 1 14 . 1 1 41 41 THR CB C 58 69.157 69.157 68.642 0.515 18107
6052 1 14 . 1 1 41 41 THR H H 58 8.182 8.182 7.863 0.319 18107
6053 1 14 . 1 1 42 42 VAL N N 59 123.554 123.554 121.207 2.347 18107
6054 1 14 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.560 0.163 18107
6055 1 14 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.761 0.094 18107
6056 1 14 . 1 1 42 42 VAL H H 59 7.978 7.978 8.440 -0.462 18107
6057 1 14 . 1 1 43 43 SER N N 60 116.859 116.859 114.457 2.402 18107
6058 1 14 . 1 1 43 43 SER HA H 60 4.155 4.155 1.064 3.091 18107
6059 1 14 . 1 1 43 43 SER CA C 60 63.412 63.412 61.131 2.281 18107
6060 1 14 . 1 1 43 43 SER H H 60 7.715 7.715 7.530 0.185 18107
6061 1 14 . 1 1 44 44 GLU N N 61 124.072 124.072 120.436 3.636 18107
6062 1 14 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.784 -0.158 18107
6063 1 14 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.081 1.421 18107
6064 1 14 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.488 0.306 18107
6065 1 14 . 1 1 44 44 GLU H H 61 8.517 8.517 8.079 0.438 18107
6066 1 14 . 1 1 45 45 ALA N N 62 120.467 120.467 121.778 -1.311 18107
6067 1 14 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.083 0.066 18107
6068 1 14 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.990 0.236 18107
6069 1 14 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.149 -0.304 18107
6070 1 14 . 1 1 45 45 ALA H H 62 7.853 7.853 7.633 0.220 18107
6071 1 14 . 1 1 46 46 PHE N N 63 119.936 119.936 117.872 2.064 18107
6072 1 14 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.152 0.113 18107
6073 1 14 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.843 2.693 18107
6074 1 14 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.351 1.841 18107
6075 1 14 . 1 1 46 46 PHE H H 63 7.946 7.946 7.223 0.723 18107
6076 1 14 . 1 1 47 47 ILE N N 64 122.630 122.630 119.540 3.090 18107
6077 1 14 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.194 0.426 18107
6078 1 14 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.043 2.315 18107
6079 1 14 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.475 1.905 18107
6080 1 14 . 1 1 47 47 ILE H H 64 8.595 8.595 7.808 0.787 18107
6081 1 14 . 1 1 48 48 GLU N N 65 120.257 120.257 119.821 0.436 18107
6082 1 14 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.954 0.635 18107
6083 1 14 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.890 -0.534 18107
6084 1 14 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.342 0.259 18107
6085 1 14 . 1 1 48 48 GLU H H 65 9.078 9.078 7.897 1.181 18107
6086 1 14 . 1 1 49 49 GLY N N 66 108.368 108.368 106.707 1.661 18107
6087 1 14 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.772 0.381 18107
6088 1 14 . 1 1 49 49 GLY H H 66 8.379 8.379 8.411 -0.032 18107
6089 1 14 . 1 1 50 50 SER N N 67 119.358 119.358 117.375 1.983 18107
6090 1 14 . 1 1 50 50 SER HA H 67 3.988 3.988 4.100 -0.112 18107
6091 1 14 . 1 1 50 50 SER CA C 67 62.501 62.501 60.965 1.536 18107
6092 1 14 . 1 1 50 50 SER CB C 67 63.441 63.441 63.184 0.257 18107
6093 1 14 . 1 1 50 50 SER H H 67 7.694 7.694 8.232 -0.538 18107
6094 1 14 . 1 1 51 51 ARG N N 68 121.212 121.212 120.486 0.726 18107
6095 1 14 . 1 1 51 51 ARG HA H 68 3.908 3.908 3.822 0.086 18107
6096 1 14 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.446 1.595 18107
6097 1 14 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.039 0.718 18107
6098 1 14 . 1 1 51 51 ARG H H 68 8.684 8.684 8.023 0.661 18107
6099 1 14 . 1 1 52 52 GLY N N 69 124.556 124.556 106.713 17.843 18107
6100 1 14 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.658 0.605 18107
6101 1 14 . 1 1 52 52 GLY H H 69 8.068 8.068 7.904 0.164 18107
6102 1 14 . 1 1 53 53 TYR N N 70 123.123 123.123 123.835 -0.712 18107
6103 1 14 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.063 0.006 18107
6104 1 14 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.249 -0.430 18107
6105 1 14 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.395 -0.647 18107
6106 1 14 . 1 1 53 53 TYR H H 70 7.337 7.337 7.469 -0.132 18107
6107 1 14 . 1 1 54 54 PHE N N 71 117.809 117.809 117.349 0.460 18107
6108 1 14 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.907 -0.240 18107
6109 1 14 . 1 1 54 54 PHE CA C 71 60.489 60.489 59.795 0.694 18107
6110 1 14 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.383 1.366 18107
6111 1 14 . 1 1 54 54 PHE H H 71 7.965 7.965 7.366 0.599 18107
6112 1 14 . 1 1 55 55 GLN N N 72 115.519 115.519 117.877 -2.358 18107
6113 1 14 . 1 1 55 55 GLN HA H 72 3.858 3.858 3.838 0.020 18107
6114 1 14 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.969 0.638 18107
6115 1 14 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.235 0.761 18107
6116 1 14 . 1 1 55 55 GLN H H 72 8.522 8.522 7.883 0.639 18107
6117 1 14 . 1 1 56 56 ARG N N 73 118.947 118.947 118.748 0.199 18107
6118 1 14 . 1 1 56 56 ARG HA H 73 3.872 3.872 3.978 -0.106 18107
6119 1 14 . 1 1 56 56 ARG CA C 73 59.921 59.921 59.091 0.830 18107
6120 1 14 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.905 0.181 18107
6121 1 14 . 1 1 56 56 ARG H H 73 7.677 7.677 7.465 0.212 18107
6122 1 14 . 1 1 57 57 GLU N N 74 121.204 121.204 120.063 1.141 18107
6123 1 14 . 1 1 57 57 GLU HA H 74 3.682 3.682 4.036 -0.354 18107
6124 1 14 . 1 1 57 57 GLU CA C 74 58.934 58.934 58.732 0.202 18107
6125 1 14 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.791 0.902 18107
6126 1 14 . 1 1 57 57 GLU H H 74 7.897 7.897 7.755 0.142 18107
6127 1 14 . 1 1 58 58 LEU N N 75 115.348 115.348 119.486 -4.138 18107
6128 1 14 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.118 -0.058 18107
6129 1 14 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.411 -0.517 18107
6130 1 14 . 1 1 58 58 LEU CB C 75 42.330 42.330 41.708 0.622 18107
6131 1 14 . 1 1 58 58 LEU H H 75 7.746 7.746 7.575 0.171 18107
6132 1 14 . 1 1 59 59 LYS N N 76 117.429 117.429 118.723 -1.294 18107
6133 1 14 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.120 0.080 18107
6134 1 14 . 1 1 59 59 LYS CA C 76 56.608 56.608 57.815 -1.207 18107
6135 1 14 . 1 1 59 59 LYS CB C 76 32.883 32.883 31.913 0.970 18107
6136 1 14 . 1 1 59 59 LYS H H 76 7.233 7.233 8.094 -0.861 18107
6137 1 14 . 1 1 60 60 ARG N N 77 120.555 120.555 119.128 1.427 18107
6138 1 14 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.086 0.040 18107
6139 1 14 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.771 -1.072 18107
6140 1 14 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.428 1.370 18107
6141 1 14 . 1 1 60 60 ARG H H 77 7.701 7.701 8.226 -0.525 18107
6142 1 14 . 1 1 61 61 THR N N 78 111.768 111.768 109.224 2.544 18107
6143 1 14 . 1 1 61 61 THR HA H 78 4.414 4.414 3.898 0.516 18107
6144 1 14 . 1 1 61 61 THR CA C 78 62.557 62.557 65.334 -2.777 18107
6145 1 14 . 1 1 61 61 THR CB C 78 69.221 69.221 67.118 2.103 18107
6146 1 14 . 1 1 61 61 THR H H 78 8.638 8.638 7.801 0.838 18107
6147 1 14 . 1 1 62 62 ASP N N 79 120.616 120.616 122.118 -1.502 18107
6148 1 14 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.546 0.086 18107
6149 1 14 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.383 -1.421 18107
6150 1 14 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.184 -0.938 18107
6151 1 14 . 1 1 62 62 ASP H H 79 8.465 8.465 8.269 0.196 18107
6152 1 14 . 1 1 63 63 LEU N N 80 120.063 120.063 120.379 -0.316 18107
6153 1 14 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.197 0.048 18107
6154 1 14 . 1 1 63 63 LEU CA C 80 55.212 55.212 55.712 -0.500 18107
6155 1 14 . 1 1 63 63 LEU CB C 80 43.795 43.795 42.774 1.021 18107
6156 1 14 . 1 1 63 63 LEU H H 80 7.157 7.157 8.129 -0.972 18107
6157 1 14 . 1 1 64 64 ASP N N 81 125.396 125.396 121.334 4.062 18107
6158 1 14 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.863 -0.294 18107
6159 1 14 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.991 0.986 18107
6160 1 14 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.570 0.230 18107
6161 1 14 . 1 1 64 64 ASP H H 81 8.926 8.926 8.030 0.896 18107
6162 1 14 . 1 1 65 65 LEU N N 82 122.508 122.508 121.572 0.936 18107
6163 1 14 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.060 -0.222 18107
6164 1 14 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.896 0.925 18107
6165 1 14 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.817 0.378 18107
6166 1 14 . 1 1 65 65 LEU H H 82 8.281 8.281 8.390 -0.109 18107
6167 1 14 . 1 1 66 66 LEU N N 83 119.413 119.413 119.509 -0.096 18107
6168 1 14 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.918 0.154 18107
6169 1 14 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.578 -0.550 18107
6170 1 14 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.789 0.562 18107
6171 1 14 . 1 1 66 66 LEU H H 83 8.149 8.149 7.955 0.194 18107
6172 1 14 . 1 1 67 67 GLU N N 84 119.941 119.941 118.326 1.615 18107
6173 1 14 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.621 0.225 18107
6174 1 14 . 1 1 67 67 GLU CA C 84 58.523 58.523 58.823 -0.300 18107
6175 1 14 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.703 1.509 18107
6176 1 14 . 1 1 67 67 GLU H H 84 7.725 7.725 7.750 -0.025 18107
6177 1 14 . 1 1 68 68 LYS N N 85 119.400 119.400 119.360 0.040 18107
6178 1 14 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.919 -0.118 18107
6179 1 14 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.049 1.771 18107
6180 1 14 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.502 0.413 18107
6181 1 14 . 1 1 68 68 LYS H H 85 8.117 8.117 7.618 0.499 18107
6182 1 14 . 1 1 69 69 PHE N N 86 117.969 117.969 119.604 -1.635 18107
6183 1 14 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.116 0.173 18107
6184 1 14 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.142 -0.273 18107
6185 1 14 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.818 -0.063 18107
6186 1 14 . 1 1 69 69 PHE H H 86 7.975 7.975 8.585 -0.610 18107
6187 1 14 . 1 1 70 70 ASN N N 87 118.904 118.904 118.299 0.605 18107
6188 1 14 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.184 0.177 18107
6189 1 14 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.887 -0.619 18107
6190 1 14 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.505 -0.407 18107
6191 1 14 . 1 1 70 70 ASN H H 87 8.259 8.259 7.746 0.513 18107
6192 1 14 . 1 1 71 71 PHE N N 88 121.068 121.068 118.174 2.894 18107
6193 1 14 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.740 0.526 18107
6194 1 14 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.110 1.677 18107
6195 1 14 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.634 0.396 18107
6196 1 14 . 1 1 71 71 PHE H H 88 8.618 8.618 7.325 1.293 18107
6197 1 14 . 1 1 72 72 GLU N N 89 120.500 120.500 120.550 -0.050 18107
6198 1 14 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.961 -0.108 18107
6199 1 14 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.017 1.480 18107
6200 1 14 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.015 0.496 18107
6201 1 14 . 1 1 72 72 GLU H H 89 8.709 8.709 8.658 0.051 18107
6202 1 14 . 1 1 73 73 ALA N N 90 123.117 123.117 121.705 1.412 18107
6203 1 14 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.933 0.105 18107
6204 1 14 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.617 0.384 18107
6205 1 14 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.877 0.071 18107
6206 1 14 . 1 1 73 73 ALA H H 90 8.158 8.158 7.882 0.276 18107
6207 1 14 . 1 1 74 74 ALA N N 91 122.919 122.919 121.087 1.832 18107
6208 1 14 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.023 -0.072 18107
6209 1 14 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.536 0.743 18107
6210 1 14 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.178 -0.512 18107
6211 1 14 . 1 1 74 74 ALA H H 91 7.841 7.841 8.056 -0.215 18107
6212 1 14 . 1 1 75 75 LEU N N 92 119.956 119.956 119.624 0.332 18107
6213 1 14 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.131 -0.084 18107
6214 1 14 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.346 0.113 18107
6215 1 14 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.922 0.237 18107
6216 1 14 . 1 1 75 75 LEU H H 92 8.091 8.091 8.606 -0.515 18107
6217 1 14 . 1 1 76 76 ALA N N 93 120.763 120.763 120.992 -0.229 18107
6218 1 14 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.114 0.016 18107
6219 1 14 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.054 0.350 18107
6220 1 14 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.157 -0.287 18107
6221 1 14 . 1 1 76 76 ALA H H 93 7.774 7.774 7.855 -0.081 18107
6222 1 14 . 1 1 77 77 THR N N 94 117.510 117.510 115.859 1.651 18107
6223 1 14 . 1 1 77 77 THR HA H 94 4.234 4.234 4.036 0.198 18107
6224 1 14 . 1 1 77 77 THR CA C 94 67.364 67.364 67.394 -0.030 18107
6225 1 14 . 1 1 77 77 THR CB C 94 68.779 68.779 68.928 -0.149 18107
6226 1 14 . 1 1 77 77 THR H H 94 8.188 8.188 7.779 0.409 18107
6227 1 14 . 1 1 78 78 GLY N N 95 110.009 110.009 109.374 0.635 18107
6228 1 14 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.908 1.242 18107
6229 1 14 . 1 1 78 78 GLY H H 95 8.547 8.547 8.905 -0.358 18107
6230 1 14 . 1 1 79 79 ASP N N 96 121.634 121.634 123.361 -1.727 18107
6231 1 14 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.397 -0.129 18107
6232 1 14 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.850 0.086 18107
6233 1 14 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.828 -0.188 18107
6234 1 14 . 1 1 79 79 ASP H H 96 8.548 8.548 8.306 0.242 18107
6235 1 14 . 1 1 80 80 LEU N N 97 122.599 122.599 119.576 3.023 18107
6236 1 14 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.189 -0.181 18107
6237 1 14 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.324 0.118 18107
6238 1 14 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.761 0.168 18107
6239 1 14 . 1 1 80 80 LEU H H 97 7.618 7.618 7.665 -0.047 18107
6240 1 14 . 1 1 81 81 LEU N N 98 119.913 119.913 116.634 3.279 18107
6241 1 14 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.333 -0.302 18107
6242 1 14 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.672 0.136 18107
6243 1 14 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.338 1.023 18107
6244 1 14 . 1 1 81 81 LEU H H 98 8.224 8.224 7.683 0.541 18107
6245 1 14 . 1 1 82 82 LEU N N 99 118.616 118.616 120.965 -2.349 18107
6246 1 14 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.991 -0.016 18107
6247 1 14 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.758 0.311 18107
6248 1 14 . 1 1 82 82 LEU CB C 99 42.165 42.165 40.874 1.291 18107
6249 1 14 . 1 1 82 82 LEU H H 99 8.359 8.359 8.684 -0.325 18107
6250 1 14 . 1 1 83 83 LYS N N 100 118.988 118.988 119.473 -0.485 18107
6251 1 14 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.002 -0.118 18107
6252 1 14 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.706 0.561 18107
6253 1 14 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.083 0.088 18107
6254 1 14 . 1 1 83 83 LYS H H 100 7.566 7.566 8.049 -0.483 18107
6255 1 14 . 1 1 84 84 ASP N N 101 121.591 121.591 121.002 0.589 18107
6256 1 14 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.499 -0.102 18107
6257 1 14 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.188 0.508 18107
6258 1 14 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.019 -0.614 18107
6259 1 14 . 1 1 84 84 ASP H H 101 7.743 7.743 7.819 -0.076 18107
6260 1 14 . 1 1 85 85 LEU N N 102 123.215 123.215 120.658 2.557 18107
6261 1 14 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.900 -0.050 18107
6262 1 14 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.226 1.615 18107
6263 1 14 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.770 0.802 18107
6264 1 14 . 1 1 85 85 LEU H H 102 8.760 8.760 8.390 0.370 18107
6265 1 14 . 1 1 86 86 LYS N N 103 119.648 119.648 118.182 1.466 18107
6266 1 14 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.999 0.069 18107
6267 1 14 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.569 -0.777 18107
6268 1 14 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.900 -0.768 18107
6269 1 14 . 1 1 86 86 LYS H H 103 8.883 8.883 7.838 1.045 18107
6270 1 14 . 1 1 87 87 ALA N N 104 122.844 122.844 121.595 1.249 18107
6271 1 14 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.215 -0.055 18107
6272 1 14 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.775 0.525 18107
6273 1 14 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.275 -0.255 18107
6274 1 14 . 1 1 87 87 ALA H H 104 7.721 7.721 7.599 0.122 18107
6275 1 14 . 1 1 88 88 LEU N N 105 120.380 120.380 119.192 1.188 18107
6276 1 14 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.067 -0.075 18107
6277 1 14 . 1 1 88 88 LEU CA C 105 58.186 58.186 57.950 0.236 18107
6278 1 14 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.203 1.601 18107
6279 1 14 . 1 1 88 88 LEU H H 105 7.762 7.762 8.121 -0.359 18107
6280 1 14 . 1 1 89 89 GLN N N 106 118.781 118.781 119.418 -0.637 18107
6281 1 14 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.901 -0.316 18107
6282 1 14 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.339 0.638 18107
6283 1 14 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.502 1.125 18107
6284 1 14 . 1 1 89 89 GLN H H 106 8.658 8.658 7.948 0.710 18107
6285 1 14 . 1 1 90 90 LYS N N 107 118.977 118.977 119.300 -0.323 18107
6286 1 14 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.085 -0.137 18107
6287 1 14 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.391 1.104 18107
6288 1 14 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.771 0.652 18107
6289 1 14 . 1 1 90 90 LYS H H 107 7.786 7.786 7.710 0.076 18107
6290 1 14 . 1 1 91 91 ARG N N 108 117.470 117.470 119.916 -2.446 18107
6291 1 14 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.074 -0.071 18107
6292 1 14 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.558 0.024 18107
6293 1 14 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.296 1.332 18107
6294 1 14 . 1 1 91 91 ARG H H 108 7.469 7.469 7.643 -0.174 18107
6295 1 14 . 1 1 92 92 VAL N N 109 117.865 117.865 119.572 -1.707 18107
6296 1 14 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.780 -0.298 18107
6297 1 14 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.652 0.959 18107
6298 1 14 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.100 1.111 18107
6299 1 14 . 1 1 92 92 VAL H H 109 8.084 8.084 8.444 -0.360 18107
6300 1 14 . 1 1 93 93 GLN N N 110 119.617 119.617 118.414 1.203 18107
6301 1 14 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.059 -0.183 18107
6302 1 14 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.909 0.325 18107
6303 1 14 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.553 0.471 18107
6304 1 14 . 1 1 93 93 GLN H H 110 8.512 8.512 8.429 0.083 18107
6305 1 14 . 1 1 94 94 ASP N N 111 117.490 117.490 119.952 -2.462 18107
6306 1 14 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.568 -0.077 18107
6307 1 14 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.123 -0.842 18107
6308 1 14 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.631 0.204 18107
6309 1 14 . 1 1 94 94 ASP H H 111 8.194 8.194 8.322 -0.128 18107
6310 1 14 . 1 1 95 95 SER N N 112 116.625 116.625 114.352 2.273 18107
6311 1 14 . 1 1 95 95 SER HA H 112 4.288 4.288 4.298 -0.010 18107
6312 1 14 . 1 1 95 95 SER CA C 112 59.770 59.770 60.095 -0.325 18107
6313 1 14 . 1 1 95 95 SER CB C 112 63.990 63.990 63.489 0.501 18107
6314 1 14 . 1 1 95 95 SER H H 112 7.479 7.479 7.727 -0.248 18107
6315 1 15 . 1 1 2 2 THR HA H 19 4.222 4.222 4.062 0.160 18107
6316 1 15 . 1 1 2 2 THR CA C 19 63.013 63.013 65.675 -2.662 18107
6317 1 15 . 1 1 2 2 THR CB C 19 69.504 69.504 68.994 0.510 18107
6318 1 15 . 1 1 3 3 ALA N N 20 125.065 125.065 124.650 0.415 18107
6319 1 15 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.987 0.163 18107
6320 1 15 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.126 -0.170 18107
6321 1 15 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.076 0.921 18107
6322 1 15 . 1 1 3 3 ALA H H 20 8.404 8.404 8.110 0.294 18107
6323 1 15 . 1 1 4 4 THR N N 21 109.840 109.840 111.944 -2.104 18107
6324 1 15 . 1 1 4 4 THR HA H 21 4.235 4.235 4.011 0.224 18107
6325 1 15 . 1 1 4 4 THR CA C 21 64.668 64.668 65.296 -0.628 18107
6326 1 15 . 1 1 4 4 THR CB C 21 68.923 68.923 67.693 1.230 18107
6327 1 15 . 1 1 4 4 THR H H 21 7.910 7.910 8.174 -0.264 18107
6328 1 15 . 1 1 5 5 GLN N N 22 122.037 122.037 119.987 2.050 18107
6329 1 15 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.613 0.438 18107
6330 1 15 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.470 -0.306 18107
6331 1 15 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.089 0.468 18107
6332 1 15 . 1 1 5 5 GLN H H 22 7.953 7.953 7.476 0.477 18107
6333 1 15 . 1 1 6 6 ARG N N 23 118.944 118.944 120.348 -1.404 18107
6334 1 15 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.072 0.034 18107
6335 1 15 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.415 -0.323 18107
6336 1 15 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.127 0.020 18107
6337 1 15 . 1 1 6 6 ARG H H 23 7.922 7.922 7.302 0.620 18107
6338 1 15 . 1 1 7 7 PHE N N 24 116.543 116.543 115.602 0.941 18107
6339 1 15 . 1 1 7 7 PHE H H 24 8.276 8.276 7.635 0.641 18107
6340 1 15 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.549 -0.054 18107
6341 1 15 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.708 1.312 18107
6342 1 15 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.323 -0.271 18107
6343 1 15 . 1 1 9 9 GLU N N 26 118.298 118.298 119.395 -1.097 18107
6344 1 15 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.140 -0.150 18107
6345 1 15 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.145 -0.767 18107
6346 1 15 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.267 0.045 18107
6347 1 15 . 1 1 9 9 GLU H H 26 8.148 8.148 8.725 -0.577 18107
6348 1 15 . 1 1 10 10 ILE N N 27 121.761 121.761 117.765 3.996 18107
6349 1 15 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.729 0.235 18107
6350 1 15 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.458 0.005 18107
6351 1 15 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.634 0.616 18107
6352 1 15 . 1 1 10 10 ILE H H 27 8.165 8.165 7.982 0.183 18107
6353 1 15 . 1 1 11 11 GLU N N 28 122.042 122.042 121.295 0.747 18107
6354 1 15 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.985 -0.148 18107
6355 1 15 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.286 0.342 18107
6356 1 15 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.383 0.623 18107
6357 1 15 . 1 1 11 11 GLU H H 28 8.541 8.541 7.744 0.797 18107
6358 1 15 . 1 1 12 12 LYS N N 29 117.967 117.967 118.712 -0.745 18107
6359 1 15 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.090 -0.148 18107
6360 1 15 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.347 0.394 18107
6361 1 15 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.313 0.139 18107
6362 1 15 . 1 1 12 12 LYS H H 29 7.517 7.517 7.824 -0.307 18107
6363 1 15 . 1 1 13 13 PHE N N 30 122.144 122.144 120.404 1.740 18107
6364 1 15 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.279 0.150 18107
6365 1 15 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.387 -0.600 18107
6366 1 15 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.594 0.617 18107
6367 1 15 . 1 1 13 13 PHE H H 30 8.066 8.066 8.058 0.008 18107
6368 1 15 . 1 1 14 14 LEU N N 31 119.404 119.404 119.775 -0.371 18107
6369 1 15 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.011 -0.277 18107
6370 1 15 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.911 -1.147 18107
6371 1 15 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.665 -0.229 18107
6372 1 15 . 1 1 14 14 LEU H H 31 8.739 8.739 8.519 0.220 18107
6373 1 15 . 1 1 15 15 LEU N N 32 121.073 121.073 118.743 2.330 18107
6374 1 15 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.087 -0.127 18107
6375 1 15 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.549 -0.217 18107
6376 1 15 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.190 0.772 18107
6377 1 15 . 1 1 15 15 LEU H H 32 7.736 7.736 7.602 0.134 18107
6378 1 15 . 1 1 16 16 HIS N N 33 118.629 118.629 119.887 -1.258 18107
6379 1 15 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.434 -0.088 18107
6380 1 15 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.771 -0.126 18107
6381 1 15 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.806 -0.505 18107
6382 1 15 . 1 1 16 16 HIS H H 33 7.681 7.681 8.403 -0.722 18107
6383 1 15 . 1 1 17 17 ILE N N 34 118.602 118.602 120.030 -1.428 18107
6384 1 15 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.909 -0.104 18107
6385 1 15 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.325 -0.818 18107
6386 1 15 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.309 0.135 18107
6387 1 15 . 1 1 17 17 ILE H H 34 8.502 8.502 8.864 -0.362 18107
6388 1 15 . 1 1 18 18 THR N N 35 117.776 117.776 115.996 1.780 18107
6389 1 15 . 1 1 18 18 THR HA H 35 4.116 4.116 4.002 0.114 18107
6390 1 15 . 1 1 18 18 THR CA C 35 68.694 68.694 67.267 1.427 18107
6391 1 15 . 1 1 18 18 THR CB C 35 68.694 68.694 68.269 0.425 18107
6392 1 15 . 1 1 18 18 THR H H 35 7.726 7.726 7.893 -0.167 18107
6393 1 15 . 1 1 19 19 HIS N N 36 118.130 118.130 120.737 -2.607 18107
6394 1 15 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.145 0.256 18107
6395 1 15 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.619 0.167 18107
6396 1 15 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.979 -0.909 18107
6397 1 15 . 1 1 19 19 HIS H H 36 7.177 7.177 7.826 -0.649 18107
6398 1 15 . 1 1 20 20 GLU N N 37 119.301 119.301 117.995 1.306 18107
6399 1 15 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.954 0.096 18107
6400 1 15 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.568 -0.011 18107
6401 1 15 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.480 0.576 18107
6402 1 15 . 1 1 20 20 GLU H H 37 7.335 7.335 7.974 -0.639 18107
6403 1 15 . 1 1 21 21 VAL N N 38 122.744 122.744 119.880 2.864 18107
6404 1 15 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.677 -0.255 18107
6405 1 15 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.940 0.109 18107
6406 1 15 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.587 -0.214 18107
6407 1 15 . 1 1 21 21 VAL H H 38 8.385 8.385 7.694 0.691 18107
6408 1 15 . 1 1 22 22 ASP N N 39 120.471 120.471 120.589 -0.118 18107
6409 1 15 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.416 -0.269 18107
6410 1 15 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.693 0.033 18107
6411 1 15 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.276 0.111 18107
6412 1 15 . 1 1 22 22 ASP H H 39 8.054 8.054 7.896 0.158 18107
6413 1 15 . 1 1 23 23 ASP N N 40 118.541 118.541 119.980 -1.439 18107
6414 1 15 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.381 0.039 18107
6415 1 15 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.785 -0.298 18107
6416 1 15 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.007 0.167 18107
6417 1 15 . 1 1 23 23 ASP H H 40 7.587 7.587 7.900 -0.313 18107
6418 1 15 . 1 1 24 24 LEU N N 41 123.241 123.241 117.131 6.110 18107
6419 1 15 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.139 0.029 18107
6420 1 15 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.397 -0.690 18107
6421 1 15 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.053 0.855 18107
6422 1 15 . 1 1 24 24 LEU H H 41 8.032 8.032 8.207 -0.175 18107
6423 1 15 . 1 1 25 25 GLU N N 42 117.508 117.508 119.644 -2.136 18107
6424 1 15 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.041 -0.121 18107
6425 1 15 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.172 -0.090 18107
6426 1 15 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.789 0.074 18107
6427 1 15 . 1 1 25 25 GLU H H 42 8.010 8.010 8.278 -0.268 18107
6428 1 15 . 1 1 26 26 LYS N N 43 117.032 117.032 115.009 2.023 18107
6429 1 15 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.351 -0.108 18107
6430 1 15 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.514 0.737 18107
6431 1 15 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.591 0.916 18107
6432 1 15 . 1 1 26 26 LYS H H 43 7.596 7.596 7.712 -0.116 18107
6433 1 15 . 1 1 27 27 THR N N 44 110.288 110.288 112.769 -2.481 18107
6434 1 15 . 1 1 27 27 THR HA H 44 4.271 4.271 4.455 -0.184 18107
6435 1 15 . 1 1 27 27 THR CA C 44 62.820 62.820 63.253 -0.433 18107
6436 1 15 . 1 1 27 27 THR CB C 44 70.733 70.733 70.534 0.199 18107
6437 1 15 . 1 1 27 27 THR H H 44 8.227 8.227 7.709 0.518 18107
6438 1 15 . 1 1 28 28 GLY N N 45 112.257 112.257 108.841 3.416 18107
6439 1 15 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.220 0.441 18107
6440 1 15 . 1 1 28 28 GLY H H 45 8.727 8.727 8.213 0.514 18107
6441 1 15 . 1 1 29 29 ASN N N 46 118.416 118.416 117.789 0.627 18107
6442 1 15 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.363 0.106 18107
6443 1 15 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.565 0.732 18107
6444 1 15 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.128 1.982 18107
6445 1 15 . 1 1 29 29 ASN H H 46 7.716 7.716 8.584 -0.868 18107
6446 1 15 . 1 1 30 30 LYS N N 47 126.481 126.481 118.255 8.226 18107
6447 1 15 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.144 -0.156 18107
6448 1 15 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.388 0.803 18107
6449 1 15 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.279 0.234 18107
6450 1 15 . 1 1 30 30 LYS H H 47 8.770 8.770 8.485 0.285 18107
6451 1 15 . 1 1 31 31 ASP N N 48 121.710 121.710 115.147 6.563 18107
6452 1 15 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.738 -0.271 18107
6453 1 15 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.441 3.193 18107
6454 1 15 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.630 -1.186 18107
6455 1 15 . 1 1 31 31 ASP H H 48 8.229 8.229 8.152 0.076 18107
6456 1 15 . 1 1 32 32 GLU N N 49 121.695 121.695 121.613 0.082 18107
6457 1 15 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.114 0.243 18107
6458 1 15 . 1 1 32 32 GLU H H 49 8.048 8.048 8.690 -0.642 18107
6459 1 15 . 1 1 33 33 LYS N N 50 120.099 120.099 120.828 -0.729 18107
6460 1 15 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.903 -0.252 18107
6461 1 15 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.305 0.532 18107
6462 1 15 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.107 0.860 18107
6463 1 15 . 1 1 33 33 LYS H H 50 7.975 7.975 7.971 0.004 18107
6464 1 15 . 1 1 34 34 ALA N N 51 118.238 118.238 120.072 -1.834 18107
6465 1 15 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.988 0.001 18107
6466 1 15 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.208 0.186 18107
6467 1 15 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.207 0.005 18107
6468 1 15 . 1 1 34 34 ALA H H 51 7.614 7.614 8.428 -0.814 18107
6469 1 15 . 1 1 35 35 ARG N N 52 120.311 120.311 119.166 1.145 18107
6470 1 15 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.102 1.789 18107
6471 1 15 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.005 1.045 18107
6472 1 15 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.505 -0.094 18107
6473 1 15 . 1 1 35 35 ARG H H 52 7.883 7.883 7.623 0.260 18107
6474 1 15 . 1 1 36 36 LEU N N 53 119.541 119.541 120.948 -1.407 18107
6475 1 15 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.124 -0.178 18107
6476 1 15 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.118 0.371 18107
6477 1 15 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.950 0.492 18107
6478 1 15 . 1 1 36 36 LEU H H 53 8.553 8.553 8.638 -0.085 18107
6479 1 15 . 1 1 37 37 LEU N N 54 117.789 117.789 119.702 -1.913 18107
6480 1 15 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.876 0.189 18107
6481 1 15 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.054 0.587 18107
6482 1 15 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.454 -0.135 18107
6483 1 15 . 1 1 37 37 LEU H H 54 8.341 8.341 8.378 -0.037 18107
6484 1 15 . 1 1 38 38 ARG N N 55 121.176 121.176 119.232 1.944 18107
6485 1 15 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.020 0.048 18107
6486 1 15 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.850 1.475 18107
6487 1 15 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.938 0.132 18107
6488 1 15 . 1 1 38 38 ARG H H 55 7.864 7.864 7.809 0.055 18107
6489 1 15 . 1 1 39 39 GLU N N 56 119.256 119.256 120.534 -1.278 18107
6490 1 15 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.103 -0.043 18107
6491 1 15 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.836 0.058 18107
6492 1 15 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.667 0.234 18107
6493 1 15 . 1 1 39 39 GLU H H 56 8.390 8.390 7.711 0.679 18107
6494 1 15 . 1 1 40 40 LEU N N 57 120.312 120.312 115.810 4.502 18107
6495 1 15 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.430 -0.302 18107
6496 1 15 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.870 0.751 18107
6497 1 15 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.475 0.754 18107
6498 1 15 . 1 1 40 40 LEU H H 57 8.802 8.802 7.788 1.014 18107
6499 1 15 . 1 1 41 41 THR N N 58 117.791 117.791 117.207 0.584 18107
6500 1 15 . 1 1 41 41 THR HA H 58 4.341 4.341 3.896 0.445 18107
6501 1 15 . 1 1 41 41 THR CA C 58 67.542 67.542 67.497 0.045 18107
6502 1 15 . 1 1 41 41 THR CB C 58 69.157 69.157 68.766 0.390 18107
6503 1 15 . 1 1 41 41 THR H H 58 8.182 8.182 7.845 0.337 18107
6504 1 15 . 1 1 42 42 VAL N N 59 123.554 123.554 121.254 2.300 18107
6505 1 15 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.494 0.229 18107
6506 1 15 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.781 0.074 18107
6507 1 15 . 1 1 42 42 VAL H H 59 7.978 7.978 8.286 -0.308 18107
6508 1 15 . 1 1 43 43 SER N N 60 116.859 116.859 114.778 2.081 18107
6509 1 15 . 1 1 43 43 SER HA H 60 4.155 4.155 1.695 2.460 18107
6510 1 15 . 1 1 43 43 SER CA C 60 63.412 63.412 60.990 2.422 18107
6511 1 15 . 1 1 43 43 SER H H 60 7.715 7.715 7.625 0.090 18107
6512 1 15 . 1 1 44 44 GLU N N 61 124.072 124.072 120.995 3.077 18107
6513 1 15 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.853 -0.227 18107
6514 1 15 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.955 1.548 18107
6515 1 15 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.622 0.172 18107
6516 1 15 . 1 1 44 44 GLU H H 61 8.517 8.517 8.126 0.391 18107
6517 1 15 . 1 1 45 45 ALA N N 62 120.467 120.467 121.913 -1.446 18107
6518 1 15 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.067 0.082 18107
6519 1 15 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.031 0.196 18107
6520 1 15 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.160 -0.315 18107
6521 1 15 . 1 1 45 45 ALA H H 62 7.853 7.853 7.588 0.265 18107
6522 1 15 . 1 1 46 46 PHE N N 63 119.936 119.936 117.213 2.723 18107
6523 1 15 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.220 0.045 18107
6524 1 15 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.702 2.834 18107
6525 1 15 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.476 1.716 18107
6526 1 15 . 1 1 46 46 PHE H H 63 7.946 7.946 7.043 0.903 18107
6527 1 15 . 1 1 47 47 ILE N N 64 122.630 122.630 120.287 2.343 18107
6528 1 15 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.587 0.033 18107
6529 1 15 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.614 1.744 18107
6530 1 15 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.821 1.560 18107
6531 1 15 . 1 1 47 47 ILE H H 64 8.595 8.595 7.926 0.669 18107
6532 1 15 . 1 1 48 48 GLU N N 65 120.257 120.257 119.077 1.180 18107
6533 1 15 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.055 0.534 18107
6534 1 15 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.765 -0.409 18107
6535 1 15 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.433 0.168 18107
6536 1 15 . 1 1 48 48 GLU H H 65 9.078 9.078 7.924 1.154 18107
6537 1 15 . 1 1 49 49 GLY N N 66 108.368 108.368 107.636 0.732 18107
6538 1 15 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.675 0.478 18107
6539 1 15 . 1 1 49 49 GLY H H 66 8.379 8.379 8.310 0.069 18107
6540 1 15 . 1 1 50 50 SER N N 67 119.358 119.358 118.411 0.947 18107
6541 1 15 . 1 1 50 50 SER HA H 67 3.988 3.988 3.999 -0.011 18107
6542 1 15 . 1 1 50 50 SER CA C 67 62.501 62.501 61.994 0.507 18107
6543 1 15 . 1 1 50 50 SER CB C 67 63.441 63.441 63.239 0.202 18107
6544 1 15 . 1 1 50 50 SER H H 67 7.694 7.694 8.260 -0.566 18107
6545 1 15 . 1 1 51 51 ARG N N 68 121.212 121.212 121.145 0.067 18107
6546 1 15 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.211 -0.303 18107
6547 1 15 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.667 1.374 18107
6548 1 15 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.107 0.650 18107
6549 1 15 . 1 1 51 51 ARG H H 68 8.684 8.684 7.893 0.791 18107
6550 1 15 . 1 1 52 52 GLY N N 69 124.556 124.556 106.500 18.056 18107
6551 1 15 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.803 0.460 18107
6552 1 15 . 1 1 52 52 GLY H H 69 8.068 8.068 8.142 -0.074 18107
6553 1 15 . 1 1 53 53 TYR N N 70 123.123 123.123 122.801 0.322 18107
6554 1 15 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.169 -0.100 18107
6555 1 15 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.230 -0.410 18107
6556 1 15 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.446 -0.699 18107
6557 1 15 . 1 1 53 53 TYR H H 70 7.337 7.337 7.740 -0.403 18107
6558 1 15 . 1 1 54 54 PHE N N 71 117.809 117.809 118.282 -0.473 18107
6559 1 15 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.963 -0.296 18107
6560 1 15 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.705 -0.216 18107
6561 1 15 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.110 0.639 18107
6562 1 15 . 1 1 54 54 PHE H H 71 7.965 7.965 7.274 0.691 18107
6563 1 15 . 1 1 55 55 GLN N N 72 115.519 115.519 118.192 -2.673 18107
6564 1 15 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.032 -0.174 18107
6565 1 15 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.818 0.790 18107
6566 1 15 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.495 0.501 18107
6567 1 15 . 1 1 55 55 GLN H H 72 8.522 8.522 7.980 0.542 18107
6568 1 15 . 1 1 56 56 ARG N N 73 118.947 118.947 117.741 1.206 18107
6569 1 15 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.123 -0.251 18107
6570 1 15 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.686 2.235 18107
6571 1 15 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.865 0.221 18107
6572 1 15 . 1 1 56 56 ARG H H 73 7.677 7.677 7.693 -0.016 18107
6573 1 15 . 1 1 57 57 GLU N N 74 121.204 121.204 121.884 -0.680 18107
6574 1 15 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.944 -0.262 18107
6575 1 15 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.174 -0.240 18107
6576 1 15 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.919 0.773 18107
6577 1 15 . 1 1 57 57 GLU H H 74 7.897 7.897 8.216 -0.319 18107
6578 1 15 . 1 1 58 58 LEU N N 75 115.348 115.348 119.124 -3.776 18107
6579 1 15 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.181 -0.121 18107
6580 1 15 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.849 -0.955 18107
6581 1 15 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.083 0.247 18107
6582 1 15 . 1 1 58 58 LEU H H 75 7.746 7.746 7.800 -0.054 18107
6583 1 15 . 1 1 59 59 LYS N N 76 117.429 117.429 116.723 0.706 18107
6584 1 15 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.335 -0.135 18107
6585 1 15 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.722 0.886 18107
6586 1 15 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.032 0.851 18107
6587 1 15 . 1 1 59 59 LYS H H 76 7.233 7.233 7.959 -0.726 18107
6588 1 15 . 1 1 60 60 ARG N N 77 120.555 120.555 119.389 1.166 18107
6589 1 15 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.068 0.058 18107
6590 1 15 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.437 -0.738 18107
6591 1 15 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.490 1.308 18107
6592 1 15 . 1 1 60 60 ARG H H 77 7.701 7.701 7.987 -0.286 18107
6593 1 15 . 1 1 61 61 THR N N 78 111.768 111.768 107.584 4.184 18107
6594 1 15 . 1 1 61 61 THR HA H 78 4.414 4.414 4.082 0.332 18107
6595 1 15 . 1 1 61 61 THR CA C 78 62.557 62.557 64.242 -1.685 18107
6596 1 15 . 1 1 61 61 THR CB C 78 69.221 69.221 67.914 1.307 18107
6597 1 15 . 1 1 61 61 THR H H 78 8.638 8.638 8.185 0.453 18107
6598 1 15 . 1 1 62 62 ASP N N 79 120.616 120.616 120.104 0.512 18107
6599 1 15 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.829 -0.197 18107
6600 1 15 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.547 -1.585 18107
6601 1 15 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.557 -1.311 18107
6602 1 15 . 1 1 62 62 ASP H H 79 8.465 8.465 8.460 0.005 18107
6603 1 15 . 1 1 63 63 LEU N N 80 120.063 120.063 116.574 3.489 18107
6604 1 15 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.068 -0.823 18107
6605 1 15 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.803 1.409 18107
6606 1 15 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.718 -1.923 18107
6607 1 15 . 1 1 63 63 LEU H H 80 7.157 7.157 7.628 -0.471 18107
6608 1 15 . 1 1 64 64 ASP N N 81 125.396 125.396 121.952 3.444 18107
6609 1 15 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.912 -0.343 18107
6610 1 15 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.909 1.068 18107
6611 1 15 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.717 -0.917 18107
6612 1 15 . 1 1 64 64 ASP H H 81 8.926 8.926 8.231 0.695 18107
6613 1 15 . 1 1 65 65 LEU N N 82 122.508 122.508 121.051 1.457 18107
6614 1 15 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.102 -0.264 18107
6615 1 15 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.045 0.775 18107
6616 1 15 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.793 0.402 18107
6617 1 15 . 1 1 65 65 LEU H H 82 8.281 8.281 8.356 -0.075 18107
6618 1 15 . 1 1 66 66 LEU N N 83 119.413 119.413 120.892 -1.479 18107
6619 1 15 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.089 -0.017 18107
6620 1 15 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.202 -0.174 18107
6621 1 15 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.529 0.822 18107
6622 1 15 . 1 1 66 66 LEU H H 83 8.149 8.149 7.987 0.162 18107
6623 1 15 . 1 1 67 67 GLU N N 84 119.941 119.941 118.056 1.885 18107
6624 1 15 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.683 0.163 18107
6625 1 15 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.298 -0.775 18107
6626 1 15 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.302 0.910 18107
6627 1 15 . 1 1 67 67 GLU H H 84 7.725 7.725 8.742 -1.017 18107
6628 1 15 . 1 1 68 68 LYS N N 85 119.400 119.400 120.055 -0.655 18107
6629 1 15 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.805 -0.004 18107
6630 1 15 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.416 1.404 18107
6631 1 15 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.353 0.562 18107
6632 1 15 . 1 1 68 68 LYS H H 85 8.117 8.117 8.105 0.012 18107
6633 1 15 . 1 1 69 69 PHE N N 86 117.969 117.969 119.756 -1.787 18107
6634 1 15 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.049 0.240 18107
6635 1 15 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.388 -0.519 18107
6636 1 15 . 1 1 69 69 PHE CB C 86 38.755 38.755 39.005 -0.250 18107
6637 1 15 . 1 1 69 69 PHE H H 86 7.975 7.975 8.081 -0.106 18107
6638 1 15 . 1 1 70 70 ASN N N 87 118.904 118.904 118.380 0.524 18107
6639 1 15 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.378 -0.017 18107
6640 1 15 . 1 1 70 70 ASN CA C 87 56.268 56.268 55.535 0.733 18107
6641 1 15 . 1 1 70 70 ASN CB C 87 38.098 38.098 37.966 0.132 18107
6642 1 15 . 1 1 70 70 ASN H H 87 8.259 8.259 7.360 0.899 18107
6643 1 15 . 1 1 71 71 PHE N N 88 121.068 121.068 118.586 2.482 18107
6644 1 15 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.408 0.858 18107
6645 1 15 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.915 0.872 18107
6646 1 15 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.553 0.477 18107
6647 1 15 . 1 1 71 71 PHE H H 88 8.618 8.618 7.264 1.354 18107
6648 1 15 . 1 1 72 72 GLU N N 89 120.500 120.500 119.708 0.792 18107
6649 1 15 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.906 -0.053 18107
6650 1 15 . 1 1 72 72 GLU CA C 89 60.497 60.497 58.990 1.507 18107
6651 1 15 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.073 0.438 18107
6652 1 15 . 1 1 72 72 GLU H H 89 8.709 8.709 8.643 0.066 18107
6653 1 15 . 1 1 73 73 ALA N N 90 123.117 123.117 122.055 1.062 18107
6654 1 15 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.968 0.070 18107
6655 1 15 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.727 0.274 18107
6656 1 15 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.003 -0.055 18107
6657 1 15 . 1 1 73 73 ALA H H 90 8.158 8.158 7.815 0.343 18107
6658 1 15 . 1 1 74 74 ALA N N 91 122.919 122.919 121.103 1.816 18107
6659 1 15 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.204 -0.253 18107
6660 1 15 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.692 0.587 18107
6661 1 15 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.173 -0.507 18107
6662 1 15 . 1 1 74 74 ALA H H 91 7.841 7.841 8.095 -0.254 18107
6663 1 15 . 1 1 75 75 LEU N N 92 119.956 119.956 119.557 0.399 18107
6664 1 15 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.135 -0.088 18107
6665 1 15 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.012 0.447 18107
6666 1 15 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.818 0.341 18107
6667 1 15 . 1 1 75 75 LEU H H 92 8.091 8.091 8.353 -0.262 18107
6668 1 15 . 1 1 76 76 ALA N N 93 120.763 120.763 121.090 -0.327 18107
6669 1 15 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.106 0.024 18107
6670 1 15 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.319 0.085 18107
6671 1 15 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.099 -0.229 18107
6672 1 15 . 1 1 76 76 ALA H H 93 7.774 7.774 7.829 -0.055 18107
6673 1 15 . 1 1 77 77 THR N N 94 117.510 117.510 115.992 1.518 18107
6674 1 15 . 1 1 77 77 THR HA H 94 4.234 4.234 4.067 0.167 18107
6675 1 15 . 1 1 77 77 THR CA C 94 67.364 67.364 67.788 -0.424 18107
6676 1 15 . 1 1 77 77 THR CB C 94 68.779 68.779 68.819 -0.040 18107
6677 1 15 . 1 1 77 77 THR H H 94 8.188 8.188 7.809 0.379 18107
6678 1 15 . 1 1 78 78 GLY N N 95 110.009 110.009 109.140 0.869 18107
6679 1 15 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.579 1.571 18107
6680 1 15 . 1 1 78 78 GLY H H 95 8.547 8.547 8.770 -0.223 18107
6681 1 15 . 1 1 79 79 ASP N N 96 121.634 121.634 122.516 -0.882 18107
6682 1 15 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.403 -0.135 18107
6683 1 15 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.331 0.605 18107
6684 1 15 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.980 -0.340 18107
6685 1 15 . 1 1 79 79 ASP H H 96 8.548 8.548 7.954 0.594 18107
6686 1 15 . 1 1 80 80 LEU N N 97 122.599 122.599 119.487 3.112 18107
6687 1 15 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.204 -0.196 18107
6688 1 15 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.356 0.086 18107
6689 1 15 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.845 0.084 18107
6690 1 15 . 1 1 80 80 LEU H H 97 7.618 7.618 7.658 -0.040 18107
6691 1 15 . 1 1 81 81 LEU N N 98 119.913 119.913 117.437 2.476 18107
6692 1 15 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.573 -0.542 18107
6693 1 15 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.609 0.199 18107
6694 1 15 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.284 1.077 18107
6695 1 15 . 1 1 81 81 LEU H H 98 8.224 8.224 7.710 0.514 18107
6696 1 15 . 1 1 82 82 LEU N N 99 118.616 118.616 120.749 -2.133 18107
6697 1 15 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.878 0.097 18107
6698 1 15 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.232 -0.163 18107
6699 1 15 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.419 0.746 18107
6700 1 15 . 1 1 82 82 LEU H H 99 8.359 8.359 8.567 -0.208 18107
6701 1 15 . 1 1 83 83 LYS N N 100 118.988 118.988 119.162 -0.174 18107
6702 1 15 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.954 -0.070 18107
6703 1 15 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.011 0.255 18107
6704 1 15 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.133 0.038 18107
6705 1 15 . 1 1 83 83 LYS H H 100 7.566 7.566 7.880 -0.314 18107
6706 1 15 . 1 1 84 84 ASP N N 101 121.591 121.591 120.938 0.653 18107
6707 1 15 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.460 -0.063 18107
6708 1 15 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.090 0.606 18107
6709 1 15 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.636 -0.231 18107
6710 1 15 . 1 1 84 84 ASP H H 101 7.743 7.743 7.935 -0.192 18107
6711 1 15 . 1 1 85 85 LEU N N 102 123.215 123.215 120.716 2.499 18107
6712 1 15 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.895 -0.045 18107
6713 1 15 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.341 1.500 18107
6714 1 15 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.798 0.774 18107
6715 1 15 . 1 1 85 85 LEU H H 102 8.760 8.760 8.434 0.326 18107
6716 1 15 . 1 1 86 86 LYS N N 103 119.648 119.648 118.431 1.217 18107
6717 1 15 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.104 -0.036 18107
6718 1 15 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.183 -0.391 18107
6719 1 15 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.911 -0.779 18107
6720 1 15 . 1 1 86 86 LYS H H 103 8.883 8.883 7.834 1.049 18107
6721 1 15 . 1 1 87 87 ALA N N 104 122.844 122.844 122.396 0.448 18107
6722 1 15 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.181 -0.021 18107
6723 1 15 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.685 0.615 18107
6724 1 15 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.333 -0.313 18107
6725 1 15 . 1 1 87 87 ALA H H 104 7.721 7.721 7.709 0.012 18107
6726 1 15 . 1 1 88 88 LEU N N 105 120.380 120.380 118.889 1.491 18107
6727 1 15 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.070 -0.078 18107
6728 1 15 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.030 0.156 18107
6729 1 15 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.190 1.614 18107
6730 1 15 . 1 1 88 88 LEU H H 105 7.762 7.762 8.253 -0.491 18107
6731 1 15 . 1 1 89 89 GLN N N 106 118.781 118.781 119.349 -0.568 18107
6732 1 15 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.892 -0.307 18107
6733 1 15 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.493 0.484 18107
6734 1 15 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.480 1.147 18107
6735 1 15 . 1 1 89 89 GLN H H 106 8.658 8.658 8.163 0.495 18107
6736 1 15 . 1 1 90 90 LYS N N 107 118.977 118.977 119.050 -0.073 18107
6737 1 15 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.081 -0.133 18107
6738 1 15 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.361 1.134 18107
6739 1 15 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.872 0.551 18107
6740 1 15 . 1 1 90 90 LYS H H 107 7.786 7.786 7.687 0.099 18107
6741 1 15 . 1 1 91 91 ARG N N 108 117.470 117.470 120.534 -3.064 18107
6742 1 15 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.067 -0.064 18107
6743 1 15 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.452 0.130 18107
6744 1 15 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.205 1.423 18107
6745 1 15 . 1 1 91 91 ARG H H 108 7.469 7.469 7.647 -0.178 18107
6746 1 15 . 1 1 92 92 VAL N N 109 117.865 117.865 119.158 -1.293 18107
6747 1 15 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.759 -0.277 18107
6748 1 15 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.137 0.474 18107
6749 1 15 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.287 0.924 18107
6750 1 15 . 1 1 92 92 VAL H H 109 8.084 8.084 8.417 -0.333 18107
6751 1 15 . 1 1 93 93 GLN N N 110 119.617 119.617 118.131 1.486 18107
6752 1 15 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.107 -0.231 18107
6753 1 15 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.789 0.445 18107
6754 1 15 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.464 0.560 18107
6755 1 15 . 1 1 93 93 GLN H H 110 8.512 8.512 8.425 0.087 18107
6756 1 15 . 1 1 94 94 ASP N N 111 117.490 117.490 120.836 -3.346 18107
6757 1 15 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.523 -0.032 18107
6758 1 15 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.180 -0.899 18107
6759 1 15 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.668 0.167 18107
6760 1 15 . 1 1 94 94 ASP H H 111 8.194 8.194 8.274 -0.080 18107
6761 1 15 . 1 1 95 95 SER N N 112 116.625 116.625 113.789 2.836 18107
6762 1 15 . 1 1 95 95 SER HA H 112 4.288 4.288 4.295 -0.007 18107
6763 1 15 . 1 1 95 95 SER CA C 112 59.770 59.770 61.110 -1.340 18107
6764 1 15 . 1 1 95 95 SER CB C 112 63.990 63.990 63.663 0.327 18107
6765 1 15 . 1 1 95 95 SER H H 112 7.479 7.479 7.710 -0.231 18107
6766 1 16 . 1 1 2 2 THR HA H 19 4.222 4.222 4.273 -0.051 18107
6767 1 16 . 1 1 2 2 THR CA C 19 63.013 63.013 64.649 -1.636 18107
6768 1 16 . 1 1 2 2 THR CB C 19 69.504 69.504 68.946 0.558 18107
6769 1 16 . 1 1 3 3 ALA N N 20 125.065 125.065 123.909 1.156 18107
6770 1 16 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.217 -0.067 18107
6771 1 16 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.108 -0.152 18107
6772 1 16 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.756 1.241 18107
6773 1 16 . 1 1 3 3 ALA H H 20 8.404 8.404 8.280 0.124 18107
6774 1 16 . 1 1 4 4 THR N N 21 109.840 109.840 112.571 -2.731 18107
6775 1 16 . 1 1 4 4 THR HA H 21 4.235 4.235 3.962 0.273 18107
6776 1 16 . 1 1 4 4 THR CA C 21 64.668 64.668 65.750 -1.082 18107
6777 1 16 . 1 1 4 4 THR CB C 21 68.923 68.923 68.332 0.591 18107
6778 1 16 . 1 1 4 4 THR H H 21 7.910 7.910 8.065 -0.155 18107
6779 1 16 . 1 1 5 5 GLN N N 22 122.037 122.037 121.323 0.714 18107
6780 1 16 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.114 -0.063 18107
6781 1 16 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.951 -0.787 18107
6782 1 16 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.560 -0.003 18107
6783 1 16 . 1 1 5 5 GLN H H 22 7.953 7.953 7.871 0.082 18107
6784 1 16 . 1 1 6 6 ARG N N 23 118.944 118.944 119.254 -0.310 18107
6785 1 16 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.237 -0.131 18107
6786 1 16 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.514 -0.422 18107
6787 1 16 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.646 -0.499 18107
6788 1 16 . 1 1 6 6 ARG H H 23 7.922 7.922 7.809 0.113 18107
6789 1 16 . 1 1 7 7 PHE N N 24 116.543 116.543 114.441 2.102 18107
6790 1 16 . 1 1 7 7 PHE H H 24 8.276 8.276 7.743 0.533 18107
6791 1 16 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.740 -0.245 18107
6792 1 16 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.107 1.913 18107
6793 1 16 . 1 1 8 8 HIS CB C 25 30.052 30.052 32.272 -2.220 18107
6794 1 16 . 1 1 9 9 GLU N N 26 118.298 118.298 119.992 -1.694 18107
6795 1 16 . 1 1 9 9 GLU HA H 26 3.990 3.990 3.951 0.039 18107
6796 1 16 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.153 -0.775 18107
6797 1 16 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.417 -0.105 18107
6798 1 16 . 1 1 9 9 GLU H H 26 8.148 8.148 7.728 0.420 18107
6799 1 16 . 1 1 10 10 ILE N N 27 121.761 121.761 117.148 4.613 18107
6800 1 16 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.587 0.377 18107
6801 1 16 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.468 -2.005 18107
6802 1 16 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.542 -0.292 18107
6803 1 16 . 1 1 10 10 ILE H H 27 8.165 8.165 8.286 -0.121 18107
6804 1 16 . 1 1 11 11 GLU N N 28 122.042 122.042 121.102 0.940 18107
6805 1 16 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.922 -0.085 18107
6806 1 16 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.248 0.380 18107
6807 1 16 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.121 0.885 18107
6808 1 16 . 1 1 11 11 GLU H H 28 8.541 8.541 8.408 0.133 18107
6809 1 16 . 1 1 12 12 LYS N N 29 117.967 117.967 118.913 -0.946 18107
6810 1 16 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.033 -0.091 18107
6811 1 16 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.488 0.253 18107
6812 1 16 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.159 0.293 18107
6813 1 16 . 1 1 12 12 LYS H H 29 7.517 7.517 7.981 -0.464 18107
6814 1 16 . 1 1 13 13 PHE N N 30 122.144 122.144 120.626 1.518 18107
6815 1 16 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.230 0.199 18107
6816 1 16 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.490 -0.703 18107
6817 1 16 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.725 0.486 18107
6818 1 16 . 1 1 13 13 PHE H H 30 8.066 8.066 7.923 0.143 18107
6819 1 16 . 1 1 14 14 LEU N N 31 119.404 119.404 118.982 0.422 18107
6820 1 16 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.890 -0.156 18107
6821 1 16 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.112 -0.348 18107
6822 1 16 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.703 -0.267 18107
6823 1 16 . 1 1 14 14 LEU H H 31 8.739 8.739 8.631 0.108 18107
6824 1 16 . 1 1 15 15 LEU N N 32 121.073 121.073 115.744 5.329 18107
6825 1 16 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.126 -0.166 18107
6826 1 16 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.812 0.520 18107
6827 1 16 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.708 1.254 18107
6828 1 16 . 1 1 15 15 LEU H H 32 7.736 7.736 7.783 -0.047 18107
6829 1 16 . 1 1 16 16 HIS N N 33 118.629 118.629 119.435 -0.806 18107
6830 1 16 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.359 -0.013 18107
6831 1 16 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.894 -0.249 18107
6832 1 16 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.350 -0.049 18107
6833 1 16 . 1 1 16 16 HIS H H 33 7.681 7.681 8.262 -0.581 18107
6834 1 16 . 1 1 17 17 ILE N N 34 118.602 118.602 119.694 -1.092 18107
6835 1 16 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.786 0.019 18107
6836 1 16 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.846 -1.339 18107
6837 1 16 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.072 -0.626 18107
6838 1 16 . 1 1 17 17 ILE H H 34 8.502 8.502 8.602 -0.100 18107
6839 1 16 . 1 1 18 18 THR N N 35 117.776 117.776 116.281 1.495 18107
6840 1 16 . 1 1 18 18 THR HA H 35 4.116 4.116 3.940 0.176 18107
6841 1 16 . 1 1 18 18 THR CA C 35 68.694 68.694 67.270 1.423 18107
6842 1 16 . 1 1 18 18 THR CB C 35 68.694 68.694 68.196 0.498 18107
6843 1 16 . 1 1 18 18 THR H H 35 7.726 7.726 7.841 -0.115 18107
6844 1 16 . 1 1 19 19 HIS N N 36 118.130 118.130 120.177 -2.047 18107
6845 1 16 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.077 0.324 18107
6846 1 16 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.878 -0.092 18107
6847 1 16 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.894 -0.824 18107
6848 1 16 . 1 1 19 19 HIS H H 36 7.177 7.177 7.854 -0.677 18107
6849 1 16 . 1 1 20 20 GLU N N 37 119.301 119.301 118.924 0.377 18107
6850 1 16 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.976 0.074 18107
6851 1 16 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.289 0.268 18107
6852 1 16 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.497 0.559 18107
6853 1 16 . 1 1 20 20 GLU H H 37 7.335 7.335 7.824 -0.489 18107
6854 1 16 . 1 1 21 21 VAL N N 38 122.744 122.744 119.005 3.739 18107
6855 1 16 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.591 -0.169 18107
6856 1 16 . 1 1 21 21 VAL CA C 38 67.049 67.049 67.118 -0.069 18107
6857 1 16 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.664 -0.291 18107
6858 1 16 . 1 1 21 21 VAL H H 38 8.385 8.385 7.656 0.729 18107
6859 1 16 . 1 1 22 22 ASP N N 39 120.471 120.471 120.403 0.068 18107
6860 1 16 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.354 -0.207 18107
6861 1 16 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.488 0.238 18107
6862 1 16 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.771 -0.384 18107
6863 1 16 . 1 1 22 22 ASP H H 39 8.054 8.054 7.763 0.291 18107
6864 1 16 . 1 1 23 23 ASP N N 40 118.541 118.541 120.283 -1.742 18107
6865 1 16 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.367 0.053 18107
6866 1 16 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.237 0.250 18107
6867 1 16 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.871 0.303 18107
6868 1 16 . 1 1 23 23 ASP H H 40 7.587 7.587 7.890 -0.303 18107
6869 1 16 . 1 1 24 24 LEU N N 41 123.241 123.241 116.659 6.582 18107
6870 1 16 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.200 -0.032 18107
6871 1 16 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.921 -0.214 18107
6872 1 16 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.107 0.802 18107
6873 1 16 . 1 1 24 24 LEU H H 41 8.032 8.032 8.257 -0.225 18107
6874 1 16 . 1 1 25 25 GLU N N 42 117.508 117.508 119.709 -2.201 18107
6875 1 16 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.034 -0.114 18107
6876 1 16 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.332 -0.250 18107
6877 1 16 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.763 0.100 18107
6878 1 16 . 1 1 25 25 GLU H H 42 8.010 8.010 8.424 -0.414 18107
6879 1 16 . 1 1 26 26 LYS N N 43 117.032 117.032 115.525 1.507 18107
6880 1 16 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.359 -0.116 18107
6881 1 16 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.575 0.676 18107
6882 1 16 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.411 1.095 18107
6883 1 16 . 1 1 26 26 LYS H H 43 7.596 7.596 7.725 -0.129 18107
6884 1 16 . 1 1 27 27 THR N N 44 110.288 110.288 111.954 -1.666 18107
6885 1 16 . 1 1 27 27 THR HA H 44 4.271 4.271 4.424 -0.153 18107
6886 1 16 . 1 1 27 27 THR CA C 44 62.820 62.820 63.227 -0.407 18107
6887 1 16 . 1 1 27 27 THR CB C 44 70.733 70.733 69.940 0.793 18107
6888 1 16 . 1 1 27 27 THR H H 44 8.227 8.227 7.267 0.960 18107
6889 1 16 . 1 1 28 28 GLY N N 45 112.257 112.257 107.838 4.419 18107
6890 1 16 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.292 0.369 18107
6891 1 16 . 1 1 28 28 GLY H H 45 8.727 8.727 8.285 0.442 18107
6892 1 16 . 1 1 29 29 ASN N N 46 118.416 118.416 117.084 1.332 18107
6893 1 16 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.325 0.144 18107
6894 1 16 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.836 0.462 18107
6895 1 16 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.702 2.408 18107
6896 1 16 . 1 1 29 29 ASN H H 46 7.716 7.716 8.517 -0.801 18107
6897 1 16 . 1 1 30 30 LYS N N 47 126.481 126.481 118.605 7.876 18107
6898 1 16 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.102 -0.114 18107
6899 1 16 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.418 0.773 18107
6900 1 16 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.077 0.436 18107
6901 1 16 . 1 1 30 30 LYS H H 47 8.770 8.770 8.449 0.321 18107
6902 1 16 . 1 1 31 31 ASP N N 48 121.710 121.710 115.497 6.213 18107
6903 1 16 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.861 -0.394 18107
6904 1 16 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.353 3.282 18107
6905 1 16 . 1 1 31 31 ASP CB C 48 40.444 40.444 42.051 -1.607 18107
6906 1 16 . 1 1 31 31 ASP H H 48 8.229 8.229 8.240 -0.011 18107
6907 1 16 . 1 1 32 32 GLU N N 49 121.695 121.695 121.691 0.004 18107
6908 1 16 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.141 0.216 18107
6909 1 16 . 1 1 32 32 GLU H H 49 8.048 8.048 8.756 -0.708 18107
6910 1 16 . 1 1 33 33 LYS N N 50 120.099 120.099 118.786 1.313 18107
6911 1 16 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.952 -0.301 18107
6912 1 16 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.468 0.369 18107
6913 1 16 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.947 1.020 18107
6914 1 16 . 1 1 33 33 LYS H H 50 7.975 7.975 8.455 -0.480 18107
6915 1 16 . 1 1 34 34 ALA N N 51 118.238 118.238 120.803 -2.565 18107
6916 1 16 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.966 0.023 18107
6917 1 16 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.234 0.159 18107
6918 1 16 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.470 -0.258 18107
6919 1 16 . 1 1 34 34 ALA H H 51 7.614 7.614 8.385 -0.771 18107
6920 1 16 . 1 1 35 35 ARG N N 52 120.311 120.311 118.822 1.489 18107
6921 1 16 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.118 1.773 18107
6922 1 16 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.969 1.081 18107
6923 1 16 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.120 0.291 18107
6924 1 16 . 1 1 35 35 ARG H H 52 7.883 7.883 7.912 -0.029 18107
6925 1 16 . 1 1 36 36 LEU N N 53 119.541 119.541 119.474 0.067 18107
6926 1 16 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.230 -0.284 18107
6927 1 16 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.970 0.519 18107
6928 1 16 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.641 0.801 18107
6929 1 16 . 1 1 36 36 LEU H H 53 8.553 8.553 8.425 0.128 18107
6930 1 16 . 1 1 37 37 LEU N N 54 117.789 117.789 120.601 -2.812 18107
6931 1 16 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.861 0.204 18107
6932 1 16 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.235 0.407 18107
6933 1 16 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.374 -0.055 18107
6934 1 16 . 1 1 37 37 LEU H H 54 8.341 8.341 8.517 -0.176 18107
6935 1 16 . 1 1 38 38 ARG N N 55 121.176 121.176 119.022 2.154 18107
6936 1 16 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.052 0.016 18107
6937 1 16 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.143 1.182 18107
6938 1 16 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.932 0.138 18107
6939 1 16 . 1 1 38 38 ARG H H 55 7.864 7.864 7.967 -0.103 18107
6940 1 16 . 1 1 39 39 GLU N N 56 119.256 119.256 120.965 -1.709 18107
6941 1 16 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.106 -0.046 18107
6942 1 16 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.932 -0.038 18107
6943 1 16 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.627 0.274 18107
6944 1 16 . 1 1 39 39 GLU H H 56 8.390 8.390 7.717 0.673 18107
6945 1 16 . 1 1 40 40 LEU N N 57 120.312 120.312 116.386 3.926 18107
6946 1 16 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.211 -0.083 18107
6947 1 16 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.221 0.400 18107
6948 1 16 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.117 1.112 18107
6949 1 16 . 1 1 40 40 LEU H H 57 8.802 8.802 8.164 0.638 18107
6950 1 16 . 1 1 41 41 THR N N 58 117.791 117.791 117.209 0.582 18107
6951 1 16 . 1 1 41 41 THR HA H 58 4.341 4.341 3.904 0.437 18107
6952 1 16 . 1 1 41 41 THR CA C 58 67.542 67.542 67.215 0.327 18107
6953 1 16 . 1 1 41 41 THR CB C 58 69.157 69.157 68.418 0.739 18107
6954 1 16 . 1 1 41 41 THR H H 58 8.182 8.182 7.995 0.187 18107
6955 1 16 . 1 1 42 42 VAL N N 59 123.554 123.554 120.926 2.628 18107
6956 1 16 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.630 0.093 18107
6957 1 16 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.464 1.391 18107
6958 1 16 . 1 1 42 42 VAL H H 59 7.978 7.978 8.138 -0.160 18107
6959 1 16 . 1 1 43 43 SER N N 60 116.859 116.859 115.430 1.429 18107
6960 1 16 . 1 1 43 43 SER HA H 60 4.155 4.155 1.830 2.325 18107
6961 1 16 . 1 1 43 43 SER CA C 60 63.412 63.412 60.782 2.631 18107
6962 1 16 . 1 1 43 43 SER H H 60 7.715 7.715 7.564 0.151 18107
6963 1 16 . 1 1 44 44 GLU N N 61 124.072 124.072 121.065 3.007 18107
6964 1 16 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.909 -0.283 18107
6965 1 16 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.914 1.588 18107
6966 1 16 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.262 0.532 18107
6967 1 16 . 1 1 44 44 GLU H H 61 8.517 8.517 8.171 0.346 18107
6968 1 16 . 1 1 45 45 ALA N N 62 120.467 120.467 121.707 -1.240 18107
6969 1 16 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.049 0.100 18107
6970 1 16 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.882 0.344 18107
6971 1 16 . 1 1 45 45 ALA CB C 62 17.845 17.845 17.974 -0.129 18107
6972 1 16 . 1 1 45 45 ALA H H 62 7.853 7.853 7.463 0.390 18107
6973 1 16 . 1 1 46 46 PHE N N 63 119.936 119.936 116.905 3.031 18107
6974 1 16 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.176 0.089 18107
6975 1 16 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.730 2.806 18107
6976 1 16 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.462 1.730 18107
6977 1 16 . 1 1 46 46 PHE H H 63 7.946 7.946 7.034 0.912 18107
6978 1 16 . 1 1 47 47 ILE N N 64 122.630 122.630 120.305 2.325 18107
6979 1 16 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.514 0.106 18107
6980 1 16 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.160 2.198 18107
6981 1 16 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.005 1.376 18107
6982 1 16 . 1 1 47 47 ILE H H 64 8.595 8.595 7.855 0.740 18107
6983 1 16 . 1 1 48 48 GLU N N 65 120.257 120.257 119.472 0.785 18107
6984 1 16 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.054 0.535 18107
6985 1 16 . 1 1 48 48 GLU CA C 65 59.356 59.356 60.116 -0.760 18107
6986 1 16 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.556 0.045 18107
6987 1 16 . 1 1 48 48 GLU H H 65 9.078 9.078 8.302 0.776 18107
6988 1 16 . 1 1 49 49 GLY N N 66 108.368 108.368 106.783 1.585 18107
6989 1 16 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.658 0.495 18107
6990 1 16 . 1 1 49 49 GLY H H 66 8.379 8.379 8.300 0.079 18107
6991 1 16 . 1 1 50 50 SER N N 67 119.358 119.358 117.142 2.216 18107
6992 1 16 . 1 1 50 50 SER HA H 67 3.988 3.988 3.976 0.012 18107
6993 1 16 . 1 1 50 50 SER CA C 67 62.501 62.501 61.112 1.389 18107
6994 1 16 . 1 1 50 50 SER CB C 67 63.441 63.441 62.891 0.550 18107
6995 1 16 . 1 1 50 50 SER H H 67 7.694 7.694 8.063 -0.369 18107
6996 1 16 . 1 1 51 51 ARG N N 68 121.212 121.212 120.839 0.373 18107
6997 1 16 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.128 -0.220 18107
6998 1 16 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.438 1.603 18107
6999 1 16 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.309 0.448 18107
7000 1 16 . 1 1 51 51 ARG H H 68 8.684 8.684 7.915 0.769 18107
7001 1 16 . 1 1 52 52 GLY N N 69 124.556 124.556 106.237 18.319 18107
7002 1 16 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.725 0.538 18107
7003 1 16 . 1 1 52 52 GLY H H 69 8.068 8.068 8.095 -0.027 18107
7004 1 16 . 1 1 53 53 TYR N N 70 123.123 123.123 123.749 -0.626 18107
7005 1 16 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.118 -0.049 18107
7006 1 16 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.495 -0.675 18107
7007 1 16 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.445 -0.698 18107
7008 1 16 . 1 1 53 53 TYR H H 70 7.337 7.337 7.591 -0.254 18107
7009 1 16 . 1 1 54 54 PHE N N 71 117.809 117.809 118.043 -0.234 18107
7010 1 16 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.883 -0.216 18107
7011 1 16 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.857 -0.368 18107
7012 1 16 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.922 0.827 18107
7013 1 16 . 1 1 54 54 PHE H H 71 7.965 7.965 7.530 0.435 18107
7014 1 16 . 1 1 55 55 GLN N N 72 115.519 115.519 118.028 -2.509 18107
7015 1 16 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.020 -0.162 18107
7016 1 16 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.820 0.788 18107
7017 1 16 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.423 0.573 18107
7018 1 16 . 1 1 55 55 GLN H H 72 8.522 8.522 8.003 0.519 18107
7019 1 16 . 1 1 56 56 ARG N N 73 118.947 118.947 118.548 0.399 18107
7020 1 16 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.076 -0.204 18107
7021 1 16 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.320 1.601 18107
7022 1 16 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.706 0.380 18107
7023 1 16 . 1 1 56 56 ARG H H 73 7.677 7.677 7.571 0.106 18107
7024 1 16 . 1 1 57 57 GLU N N 74 121.204 121.204 120.962 0.242 18107
7025 1 16 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.932 -0.249 18107
7026 1 16 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.184 -0.250 18107
7027 1 16 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.945 0.748 18107
7028 1 16 . 1 1 57 57 GLU H H 74 7.897 7.897 8.183 -0.286 18107
7029 1 16 . 1 1 58 58 LEU N N 75 115.348 115.348 119.358 -4.010 18107
7030 1 16 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.148 -0.088 18107
7031 1 16 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.555 -0.661 18107
7032 1 16 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.108 0.222 18107
7033 1 16 . 1 1 58 58 LEU H H 75 7.746 7.746 7.711 0.035 18107
7034 1 16 . 1 1 59 59 LYS N N 76 117.429 117.429 116.229 1.200 18107
7035 1 16 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.264 -0.064 18107
7036 1 16 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.770 -0.162 18107
7037 1 16 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.379 0.504 18107
7038 1 16 . 1 1 59 59 LYS H H 76 7.233 7.233 7.840 -0.607 18107
7039 1 16 . 1 1 60 60 ARG N N 77 120.555 120.555 120.563 -0.008 18107
7040 1 16 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.116 0.010 18107
7041 1 16 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.652 -0.953 18107
7042 1 16 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.447 1.351 18107
7043 1 16 . 1 1 60 60 ARG H H 77 7.701 7.701 7.978 -0.277 18107
7044 1 16 . 1 1 61 61 THR N N 78 111.768 111.768 107.566 4.202 18107
7045 1 16 . 1 1 61 61 THR HA H 78 4.414 4.414 4.068 0.346 18107
7046 1 16 . 1 1 61 61 THR CA C 78 62.557 62.557 64.183 -1.626 18107
7047 1 16 . 1 1 61 61 THR CB C 78 69.221 69.221 68.087 1.134 18107
7048 1 16 . 1 1 61 61 THR H H 78 8.638 8.638 8.064 0.574 18107
7049 1 16 . 1 1 62 62 ASP N N 79 120.616 120.616 119.507 1.109 18107
7050 1 16 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.860 -0.228 18107
7051 1 16 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.187 -1.225 18107
7052 1 16 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.432 -1.186 18107
7053 1 16 . 1 1 62 62 ASP H H 79 8.465 8.465 8.395 0.070 18107
7054 1 16 . 1 1 63 63 LEU N N 80 120.063 120.063 116.932 3.131 18107
7055 1 16 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.869 -0.624 18107
7056 1 16 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.579 1.633 18107
7057 1 16 . 1 1 63 63 LEU CB C 80 43.795 43.795 46.178 -2.383 18107
7058 1 16 . 1 1 63 63 LEU H H 80 7.157 7.157 7.377 -0.220 18107
7059 1 16 . 1 1 64 64 ASP N N 81 125.396 125.396 121.797 3.599 18107
7060 1 16 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.954 -0.385 18107
7061 1 16 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.314 0.663 18107
7062 1 16 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.568 0.232 18107
7063 1 16 . 1 1 64 64 ASP H H 81 8.926 8.926 8.145 0.781 18107
7064 1 16 . 1 1 65 65 LEU N N 82 122.508 122.508 118.884 3.624 18107
7065 1 16 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.248 -0.410 18107
7066 1 16 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.044 0.777 18107
7067 1 16 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.689 0.506 18107
7068 1 16 . 1 1 65 65 LEU H H 82 8.281 8.281 8.226 0.056 18107
7069 1 16 . 1 1 66 66 LEU N N 83 119.413 119.413 120.138 -0.725 18107
7070 1 16 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.153 -0.081 18107
7071 1 16 . 1 1 66 66 LEU CA C 83 58.028 58.028 57.874 0.154 18107
7072 1 16 . 1 1 66 66 LEU CB C 83 41.351 41.351 39.831 1.520 18107
7073 1 16 . 1 1 66 66 LEU H H 83 8.149 8.149 8.050 0.099 18107
7074 1 16 . 1 1 67 67 GLU N N 84 119.941 119.941 118.997 0.944 18107
7075 1 16 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.781 0.065 18107
7076 1 16 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.055 -0.532 18107
7077 1 16 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.176 1.036 18107
7078 1 16 . 1 1 67 67 GLU H H 84 7.725 7.725 8.507 -0.782 18107
7079 1 16 . 1 1 68 68 LYS N N 85 119.400 119.400 119.374 0.026 18107
7080 1 16 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.837 -0.036 18107
7081 1 16 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.205 1.615 18107
7082 1 16 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.292 0.623 18107
7083 1 16 . 1 1 68 68 LYS H H 85 8.117 8.117 8.226 -0.109 18107
7084 1 16 . 1 1 69 69 PHE N N 86 117.969 117.969 120.321 -2.352 18107
7085 1 16 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.112 0.177 18107
7086 1 16 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.170 -0.301 18107
7087 1 16 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.865 -0.111 18107
7088 1 16 . 1 1 69 69 PHE H H 86 7.975 7.975 8.174 -0.199 18107
7089 1 16 . 1 1 70 70 ASN N N 87 118.904 118.904 118.461 0.443 18107
7090 1 16 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.162 0.199 18107
7091 1 16 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.664 -0.396 18107
7092 1 16 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.322 -0.224 18107
7093 1 16 . 1 1 70 70 ASN H H 87 8.259 8.259 7.286 0.973 18107
7094 1 16 . 1 1 71 71 PHE N N 88 121.068 121.068 118.504 2.564 18107
7095 1 16 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.272 0.995 18107
7096 1 16 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.376 1.411 18107
7097 1 16 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.093 0.937 18107
7098 1 16 . 1 1 71 71 PHE H H 88 8.618 8.618 7.319 1.299 18107
7099 1 16 . 1 1 72 72 GLU N N 89 120.500 120.500 119.301 1.199 18107
7100 1 16 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.885 -0.032 18107
7101 1 16 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.352 1.145 18107
7102 1 16 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.088 0.423 18107
7103 1 16 . 1 1 72 72 GLU H H 89 8.709 8.709 8.609 0.100 18107
7104 1 16 . 1 1 73 73 ALA N N 90 123.117 123.117 121.799 1.318 18107
7105 1 16 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.793 0.245 18107
7106 1 16 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.535 0.466 18107
7107 1 16 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.668 0.280 18107
7108 1 16 . 1 1 73 73 ALA H H 90 8.158 8.158 7.698 0.460 18107
7109 1 16 . 1 1 74 74 ALA N N 91 122.919 122.919 121.150 1.769 18107
7110 1 16 . 1 1 74 74 ALA HA H 91 3.951 3.951 3.659 0.292 18107
7111 1 16 . 1 1 74 74 ALA CA C 91 55.279 55.279 53.874 1.405 18107
7112 1 16 . 1 1 74 74 ALA CB C 91 17.666 17.666 17.922 -0.257 18107
7113 1 16 . 1 1 74 74 ALA H H 91 7.841 7.841 7.863 -0.022 18107
7114 1 16 . 1 1 75 75 LEU N N 92 119.956 119.956 119.426 0.530 18107
7115 1 16 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.044 0.003 18107
7116 1 16 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.056 0.403 18107
7117 1 16 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.721 0.438 18107
7118 1 16 . 1 1 75 75 LEU H H 92 8.091 8.091 8.163 -0.072 18107
7119 1 16 . 1 1 76 76 ALA N N 93 120.763 120.763 120.850 -0.087 18107
7120 1 16 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.066 0.064 18107
7121 1 16 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.116 0.288 18107
7122 1 16 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.209 -0.339 18107
7123 1 16 . 1 1 76 76 ALA H H 93 7.774 7.774 7.707 0.067 18107
7124 1 16 . 1 1 77 77 THR N N 94 117.510 117.510 115.937 1.573 18107
7125 1 16 . 1 1 77 77 THR HA H 94 4.234 4.234 4.010 0.224 18107
7126 1 16 . 1 1 77 77 THR CA C 94 67.364 67.364 66.521 0.843 18107
7127 1 16 . 1 1 77 77 THR CB C 94 68.779 68.779 68.165 0.614 18107
7128 1 16 . 1 1 77 77 THR H H 94 8.188 8.188 7.597 0.591 18107
7129 1 16 . 1 1 78 78 GLY N N 95 110.009 110.009 110.205 -0.196 18107
7130 1 16 . 1 1 78 78 GLY CA C 95 48.150 48.150 47.194 0.956 18107
7131 1 16 . 1 1 78 78 GLY H H 95 8.547 8.547 8.798 -0.251 18107
7132 1 16 . 1 1 79 79 ASP N N 96 121.634 121.634 122.984 -1.350 18107
7133 1 16 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.528 -0.260 18107
7134 1 16 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.268 0.668 18107
7135 1 16 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.715 -0.075 18107
7136 1 16 . 1 1 79 79 ASP H H 96 8.548 8.548 8.182 0.366 18107
7137 1 16 . 1 1 80 80 LEU N N 97 122.599 122.599 119.684 2.915 18107
7138 1 16 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.100 -0.092 18107
7139 1 16 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.838 0.604 18107
7140 1 16 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.263 -0.334 18107
7141 1 16 . 1 1 80 80 LEU H H 97 7.618 7.618 7.718 -0.100 18107
7142 1 16 . 1 1 81 81 LEU N N 98 119.913 119.913 117.917 1.996 18107
7143 1 16 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.159 -0.128 18107
7144 1 16 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.220 -0.412 18107
7145 1 16 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.356 1.004 18107
7146 1 16 . 1 1 81 81 LEU H H 98 8.224 8.224 7.872 0.352 18107
7147 1 16 . 1 1 82 82 LEU N N 99 118.616 118.616 120.741 -2.125 18107
7148 1 16 . 1 1 82 82 LEU HA H 99 3.975 3.975 4.090 -0.115 18107
7149 1 16 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.868 0.201 18107
7150 1 16 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.575 0.590 18107
7151 1 16 . 1 1 82 82 LEU H H 99 8.359 8.359 8.705 -0.346 18107
7152 1 16 . 1 1 83 83 LYS N N 100 118.988 118.988 118.791 0.197 18107
7153 1 16 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.970 -0.086 18107
7154 1 16 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.179 0.087 18107
7155 1 16 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.126 0.045 18107
7156 1 16 . 1 1 83 83 LYS H H 100 7.566 7.566 7.838 -0.272 18107
7157 1 16 . 1 1 84 84 ASP N N 101 121.591 121.591 120.709 0.882 18107
7158 1 16 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.493 -0.096 18107
7159 1 16 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.687 1.009 18107
7160 1 16 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.112 -0.707 18107
7161 1 16 . 1 1 84 84 ASP H H 101 7.743 7.743 7.840 -0.097 18107
7162 1 16 . 1 1 85 85 LEU N N 102 123.215 123.215 121.152 2.063 18107
7163 1 16 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.963 -0.113 18107
7164 1 16 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.198 1.643 18107
7165 1 16 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.979 0.593 18107
7166 1 16 . 1 1 85 85 LEU H H 102 8.760 8.760 8.332 0.428 18107
7167 1 16 . 1 1 86 86 LYS N N 103 119.648 119.648 118.394 1.254 18107
7168 1 16 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.051 0.017 18107
7169 1 16 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.343 -0.551 18107
7170 1 16 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.863 -0.731 18107
7171 1 16 . 1 1 86 86 LYS H H 103 8.883 8.883 7.867 1.016 18107
7172 1 16 . 1 1 87 87 ALA N N 104 122.844 122.844 122.425 0.419 18107
7173 1 16 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.188 -0.028 18107
7174 1 16 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.644 0.656 18107
7175 1 16 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.400 -0.380 18107
7176 1 16 . 1 1 87 87 ALA H H 104 7.721 7.721 7.712 0.009 18107
7177 1 16 . 1 1 88 88 LEU N N 105 120.380 120.380 118.686 1.694 18107
7178 1 16 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.077 -0.085 18107
7179 1 16 . 1 1 88 88 LEU CA C 105 58.186 58.186 57.877 0.309 18107
7180 1 16 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.176 1.627 18107
7181 1 16 . 1 1 88 88 LEU H H 105 7.762 7.762 8.264 -0.502 18107
7182 1 16 . 1 1 89 89 GLN N N 106 118.781 118.781 119.665 -0.884 18107
7183 1 16 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.899 -0.314 18107
7184 1 16 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.853 0.124 18107
7185 1 16 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.466 1.161 18107
7186 1 16 . 1 1 89 89 GLN H H 106 8.658 8.658 8.354 0.304 18107
7187 1 16 . 1 1 90 90 LYS N N 107 118.977 118.977 119.638 -0.661 18107
7188 1 16 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.046 -0.098 18107
7189 1 16 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.774 -0.279 18107
7190 1 16 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.106 0.317 18107
7191 1 16 . 1 1 90 90 LYS H H 107 7.786 7.786 7.753 0.033 18107
7192 1 16 . 1 1 91 91 ARG N N 108 117.470 117.470 120.194 -2.724 18107
7193 1 16 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.020 -0.017 18107
7194 1 16 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.724 -0.141 18107
7195 1 16 . 1 1 91 91 ARG CB C 108 31.628 31.628 29.988 1.640 18107
7196 1 16 . 1 1 91 91 ARG H H 108 7.469 7.469 7.630 -0.161 18107
7197 1 16 . 1 1 92 92 VAL N N 109 117.865 117.865 117.825 0.040 18107
7198 1 16 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.826 -0.344 18107
7199 1 16 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.161 1.450 18107
7200 1 16 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.750 0.460 18107
7201 1 16 . 1 1 92 92 VAL H H 109 8.084 8.084 8.402 -0.318 18107
7202 1 16 . 1 1 93 93 GLN N N 110 119.617 119.617 118.306 1.311 18107
7203 1 16 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.112 -0.236 18107
7204 1 16 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.054 1.180 18107
7205 1 16 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.734 0.290 18107
7206 1 16 . 1 1 93 93 GLN H H 110 8.512 8.512 8.325 0.187 18107
7207 1 16 . 1 1 94 94 ASP N N 111 117.490 117.490 118.945 -1.455 18107
7208 1 16 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.588 -0.097 18107
7209 1 16 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.434 -1.153 18107
7210 1 16 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.382 -1.547 18107
7211 1 16 . 1 1 94 94 ASP H H 111 8.194 8.194 7.804 0.390 18107
7212 1 16 . 1 1 95 95 SER N N 112 116.625 116.625 110.862 5.763 18107
7213 1 16 . 1 1 95 95 SER HA H 112 4.288 4.288 4.016 0.272 18107
7214 1 16 . 1 1 95 95 SER CA C 112 59.770 59.770 60.092 -0.322 18107
7215 1 16 . 1 1 95 95 SER CB C 112 63.990 63.990 61.520 2.470 18107
7216 1 16 . 1 1 95 95 SER H H 112 7.479 7.479 8.607 -1.128 18107
7217 1 17 . 1 1 2 2 THR HA H 19 4.222 4.222 4.003 0.219 18107
7218 1 17 . 1 1 2 2 THR CA C 19 63.013 63.013 64.873 -1.860 18107
7219 1 17 . 1 1 2 2 THR CB C 19 69.504 69.504 69.141 0.363 18107
7220 1 17 . 1 1 3 3 ALA N N 20 125.065 125.065 122.743 2.322 18107
7221 1 17 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.935 0.215 18107
7222 1 17 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.075 -0.119 18107
7223 1 17 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.189 0.808 18107
7224 1 17 . 1 1 3 3 ALA H H 20 8.404 8.404 8.402 0.002 18107
7225 1 17 . 1 1 4 4 THR N N 21 109.840 109.840 110.597 -0.757 18107
7226 1 17 . 1 1 4 4 THR HA H 21 4.235 4.235 3.938 0.297 18107
7227 1 17 . 1 1 4 4 THR CA C 21 64.668 64.668 65.008 -0.340 18107
7228 1 17 . 1 1 4 4 THR CB C 21 68.923 68.923 67.967 0.956 18107
7229 1 17 . 1 1 4 4 THR H H 21 7.910 7.910 7.685 0.225 18107
7230 1 17 . 1 1 5 5 GLN N N 22 122.037 122.037 118.823 3.214 18107
7231 1 17 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.996 0.055 18107
7232 1 17 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.581 -0.417 18107
7233 1 17 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.642 -0.085 18107
7234 1 17 . 1 1 5 5 GLN H H 22 7.953 7.953 7.666 0.287 18107
7235 1 17 . 1 1 6 6 ARG N N 23 118.944 118.944 118.971 -0.027 18107
7236 1 17 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.065 0.041 18107
7237 1 17 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.462 -0.370 18107
7238 1 17 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.383 -0.235 18107
7239 1 17 . 1 1 6 6 ARG H H 23 7.922 7.922 7.449 0.473 18107
7240 1 17 . 1 1 7 7 PHE N N 24 116.543 116.543 115.351 1.192 18107
7241 1 17 . 1 1 7 7 PHE H H 24 8.276 8.276 7.579 0.697 18107
7242 1 17 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.733 -0.238 18107
7243 1 17 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.600 2.420 18107
7244 1 17 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.724 -1.672 18107
7245 1 17 . 1 1 9 9 GLU N N 26 118.298 118.298 119.795 -1.497 18107
7246 1 17 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.173 -0.183 18107
7247 1 17 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.913 -0.535 18107
7248 1 17 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.658 -0.346 18107
7249 1 17 . 1 1 9 9 GLU H H 26 8.148 8.148 8.799 -0.651 18107
7250 1 17 . 1 1 10 10 ILE N N 27 121.761 121.761 117.769 3.992 18107
7251 1 17 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.789 0.175 18107
7252 1 17 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.473 -2.010 18107
7253 1 17 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.854 -0.604 18107
7254 1 17 . 1 1 10 10 ILE H H 27 8.165 8.165 8.364 -0.199 18107
7255 1 17 . 1 1 11 11 GLU N N 28 122.042 122.042 120.801 1.241 18107
7256 1 17 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.964 -0.127 18107
7257 1 17 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.114 0.514 18107
7258 1 17 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.454 0.552 18107
7259 1 17 . 1 1 11 11 GLU H H 28 8.541 8.541 8.356 0.185 18107
7260 1 17 . 1 1 12 12 LYS N N 29 117.967 117.967 118.962 -0.995 18107
7261 1 17 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.062 -0.120 18107
7262 1 17 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.459 0.282 18107
7263 1 17 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.237 0.215 18107
7264 1 17 . 1 1 12 12 LYS H H 29 7.517 7.517 7.895 -0.378 18107
7265 1 17 . 1 1 13 13 PHE N N 30 122.144 122.144 120.295 1.849 18107
7266 1 17 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.240 0.189 18107
7267 1 17 . 1 1 13 13 PHE CA C 30 60.787 60.787 62.392 -1.605 18107
7268 1 17 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.957 0.254 18107
7269 1 17 . 1 1 13 13 PHE H H 30 8.066 8.066 8.027 0.039 18107
7270 1 17 . 1 1 14 14 LEU N N 31 119.404 119.404 119.907 -0.503 18107
7271 1 17 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.012 -0.278 18107
7272 1 17 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.978 -1.214 18107
7273 1 17 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.639 -0.203 18107
7274 1 17 . 1 1 14 14 LEU H H 31 8.739 8.739 8.100 0.639 18107
7275 1 17 . 1 1 15 15 LEU N N 32 121.073 121.073 118.083 2.990 18107
7276 1 17 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.982 -0.022 18107
7277 1 17 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.952 0.380 18107
7278 1 17 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.862 1.099 18107
7279 1 17 . 1 1 15 15 LEU H H 32 7.736 7.736 7.640 0.096 18107
7280 1 17 . 1 1 16 16 HIS N N 33 118.629 118.629 119.556 -0.927 18107
7281 1 17 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.371 -0.025 18107
7282 1 17 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.728 -0.083 18107
7283 1 17 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.299 0.002 18107
7284 1 17 . 1 1 16 16 HIS H H 33 7.681 7.681 8.337 -0.656 18107
7285 1 17 . 1 1 17 17 ILE N N 34 118.602 118.602 120.515 -1.913 18107
7286 1 17 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.990 -0.185 18107
7287 1 17 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.799 -1.292 18107
7288 1 17 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.178 -0.733 18107
7289 1 17 . 1 1 17 17 ILE H H 34 8.502 8.502 8.822 -0.320 18107
7290 1 17 . 1 1 18 18 THR N N 35 117.776 117.776 116.286 1.490 18107
7291 1 17 . 1 1 18 18 THR HA H 35 4.116 4.116 3.994 0.122 18107
7292 1 17 . 1 1 18 18 THR CA C 35 68.694 68.694 66.650 2.044 18107
7293 1 17 . 1 1 18 18 THR CB C 35 68.694 68.694 68.110 0.584 18107
7294 1 17 . 1 1 18 18 THR H H 35 7.726 7.726 7.850 -0.124 18107
7295 1 17 . 1 1 19 19 HIS N N 36 118.130 118.130 120.839 -2.709 18107
7296 1 17 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.174 0.227 18107
7297 1 17 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.331 -0.545 18107
7298 1 17 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.904 -0.834 18107
7299 1 17 . 1 1 19 19 HIS H H 36 7.177 7.177 7.864 -0.687 18107
7300 1 17 . 1 1 20 20 GLU N N 37 119.301 119.301 118.488 0.813 18107
7301 1 17 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.033 0.017 18107
7302 1 17 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.514 0.043 18107
7303 1 17 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.761 0.295 18107
7304 1 17 . 1 1 20 20 GLU H H 37 7.335 7.335 7.975 -0.640 18107
7305 1 17 . 1 1 21 21 VAL N N 38 122.744 122.744 119.602 3.142 18107
7306 1 17 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.733 -0.311 18107
7307 1 17 . 1 1 21 21 VAL CA C 38 67.049 67.049 65.710 1.339 18107
7308 1 17 . 1 1 21 21 VAL CB C 38 31.373 31.373 30.943 0.430 18107
7309 1 17 . 1 1 21 21 VAL H H 38 8.385 8.385 7.492 0.893 18107
7310 1 17 . 1 1 22 22 ASP N N 39 120.471 120.471 120.720 -0.249 18107
7311 1 17 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.362 -0.215 18107
7312 1 17 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.926 -0.200 18107
7313 1 17 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.800 -0.413 18107
7314 1 17 . 1 1 22 22 ASP H H 39 8.054 8.054 7.766 0.288 18107
7315 1 17 . 1 1 23 23 ASP N N 40 118.541 118.541 120.293 -1.752 18107
7316 1 17 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.426 -0.006 18107
7317 1 17 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.254 0.233 18107
7318 1 17 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.085 0.089 18107
7319 1 17 . 1 1 23 23 ASP H H 40 7.587 7.587 7.965 -0.378 18107
7320 1 17 . 1 1 24 24 LEU N N 41 123.241 123.241 117.219 6.022 18107
7321 1 17 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.218 -0.050 18107
7322 1 17 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.130 -0.423 18107
7323 1 17 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.272 0.637 18107
7324 1 17 . 1 1 24 24 LEU H H 41 8.032 8.032 8.163 -0.131 18107
7325 1 17 . 1 1 25 25 GLU N N 42 117.508 117.508 120.525 -3.017 18107
7326 1 17 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.222 -0.302 18107
7327 1 17 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.268 -0.186 18107
7328 1 17 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.786 0.077 18107
7329 1 17 . 1 1 25 25 GLU H H 42 8.010 8.010 8.323 -0.313 18107
7330 1 17 . 1 1 26 26 LYS N N 43 117.032 117.032 115.224 1.808 18107
7331 1 17 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.346 -0.103 18107
7332 1 17 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.672 0.579 18107
7333 1 17 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.234 1.273 18107
7334 1 17 . 1 1 26 26 LYS H H 43 7.596 7.596 7.728 -0.132 18107
7335 1 17 . 1 1 27 27 THR N N 44 110.288 110.288 112.403 -2.115 18107
7336 1 17 . 1 1 27 27 THR HA H 44 4.271 4.271 4.433 -0.162 18107
7337 1 17 . 1 1 27 27 THR CA C 44 62.820 62.820 63.359 -0.539 18107
7338 1 17 . 1 1 27 27 THR CB C 44 70.733 70.733 70.148 0.585 18107
7339 1 17 . 1 1 27 27 THR H H 44 8.227 8.227 7.275 0.952 18107
7340 1 17 . 1 1 28 28 GLY N N 45 112.257 112.257 107.820 4.437 18107
7341 1 17 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.959 0.702 18107
7342 1 17 . 1 1 28 28 GLY H H 45 8.727 8.727 8.322 0.405 18107
7343 1 17 . 1 1 29 29 ASN N N 46 118.416 118.416 118.295 0.121 18107
7344 1 17 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.285 0.184 18107
7345 1 17 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.953 0.344 18107
7346 1 17 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.525 2.585 18107
7347 1 17 . 1 1 29 29 ASN H H 46 7.716 7.716 8.239 -0.523 18107
7348 1 17 . 1 1 30 30 LYS N N 47 126.481 126.481 119.326 7.155 18107
7349 1 17 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.142 -0.154 18107
7350 1 17 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.610 0.581 18107
7351 1 17 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.557 -0.044 18107
7352 1 17 . 1 1 30 30 LYS H H 47 8.770 8.770 8.447 0.323 18107
7353 1 17 . 1 1 31 31 ASP N N 48 121.710 121.710 115.093 6.617 18107
7354 1 17 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.805 -0.338 18107
7355 1 17 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.275 3.360 18107
7356 1 17 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.788 -1.344 18107
7357 1 17 . 1 1 31 31 ASP H H 48 8.229 8.229 8.156 0.073 18107
7358 1 17 . 1 1 32 32 GLU N N 49 121.695 121.695 121.912 -0.217 18107
7359 1 17 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.205 0.152 18107
7360 1 17 . 1 1 32 32 GLU H H 49 8.048 8.048 8.690 -0.642 18107
7361 1 17 . 1 1 33 33 LYS N N 50 120.099 120.099 119.023 1.076 18107
7362 1 17 . 1 1 33 33 LYS HA H 50 3.651 3.651 4.002 -0.351 18107
7363 1 17 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.575 0.262 18107
7364 1 17 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.789 1.178 18107
7365 1 17 . 1 1 33 33 LYS H H 50 7.975 7.975 8.526 -0.551 18107
7366 1 17 . 1 1 34 34 ALA N N 51 118.238 118.238 120.576 -2.338 18107
7367 1 17 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.042 -0.053 18107
7368 1 17 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.071 0.322 18107
7369 1 17 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.301 -0.089 18107
7370 1 17 . 1 1 34 34 ALA H H 51 7.614 7.614 8.361 -0.747 18107
7371 1 17 . 1 1 35 35 ARG N N 52 120.311 120.311 119.318 0.993 18107
7372 1 17 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.111 1.780 18107
7373 1 17 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.260 0.790 18107
7374 1 17 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.486 -0.075 18107
7375 1 17 . 1 1 35 35 ARG H H 52 7.883 7.883 7.702 0.181 18107
7376 1 17 . 1 1 36 36 LEU N N 53 119.541 119.541 119.818 -0.277 18107
7377 1 17 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.166 -0.220 18107
7378 1 17 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.424 0.065 18107
7379 1 17 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.264 1.178 18107
7380 1 17 . 1 1 36 36 LEU H H 53 8.553 8.553 8.716 -0.163 18107
7381 1 17 . 1 1 37 37 LEU N N 54 117.789 117.789 120.463 -2.674 18107
7382 1 17 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.885 0.180 18107
7383 1 17 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.113 0.529 18107
7384 1 17 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.417 -0.098 18107
7385 1 17 . 1 1 37 37 LEU H H 54 8.341 8.341 8.368 -0.027 18107
7386 1 17 . 1 1 38 38 ARG N N 55 121.176 121.176 118.673 2.503 18107
7387 1 17 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.042 0.026 18107
7388 1 17 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.924 1.401 18107
7389 1 17 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.862 0.208 18107
7390 1 17 . 1 1 38 38 ARG H H 55 7.864 7.864 7.813 0.051 18107
7391 1 17 . 1 1 39 39 GLU N N 56 119.256 119.256 120.710 -1.454 18107
7392 1 17 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.114 -0.054 18107
7393 1 17 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.497 0.397 18107
7394 1 17 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.467 0.434 18107
7395 1 17 . 1 1 39 39 GLU H H 56 8.390 8.390 7.727 0.663 18107
7396 1 17 . 1 1 40 40 LEU N N 57 120.312 120.312 117.572 2.740 18107
7397 1 17 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.200 -0.072 18107
7398 1 17 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.310 0.311 18107
7399 1 17 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.309 0.921 18107
7400 1 17 . 1 1 40 40 LEU H H 57 8.802 8.802 8.246 0.556 18107
7401 1 17 . 1 1 41 41 THR N N 58 117.791 117.791 117.519 0.272 18107
7402 1 17 . 1 1 41 41 THR HA H 58 4.341 4.341 4.154 0.187 18107
7403 1 17 . 1 1 41 41 THR CA C 58 67.542 67.542 66.526 1.016 18107
7404 1 17 . 1 1 41 41 THR CB C 58 69.157 69.157 68.311 0.846 18107
7405 1 17 . 1 1 41 41 THR H H 58 8.182 8.182 8.065 0.117 18107
7406 1 17 . 1 1 42 42 VAL N N 59 123.554 123.554 120.701 2.853 18107
7407 1 17 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.625 0.098 18107
7408 1 17 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.511 1.344 18107
7409 1 17 . 1 1 42 42 VAL H H 59 7.978 7.978 8.268 -0.290 18107
7410 1 17 . 1 1 43 43 SER N N 60 116.859 116.859 114.965 1.894 18107
7411 1 17 . 1 1 43 43 SER HA H 60 4.155 4.155 1.743 2.412 18107
7412 1 17 . 1 1 43 43 SER CA C 60 63.412 63.412 60.910 2.502 18107
7413 1 17 . 1 1 43 43 SER H H 60 7.715 7.715 7.533 0.182 18107
7414 1 17 . 1 1 44 44 GLU N N 61 124.072 124.072 120.539 3.533 18107
7415 1 17 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.749 -0.123 18107
7416 1 17 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.151 1.351 18107
7417 1 17 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.463 0.331 18107
7418 1 17 . 1 1 44 44 GLU H H 61 8.517 8.517 8.217 0.300 18107
7419 1 17 . 1 1 45 45 ALA N N 62 120.467 120.467 122.258 -1.791 18107
7420 1 17 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.053 0.096 18107
7421 1 17 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.972 0.254 18107
7422 1 17 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.309 -0.464 18107
7423 1 17 . 1 1 45 45 ALA H H 62 7.853 7.853 7.572 0.281 18107
7424 1 17 . 1 1 46 46 PHE N N 63 119.936 119.936 117.164 2.772 18107
7425 1 17 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.232 0.033 18107
7426 1 17 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.698 2.838 18107
7427 1 17 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.528 1.664 18107
7428 1 17 . 1 1 46 46 PHE H H 63 7.946 7.946 7.017 0.929 18107
7429 1 17 . 1 1 47 47 ILE N N 64 122.630 122.630 120.360 2.270 18107
7430 1 17 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.569 0.051 18107
7431 1 17 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.414 1.944 18107
7432 1 17 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.860 1.521 18107
7433 1 17 . 1 1 47 47 ILE H H 64 8.595 8.595 8.252 0.343 18107
7434 1 17 . 1 1 48 48 GLU N N 65 120.257 120.257 119.364 0.893 18107
7435 1 17 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.004 0.585 18107
7436 1 17 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.747 -0.391 18107
7437 1 17 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.369 0.232 18107
7438 1 17 . 1 1 48 48 GLU H H 65 9.078 9.078 8.233 0.845 18107
7439 1 17 . 1 1 49 49 GLY N N 66 108.368 108.368 107.277 1.091 18107
7440 1 17 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.712 0.441 18107
7441 1 17 . 1 1 49 49 GLY H H 66 8.379 8.379 8.275 0.104 18107
7442 1 17 . 1 1 50 50 SER N N 67 119.358 119.358 117.689 1.669 18107
7443 1 17 . 1 1 50 50 SER HA H 67 3.988 3.988 4.109 -0.121 18107
7444 1 17 . 1 1 50 50 SER CA C 67 62.501 62.501 61.631 0.870 18107
7445 1 17 . 1 1 50 50 SER CB C 67 63.441 63.441 63.248 0.193 18107
7446 1 17 . 1 1 50 50 SER H H 67 7.694 7.694 8.234 -0.540 18107
7447 1 17 . 1 1 51 51 ARG N N 68 121.212 121.212 119.513 1.699 18107
7448 1 17 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.246 -0.338 18107
7449 1 17 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.885 2.156 18107
7450 1 17 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.611 1.145 18107
7451 1 17 . 1 1 51 51 ARG H H 68 8.684 8.684 8.193 0.491 18107
7452 1 17 . 1 1 52 52 GLY N N 69 124.556 124.556 107.212 17.344 18107
7453 1 17 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.639 0.624 18107
7454 1 17 . 1 1 52 52 GLY H H 69 8.068 8.068 8.270 -0.202 18107
7455 1 17 . 1 1 53 53 TYR N N 70 123.123 123.123 123.439 -0.316 18107
7456 1 17 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.141 -0.072 18107
7457 1 17 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.360 -0.540 18107
7458 1 17 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.504 -0.757 18107
7459 1 17 . 1 1 53 53 TYR H H 70 7.337 7.337 7.622 -0.285 18107
7460 1 17 . 1 1 54 54 PHE N N 71 117.809 117.809 118.180 -0.371 18107
7461 1 17 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.020 -0.353 18107
7462 1 17 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.259 0.230 18107
7463 1 17 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.920 0.829 18107
7464 1 17 . 1 1 54 54 PHE H H 71 7.965 7.965 7.588 0.377 18107
7465 1 17 . 1 1 55 55 GLN N N 72 115.519 115.519 117.970 -2.451 18107
7466 1 17 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.065 -0.207 18107
7467 1 17 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.037 0.571 18107
7468 1 17 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.649 0.347 18107
7469 1 17 . 1 1 55 55 GLN H H 72 8.522 8.522 7.830 0.692 18107
7470 1 17 . 1 1 56 56 ARG N N 73 118.947 118.947 117.108 1.839 18107
7471 1 17 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.106 -0.234 18107
7472 1 17 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.420 1.501 18107
7473 1 17 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.903 0.183 18107
7474 1 17 . 1 1 56 56 ARG H H 73 7.677 7.677 7.663 0.014 18107
7475 1 17 . 1 1 57 57 GLU N N 74 121.204 121.204 121.552 -0.348 18107
7476 1 17 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.925 -0.243 18107
7477 1 17 . 1 1 57 57 GLU CA C 74 58.934 58.934 58.930 0.004 18107
7478 1 17 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.934 0.759 18107
7479 1 17 . 1 1 57 57 GLU H H 74 7.897 7.897 8.242 -0.345 18107
7480 1 17 . 1 1 58 58 LEU N N 75 115.348 115.348 118.823 -3.475 18107
7481 1 17 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.175 -0.115 18107
7482 1 17 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.675 -0.780 18107
7483 1 17 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.090 0.240 18107
7484 1 17 . 1 1 58 58 LEU H H 75 7.746 7.746 7.744 0.002 18107
7485 1 17 . 1 1 59 59 LYS N N 76 117.429 117.429 117.222 0.207 18107
7486 1 17 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.287 -0.087 18107
7487 1 17 . 1 1 59 59 LYS CA C 76 56.608 56.608 57.117 -0.509 18107
7488 1 17 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.284 0.599 18107
7489 1 17 . 1 1 59 59 LYS H H 76 7.233 7.233 7.812 -0.579 18107
7490 1 17 . 1 1 60 60 ARG N N 77 120.555 120.555 120.503 0.052 18107
7491 1 17 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.069 0.057 18107
7492 1 17 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.742 -1.043 18107
7493 1 17 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.412 1.386 18107
7494 1 17 . 1 1 60 60 ARG H H 77 7.701 7.701 8.053 -0.352 18107
7495 1 17 . 1 1 61 61 THR N N 78 111.768 111.768 107.474 4.294 18107
7496 1 17 . 1 1 61 61 THR HA H 78 4.414 4.414 4.108 0.306 18107
7497 1 17 . 1 1 61 61 THR CA C 78 62.557 62.557 64.374 -1.817 18107
7498 1 17 . 1 1 61 61 THR CB C 78 69.221 69.221 67.502 1.719 18107
7499 1 17 . 1 1 61 61 THR H H 78 8.638 8.638 8.226 0.412 18107
7500 1 17 . 1 1 62 62 ASP N N 79 120.616 120.616 119.967 0.649 18107
7501 1 17 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.877 -0.245 18107
7502 1 17 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.582 -1.620 18107
7503 1 17 . 1 1 62 62 ASP CB C 79 40.246 40.246 40.980 -0.734 18107
7504 1 17 . 1 1 62 62 ASP H H 79 8.465 8.465 8.430 0.035 18107
7505 1 17 . 1 1 63 63 LEU N N 80 120.063 120.063 117.332 2.731 18107
7506 1 17 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.755 -0.510 18107
7507 1 17 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.794 1.419 18107
7508 1 17 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.937 -2.142 18107
7509 1 17 . 1 1 63 63 LEU H H 80 7.157 7.157 7.457 -0.300 18107
7510 1 17 . 1 1 64 64 ASP N N 81 125.396 125.396 121.680 3.716 18107
7511 1 17 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.948 -0.379 18107
7512 1 17 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.431 0.546 18107
7513 1 17 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.581 0.219 18107
7514 1 17 . 1 1 64 64 ASP H H 81 8.926 8.926 8.212 0.714 18107
7515 1 17 . 1 1 65 65 LEU N N 82 122.508 122.508 119.437 3.071 18107
7516 1 17 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.178 -0.340 18107
7517 1 17 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.892 0.929 18107
7518 1 17 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.829 0.366 18107
7519 1 17 . 1 1 65 65 LEU H H 82 8.281 8.281 8.241 0.040 18107
7520 1 17 . 1 1 66 66 LEU N N 83 119.413 119.413 120.488 -1.075 18107
7521 1 17 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.275 -0.203 18107
7522 1 17 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.215 -0.187 18107
7523 1 17 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.359 0.992 18107
7524 1 17 . 1 1 66 66 LEU H H 83 8.149 8.149 8.169 -0.020 18107
7525 1 17 . 1 1 67 67 GLU N N 84 119.941 119.941 117.982 1.959 18107
7526 1 17 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.756 0.090 18107
7527 1 17 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.014 -0.491 18107
7528 1 17 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.912 1.300 18107
7529 1 17 . 1 1 67 67 GLU H H 84 7.725 7.725 8.457 -0.732 18107
7530 1 17 . 1 1 68 68 LYS N N 85 119.400 119.400 119.756 -0.356 18107
7531 1 17 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.804 -0.003 18107
7532 1 17 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.144 1.676 18107
7533 1 17 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.089 0.826 18107
7534 1 17 . 1 1 68 68 LYS H H 85 8.117 8.117 8.122 -0.005 18107
7535 1 17 . 1 1 69 69 PHE N N 86 117.969 117.969 118.665 -0.696 18107
7536 1 17 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.108 0.181 18107
7537 1 17 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.258 -0.389 18107
7538 1 17 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.600 0.155 18107
7539 1 17 . 1 1 69 69 PHE H H 86 7.975 7.975 8.110 -0.135 18107
7540 1 17 . 1 1 70 70 ASN N N 87 118.904 118.904 118.153 0.751 18107
7541 1 17 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.359 0.002 18107
7542 1 17 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.498 -0.230 18107
7543 1 17 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.686 -0.588 18107
7544 1 17 . 1 1 70 70 ASN H H 87 8.259 8.259 7.306 0.953 18107
7545 1 17 . 1 1 71 71 PHE N N 88 121.068 121.068 118.479 2.589 18107
7546 1 17 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.225 1.041 18107
7547 1 17 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.516 1.271 18107
7548 1 17 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.121 0.909 18107
7549 1 17 . 1 1 71 71 PHE H H 88 8.618 8.618 7.366 1.252 18107
7550 1 17 . 1 1 72 72 GLU N N 89 120.500 120.500 119.418 1.082 18107
7551 1 17 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.999 -0.146 18107
7552 1 17 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.535 0.962 18107
7553 1 17 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.160 0.351 18107
7554 1 17 . 1 1 72 72 GLU H H 89 8.709 8.709 8.713 -0.004 18107
7555 1 17 . 1 1 73 73 ALA N N 90 123.117 123.117 122.123 0.994 18107
7556 1 17 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.195 -0.157 18107
7557 1 17 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.927 0.074 18107
7558 1 17 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.133 -0.184 18107
7559 1 17 . 1 1 73 73 ALA H H 90 8.158 8.158 8.035 0.123 18107
7560 1 17 . 1 1 74 74 ALA N N 91 122.919 122.919 121.256 1.663 18107
7561 1 17 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.197 -0.246 18107
7562 1 17 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.584 0.695 18107
7563 1 17 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.384 -0.718 18107
7564 1 17 . 1 1 74 74 ALA H H 91 7.841 7.841 8.132 -0.291 18107
7565 1 17 . 1 1 75 75 LEU N N 92 119.956 119.956 119.799 0.157 18107
7566 1 17 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.160 -0.113 18107
7567 1 17 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.231 0.228 18107
7568 1 17 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.851 0.308 18107
7569 1 17 . 1 1 75 75 LEU H H 92 8.091 8.091 8.445 -0.354 18107
7570 1 17 . 1 1 76 76 ALA N N 93 120.763 120.763 120.934 -0.171 18107
7571 1 17 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.130 0.000 18107
7572 1 17 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.271 0.133 18107
7573 1 17 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.219 -0.349 18107
7574 1 17 . 1 1 76 76 ALA H H 93 7.774 7.774 7.897 -0.123 18107
7575 1 17 . 1 1 77 77 THR N N 94 117.510 117.510 115.822 1.688 18107
7576 1 17 . 1 1 77 77 THR HA H 94 4.234 4.234 4.031 0.203 18107
7577 1 17 . 1 1 77 77 THR CA C 94 67.364 67.364 67.216 0.148 18107
7578 1 17 . 1 1 77 77 THR CB C 94 68.779 68.779 68.939 -0.160 18107
7579 1 17 . 1 1 77 77 THR H H 94 8.188 8.188 7.820 0.368 18107
7580 1 17 . 1 1 78 78 GLY N N 95 110.009 110.009 109.380 0.629 18107
7581 1 17 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.650 1.500 18107
7582 1 17 . 1 1 78 78 GLY H H 95 8.547 8.547 8.825 -0.278 18107
7583 1 17 . 1 1 79 79 ASP N N 96 121.634 121.634 122.701 -1.067 18107
7584 1 17 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.431 -0.163 18107
7585 1 17 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.375 0.561 18107
7586 1 17 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.966 -0.326 18107
7587 1 17 . 1 1 79 79 ASP H H 96 8.548 8.548 8.112 0.436 18107
7588 1 17 . 1 1 80 80 LEU N N 97 122.599 122.599 119.590 3.009 18107
7589 1 17 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.071 -0.063 18107
7590 1 17 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.681 0.761 18107
7591 1 17 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.285 -0.356 18107
7592 1 17 . 1 1 80 80 LEU H H 97 7.618 7.618 7.665 -0.047 18107
7593 1 17 . 1 1 81 81 LEU N N 98 119.913 119.913 118.054 1.859 18107
7594 1 17 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.110 -0.079 18107
7595 1 17 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.154 -0.346 18107
7596 1 17 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.246 1.115 18107
7597 1 17 . 1 1 81 81 LEU H H 98 8.224 8.224 7.878 0.346 18107
7598 1 17 . 1 1 82 82 LEU N N 99 118.616 118.616 120.454 -1.838 18107
7599 1 17 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.856 0.119 18107
7600 1 17 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.952 0.117 18107
7601 1 17 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.599 0.566 18107
7602 1 17 . 1 1 82 82 LEU H H 99 8.359 8.359 8.582 -0.223 18107
7603 1 17 . 1 1 83 83 LYS N N 100 118.988 118.988 118.751 0.237 18107
7604 1 17 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.938 -0.054 18107
7605 1 17 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.096 0.171 18107
7606 1 17 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.104 0.067 18107
7607 1 17 . 1 1 83 83 LYS H H 100 7.566 7.566 7.780 -0.214 18107
7608 1 17 . 1 1 84 84 ASP N N 101 121.591 121.591 120.750 0.841 18107
7609 1 17 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.504 -0.107 18107
7610 1 17 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.696 1.000 18107
7611 1 17 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.782 -0.377 18107
7612 1 17 . 1 1 84 84 ASP H H 101 7.743 7.743 7.845 -0.102 18107
7613 1 17 . 1 1 85 85 LEU N N 102 123.215 123.215 120.325 2.890 18107
7614 1 17 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.873 -0.023 18107
7615 1 17 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.282 1.559 18107
7616 1 17 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.811 0.761 18107
7617 1 17 . 1 1 85 85 LEU H H 102 8.760 8.760 8.371 0.389 18107
7618 1 17 . 1 1 86 86 LYS N N 103 119.648 119.648 118.486 1.162 18107
7619 1 17 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.429 -0.361 18107
7620 1 17 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.161 -0.369 18107
7621 1 17 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.155 -1.023 18107
7622 1 17 . 1 1 86 86 LYS H H 103 8.883 8.883 7.814 1.069 18107
7623 1 17 . 1 1 87 87 ALA N N 104 122.844 122.844 121.993 0.851 18107
7624 1 17 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.209 -0.049 18107
7625 1 17 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.834 0.466 18107
7626 1 17 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.302 -0.282 18107
7627 1 17 . 1 1 87 87 ALA H H 104 7.721 7.721 7.640 0.081 18107
7628 1 17 . 1 1 88 88 LEU N N 105 120.380 120.380 118.814 1.566 18107
7629 1 17 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.008 -0.016 18107
7630 1 17 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.145 0.041 18107
7631 1 17 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.092 1.712 18107
7632 1 17 . 1 1 88 88 LEU H H 105 7.762 7.762 8.191 -0.429 18107
7633 1 17 . 1 1 89 89 GLN N N 106 118.781 118.781 119.392 -0.611 18107
7634 1 17 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.906 -0.321 18107
7635 1 17 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.487 0.490 18107
7636 1 17 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.470 1.157 18107
7637 1 17 . 1 1 89 89 GLN H H 106 8.658 8.658 7.960 0.698 18107
7638 1 17 . 1 1 90 90 LYS N N 107 118.977 118.977 118.912 0.065 18107
7639 1 17 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.134 -0.186 18107
7640 1 17 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.231 1.264 18107
7641 1 17 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.631 0.792 18107
7642 1 17 . 1 1 90 90 LYS H H 107 7.786 7.786 7.728 0.058 18107
7643 1 17 . 1 1 91 91 ARG N N 108 117.470 117.470 120.345 -2.875 18107
7644 1 17 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.108 -0.105 18107
7645 1 17 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.516 0.066 18107
7646 1 17 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.108 1.520 18107
7647 1 17 . 1 1 91 91 ARG H H 108 7.469 7.469 7.639 -0.170 18107
7648 1 17 . 1 1 92 92 VAL N N 109 117.865 117.865 120.440 -2.575 18107
7649 1 17 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.671 -0.189 18107
7650 1 17 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.673 -0.062 18107
7651 1 17 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.591 0.620 18107
7652 1 17 . 1 1 92 92 VAL H H 109 8.084 8.084 8.568 -0.484 18107
7653 1 17 . 1 1 93 93 GLN N N 110 119.617 119.617 117.654 1.963 18107
7654 1 17 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.993 -0.117 18107
7655 1 17 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.701 0.533 18107
7656 1 17 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.612 0.412 18107
7657 1 17 . 1 1 93 93 GLN H H 110 8.512 8.512 8.330 0.182 18107
7658 1 17 . 1 1 94 94 ASP N N 111 117.490 117.490 116.888 0.602 18107
7659 1 17 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.570 -0.079 18107
7660 1 17 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.725 -0.444 18107
7661 1 17 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.413 -1.579 18107
7662 1 17 . 1 1 94 94 ASP H H 111 8.194 8.194 7.785 0.409 18107
7663 1 17 . 1 1 95 95 SER N N 112 116.625 116.625 112.614 4.011 18107
7664 1 17 . 1 1 95 95 SER HA H 112 4.288 4.288 4.079 0.209 18107
7665 1 17 . 1 1 95 95 SER CA C 112 59.770 59.770 60.935 -1.165 18107
7666 1 17 . 1 1 95 95 SER CB C 112 63.990 63.990 61.388 2.602 18107
7667 1 17 . 1 1 95 95 SER H H 112 7.479 7.479 8.519 -1.040 18107
7668 1 18 . 1 1 2 2 THR HA H 19 4.222 4.222 4.220 0.002 18107
7669 1 18 . 1 1 2 2 THR CA C 19 63.013 63.013 64.872 -1.859 18107
7670 1 18 . 1 1 2 2 THR CB C 19 69.504 69.504 68.871 0.633 18107
7671 1 18 . 1 1 3 3 ALA N N 20 125.065 125.065 124.138 0.927 18107
7672 1 18 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.981 0.169 18107
7673 1 18 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.983 -0.027 18107
7674 1 18 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.423 0.574 18107
7675 1 18 . 1 1 3 3 ALA H H 20 8.404 8.404 8.459 -0.055 18107
7676 1 18 . 1 1 4 4 THR N N 21 109.840 109.840 111.181 -1.341 18107
7677 1 18 . 1 1 4 4 THR HA H 21 4.235 4.235 3.972 0.263 18107
7678 1 18 . 1 1 4 4 THR CA C 21 64.668 64.668 64.731 -0.063 18107
7679 1 18 . 1 1 4 4 THR CB C 21 68.923 68.923 68.088 0.835 18107
7680 1 18 . 1 1 4 4 THR H H 21 7.910 7.910 8.017 -0.107 18107
7681 1 18 . 1 1 5 5 GLN N N 22 122.037 122.037 120.102 1.935 18107
7682 1 18 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.857 0.194 18107
7683 1 18 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.721 -0.557 18107
7684 1 18 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.482 0.075 18107
7685 1 18 . 1 1 5 5 GLN H H 22 7.953 7.953 7.534 0.419 18107
7686 1 18 . 1 1 6 6 ARG N N 23 118.944 118.944 119.611 -0.667 18107
7687 1 18 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.069 0.037 18107
7688 1 18 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.665 -0.573 18107
7689 1 18 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.454 -0.307 18107
7690 1 18 . 1 1 6 6 ARG H H 23 7.922 7.922 7.437 0.485 18107
7691 1 18 . 1 1 7 7 PHE N N 24 116.543 116.543 115.217 1.326 18107
7692 1 18 . 1 1 7 7 PHE H H 24 8.276 8.276 7.662 0.614 18107
7693 1 18 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.601 -0.106 18107
7694 1 18 . 1 1 8 8 HIS CA C 25 60.020 60.020 59.014 1.006 18107
7695 1 18 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.642 -0.590 18107
7696 1 18 . 1 1 9 9 GLU N N 26 118.298 118.298 120.001 -1.703 18107
7697 1 18 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.164 -0.174 18107
7698 1 18 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.862 -0.484 18107
7699 1 18 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.467 -0.155 18107
7700 1 18 . 1 1 9 9 GLU H H 26 8.148 8.148 8.586 -0.438 18107
7701 1 18 . 1 1 10 10 ILE N N 27 121.761 121.761 117.290 4.471 18107
7702 1 18 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.733 0.231 18107
7703 1 18 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.615 -0.152 18107
7704 1 18 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.690 0.560 18107
7705 1 18 . 1 1 10 10 ILE H H 27 8.165 8.165 8.095 0.070 18107
7706 1 18 . 1 1 11 11 GLU N N 28 122.042 122.042 121.155 0.887 18107
7707 1 18 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.984 -0.147 18107
7708 1 18 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.613 1.015 18107
7709 1 18 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.181 0.825 18107
7710 1 18 . 1 1 11 11 GLU H H 28 8.541 8.541 7.876 0.665 18107
7711 1 18 . 1 1 12 12 LYS N N 29 117.967 117.967 119.432 -1.465 18107
7712 1 18 . 1 1 12 12 LYS HA H 29 3.942 3.942 3.804 0.138 18107
7713 1 18 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.252 0.489 18107
7714 1 18 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.210 0.242 18107
7715 1 18 . 1 1 12 12 LYS H H 29 7.517 7.517 7.893 -0.376 18107
7716 1 18 . 1 1 13 13 PHE N N 30 122.144 122.144 119.693 2.451 18107
7717 1 18 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.264 0.165 18107
7718 1 18 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.565 0.222 18107
7719 1 18 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.652 0.559 18107
7720 1 18 . 1 1 13 13 PHE H H 30 8.066 8.066 7.948 0.118 18107
7721 1 18 . 1 1 14 14 LEU N N 31 119.404 119.404 119.572 -0.168 18107
7722 1 18 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.873 -0.139 18107
7723 1 18 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.889 -1.125 18107
7724 1 18 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.505 -0.069 18107
7725 1 18 . 1 1 14 14 LEU H H 31 8.739 8.739 7.829 0.910 18107
7726 1 18 . 1 1 15 15 LEU N N 32 121.073 121.073 118.382 2.691 18107
7727 1 18 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.915 0.045 18107
7728 1 18 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.882 0.451 18107
7729 1 18 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.853 1.109 18107
7730 1 18 . 1 1 15 15 LEU H H 32 7.736 7.736 7.372 0.364 18107
7731 1 18 . 1 1 16 16 HIS N N 33 118.629 118.629 117.071 1.558 18107
7732 1 18 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.288 0.058 18107
7733 1 18 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.922 0.723 18107
7734 1 18 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.823 0.478 18107
7735 1 18 . 1 1 16 16 HIS H H 33 7.681 7.681 7.558 0.123 18107
7736 1 18 . 1 1 17 17 ILE N N 34 118.602 118.602 120.821 -2.219 18107
7737 1 18 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.684 0.121 18107
7738 1 18 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.149 -1.642 18107
7739 1 18 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.135 -0.690 18107
7740 1 18 . 1 1 17 17 ILE H H 34 8.502 8.502 8.648 -0.146 18107
7741 1 18 . 1 1 18 18 THR N N 35 117.776 117.776 116.234 1.542 18107
7742 1 18 . 1 1 18 18 THR HA H 35 4.116 4.116 3.891 0.225 18107
7743 1 18 . 1 1 18 18 THR CA C 35 68.694 68.694 67.343 1.351 18107
7744 1 18 . 1 1 18 18 THR CB C 35 68.694 68.694 68.683 0.011 18107
7745 1 18 . 1 1 18 18 THR H H 35 7.726 7.726 7.815 -0.089 18107
7746 1 18 . 1 1 19 19 HIS N N 36 118.130 118.130 120.475 -2.345 18107
7747 1 18 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.289 0.112 18107
7748 1 18 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.998 -0.212 18107
7749 1 18 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.627 -0.557 18107
7750 1 18 . 1 1 19 19 HIS H H 36 7.177 7.177 7.949 -0.772 18107
7751 1 18 . 1 1 20 20 GLU N N 37 119.301 119.301 118.365 0.936 18107
7752 1 18 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.062 -0.012 18107
7753 1 18 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.413 0.144 18107
7754 1 18 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.632 0.424 18107
7755 1 18 . 1 1 20 20 GLU H H 37 7.335 7.335 7.975 -0.640 18107
7756 1 18 . 1 1 21 21 VAL N N 38 122.744 122.744 120.088 2.656 18107
7757 1 18 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.679 -0.257 18107
7758 1 18 . 1 1 21 21 VAL CA C 38 67.049 67.049 65.983 1.066 18107
7759 1 18 . 1 1 21 21 VAL CB C 38 31.373 31.373 30.887 0.486 18107
7760 1 18 . 1 1 21 21 VAL H H 38 8.385 8.385 7.785 0.600 18107
7761 1 18 . 1 1 22 22 ASP N N 39 120.471 120.471 120.150 0.321 18107
7762 1 18 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.342 -0.195 18107
7763 1 18 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.884 -0.158 18107
7764 1 18 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.691 -0.304 18107
7765 1 18 . 1 1 22 22 ASP H H 39 8.054 8.054 7.812 0.242 18107
7766 1 18 . 1 1 23 23 ASP N N 40 118.541 118.541 120.511 -1.970 18107
7767 1 18 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.372 0.048 18107
7768 1 18 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.655 -0.168 18107
7769 1 18 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.050 0.124 18107
7770 1 18 . 1 1 23 23 ASP H H 40 7.587 7.587 7.647 -0.060 18107
7771 1 18 . 1 1 24 24 LEU N N 41 123.241 123.241 117.599 5.642 18107
7772 1 18 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.242 -0.074 18107
7773 1 18 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.799 -0.092 18107
7774 1 18 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.453 0.456 18107
7775 1 18 . 1 1 24 24 LEU H H 41 8.032 8.032 8.260 -0.228 18107
7776 1 18 . 1 1 25 25 GLU N N 42 117.508 117.508 118.014 -0.506 18107
7777 1 18 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.282 -0.361 18107
7778 1 18 . 1 1 25 25 GLU CA C 42 59.082 59.082 58.555 0.527 18107
7779 1 18 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.617 0.246 18107
7780 1 18 . 1 1 25 25 GLU H H 42 8.010 8.010 8.384 -0.374 18107
7781 1 18 . 1 1 26 26 LYS N N 43 117.032 117.032 118.313 -1.281 18107
7782 1 18 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.136 0.107 18107
7783 1 18 . 1 1 26 26 LYS CA C 43 58.251 58.251 58.228 0.023 18107
7784 1 18 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.466 1.041 18107
7785 1 18 . 1 1 26 26 LYS H H 43 7.596 7.596 7.551 0.045 18107
7786 1 18 . 1 1 27 27 THR N N 44 110.288 110.288 111.674 -1.386 18107
7787 1 18 . 1 1 27 27 THR HA H 44 4.271 4.271 4.296 -0.025 18107
7788 1 18 . 1 1 27 27 THR CA C 44 62.820 62.820 64.379 -1.559 18107
7789 1 18 . 1 1 27 27 THR CB C 44 70.733 70.733 70.186 0.547 18107
7790 1 18 . 1 1 27 27 THR H H 44 8.227 8.227 7.619 0.608 18107
7791 1 18 . 1 1 28 28 GLY N N 45 112.257 112.257 106.778 5.479 18107
7792 1 18 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.373 1.288 18107
7793 1 18 . 1 1 28 28 GLY H H 45 8.727 8.727 7.867 0.860 18107
7794 1 18 . 1 1 29 29 ASN N N 46 118.416 118.416 119.327 -0.911 18107
7795 1 18 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.269 0.200 18107
7796 1 18 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.819 0.478 18107
7797 1 18 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.314 2.796 18107
7798 1 18 . 1 1 29 29 ASN H H 46 7.716 7.716 8.359 -0.643 18107
7799 1 18 . 1 1 30 30 LYS N N 47 126.481 126.481 119.390 7.091 18107
7800 1 18 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.080 -0.092 18107
7801 1 18 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.769 0.422 18107
7802 1 18 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.480 0.033 18107
7803 1 18 . 1 1 30 30 LYS H H 47 8.770 8.770 8.405 0.365 18107
7804 1 18 . 1 1 31 31 ASP N N 48 121.710 121.710 114.778 6.932 18107
7805 1 18 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.757 -0.290 18107
7806 1 18 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.392 3.243 18107
7807 1 18 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.181 -0.737 18107
7808 1 18 . 1 1 31 31 ASP H H 48 8.229 8.229 7.981 0.248 18107
7809 1 18 . 1 1 32 32 GLU N N 49 121.695 121.695 120.987 0.708 18107
7810 1 18 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.097 0.260 18107
7811 1 18 . 1 1 32 32 GLU H H 49 8.048 8.048 8.560 -0.512 18107
7812 1 18 . 1 1 33 33 LYS N N 50 120.099 120.099 119.125 0.974 18107
7813 1 18 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.899 -0.248 18107
7814 1 18 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.604 0.233 18107
7815 1 18 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.042 0.925 18107
7816 1 18 . 1 1 33 33 LYS H H 50 7.975 7.975 8.551 -0.576 18107
7817 1 18 . 1 1 34 34 ALA N N 51 118.238 118.238 119.492 -1.254 18107
7818 1 18 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.007 -0.018 18107
7819 1 18 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.930 0.463 18107
7820 1 18 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.447 -0.235 18107
7821 1 18 . 1 1 34 34 ALA H H 51 7.614 7.614 8.394 -0.780 18107
7822 1 18 . 1 1 35 35 ARG N N 52 120.311 120.311 119.043 1.268 18107
7823 1 18 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.049 1.842 18107
7824 1 18 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.580 0.470 18107
7825 1 18 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.419 -0.008 18107
7826 1 18 . 1 1 35 35 ARG H H 52 7.883 7.883 7.725 0.158 18107
7827 1 18 . 1 1 36 36 LEU N N 53 119.541 119.541 119.318 0.223 18107
7828 1 18 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.133 -0.187 18107
7829 1 18 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.402 0.087 18107
7830 1 18 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.327 1.115 18107
7831 1 18 . 1 1 36 36 LEU H H 53 8.553 8.553 8.621 -0.068 18107
7832 1 18 . 1 1 37 37 LEU N N 54 117.789 117.789 120.267 -2.478 18107
7833 1 18 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.881 0.184 18107
7834 1 18 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.941 0.701 18107
7835 1 18 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.270 0.049 18107
7836 1 18 . 1 1 37 37 LEU H H 54 8.341 8.341 7.993 0.348 18107
7837 1 18 . 1 1 38 38 ARG N N 55 121.176 121.176 118.481 2.695 18107
7838 1 18 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.080 -0.012 18107
7839 1 18 . 1 1 38 38 ARG CA C 55 60.325 60.325 57.934 2.391 18107
7840 1 18 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.183 0.887 18107
7841 1 18 . 1 1 38 38 ARG H H 55 7.864 7.864 7.831 0.033 18107
7842 1 18 . 1 1 39 39 GLU N N 56 119.256 119.256 120.633 -1.377 18107
7843 1 18 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.138 -0.078 18107
7844 1 18 . 1 1 39 39 GLU CA C 56 59.894 59.894 60.077 -0.183 18107
7845 1 18 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.490 0.411 18107
7846 1 18 . 1 1 39 39 GLU H H 56 8.390 8.390 7.715 0.675 18107
7847 1 18 . 1 1 40 40 LEU N N 57 120.312 120.312 118.332 1.980 18107
7848 1 18 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.521 -0.393 18107
7849 1 18 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.849 0.772 18107
7850 1 18 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.532 0.697 18107
7851 1 18 . 1 1 40 40 LEU H H 57 8.802 8.802 8.147 0.655 18107
7852 1 18 . 1 1 41 41 THR N N 58 117.791 117.791 117.352 0.439 18107
7853 1 18 . 1 1 41 41 THR HA H 58 4.341 4.341 4.130 0.211 18107
7854 1 18 . 1 1 41 41 THR CA C 58 67.542 67.542 66.399 1.143 18107
7855 1 18 . 1 1 41 41 THR CB C 58 69.157 69.157 68.335 0.822 18107
7856 1 18 . 1 1 41 41 THR H H 58 8.182 8.182 8.230 -0.048 18107
7857 1 18 . 1 1 42 42 VAL N N 59 123.554 123.554 120.442 3.112 18107
7858 1 18 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.551 0.172 18107
7859 1 18 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.495 0.360 18107
7860 1 18 . 1 1 42 42 VAL H H 59 7.978 7.978 8.292 -0.314 18107
7861 1 18 . 1 1 43 43 SER N N 60 116.859 116.859 114.324 2.535 18107
7862 1 18 . 1 1 43 43 SER HA H 60 4.155 4.155 1.948 2.207 18107
7863 1 18 . 1 1 43 43 SER CA C 60 63.412 63.412 60.717 2.695 18107
7864 1 18 . 1 1 43 43 SER H H 60 7.715 7.715 7.718 -0.003 18107
7865 1 18 . 1 1 44 44 GLU N N 61 124.072 124.072 121.258 2.814 18107
7866 1 18 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.813 -0.187 18107
7867 1 18 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.867 1.635 18107
7868 1 18 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.510 0.284 18107
7869 1 18 . 1 1 44 44 GLU H H 61 8.517 8.517 8.208 0.309 18107
7870 1 18 . 1 1 45 45 ALA N N 62 120.467 120.467 122.273 -1.806 18107
7871 1 18 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.094 0.055 18107
7872 1 18 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.806 0.420 18107
7873 1 18 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.527 -0.682 18107
7874 1 18 . 1 1 45 45 ALA H H 62 7.853 7.853 7.512 0.341 18107
7875 1 18 . 1 1 46 46 PHE N N 63 119.936 119.936 117.042 2.894 18107
7876 1 18 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.251 0.014 18107
7877 1 18 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.737 2.799 18107
7878 1 18 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.594 1.598 18107
7879 1 18 . 1 1 46 46 PHE H H 63 7.946 7.946 7.080 0.866 18107
7880 1 18 . 1 1 47 47 ILE N N 64 122.630 122.630 120.413 2.217 18107
7881 1 18 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.673 -0.053 18107
7882 1 18 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.495 1.863 18107
7883 1 18 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.969 1.412 18107
7884 1 18 . 1 1 47 47 ILE H H 64 8.595 8.595 8.123 0.472 18107
7885 1 18 . 1 1 48 48 GLU N N 65 120.257 120.257 119.270 0.987 18107
7886 1 18 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.006 0.583 18107
7887 1 18 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.827 -0.471 18107
7888 1 18 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.336 0.265 18107
7889 1 18 . 1 1 48 48 GLU H H 65 9.078 9.078 8.103 0.975 18107
7890 1 18 . 1 1 49 49 GLY N N 66 108.368 108.368 107.352 1.016 18107
7891 1 18 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.804 0.349 18107
7892 1 18 . 1 1 49 49 GLY H H 66 8.379 8.379 8.221 0.158 18107
7893 1 18 . 1 1 50 50 SER N N 67 119.358 119.358 118.107 1.251 18107
7894 1 18 . 1 1 50 50 SER HA H 67 3.988 3.988 4.071 -0.083 18107
7895 1 18 . 1 1 50 50 SER CA C 67 62.501 62.501 61.771 0.730 18107
7896 1 18 . 1 1 50 50 SER CB C 67 63.441 63.441 63.000 0.441 18107
7897 1 18 . 1 1 50 50 SER H H 67 7.694 7.694 8.146 -0.452 18107
7898 1 18 . 1 1 51 51 ARG N N 68 121.212 121.212 121.293 -0.081 18107
7899 1 18 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.133 -0.225 18107
7900 1 18 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.674 1.367 18107
7901 1 18 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.231 0.526 18107
7902 1 18 . 1 1 51 51 ARG H H 68 8.684 8.684 7.871 0.813 18107
7903 1 18 . 1 1 52 52 GLY N N 69 124.556 124.556 106.461 18.095 18107
7904 1 18 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.782 0.481 18107
7905 1 18 . 1 1 52 52 GLY H H 69 8.068 8.068 8.049 0.019 18107
7906 1 18 . 1 1 53 53 TYR N N 70 123.123 123.123 123.342 -0.219 18107
7907 1 18 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.094 -0.025 18107
7908 1 18 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.603 -0.783 18107
7909 1 18 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.499 -0.752 18107
7910 1 18 . 1 1 53 53 TYR H H 70 7.337 7.337 7.569 -0.232 18107
7911 1 18 . 1 1 54 54 PHE N N 71 117.809 117.809 117.751 0.058 18107
7912 1 18 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.908 -0.241 18107
7913 1 18 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.467 0.022 18107
7914 1 18 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.946 0.803 18107
7915 1 18 . 1 1 54 54 PHE H H 71 7.965 7.965 7.498 0.467 18107
7916 1 18 . 1 1 55 55 GLN N N 72 115.519 115.519 118.473 -2.954 18107
7917 1 18 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.069 -0.211 18107
7918 1 18 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.207 0.401 18107
7919 1 18 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.675 0.321 18107
7920 1 18 . 1 1 55 55 GLN H H 72 8.522 8.522 7.854 0.668 18107
7921 1 18 . 1 1 56 56 ARG N N 73 118.947 118.947 118.060 0.887 18107
7922 1 18 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.085 -0.213 18107
7923 1 18 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.786 1.135 18107
7924 1 18 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.674 0.412 18107
7925 1 18 . 1 1 56 56 ARG H H 73 7.677 7.677 7.648 0.029 18107
7926 1 18 . 1 1 57 57 GLU N N 74 121.204 121.204 120.709 0.495 18107
7927 1 18 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.980 -0.298 18107
7928 1 18 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.076 -0.142 18107
7929 1 18 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.794 0.899 18107
7930 1 18 . 1 1 57 57 GLU H H 74 7.897 7.897 7.925 -0.028 18107
7931 1 18 . 1 1 58 58 LEU N N 75 115.348 115.348 119.024 -3.676 18107
7932 1 18 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.171 -0.111 18107
7933 1 18 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.522 -0.628 18107
7934 1 18 . 1 1 58 58 LEU CB C 75 42.330 42.330 41.995 0.335 18107
7935 1 18 . 1 1 58 58 LEU H H 75 7.746 7.746 7.784 -0.038 18107
7936 1 18 . 1 1 59 59 LYS N N 76 117.429 117.429 115.997 1.432 18107
7937 1 18 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.353 -0.153 18107
7938 1 18 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.629 0.979 18107
7939 1 18 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.373 0.510 18107
7940 1 18 . 1 1 59 59 LYS H H 76 7.233 7.233 7.689 -0.456 18107
7941 1 18 . 1 1 60 60 ARG N N 77 120.555 120.555 121.151 -0.596 18107
7942 1 18 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.091 0.035 18107
7943 1 18 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.734 -1.035 18107
7944 1 18 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.213 1.585 18107
7945 1 18 . 1 1 60 60 ARG H H 77 7.701 7.701 8.017 -0.316 18107
7946 1 18 . 1 1 61 61 THR N N 78 111.768 111.768 107.710 4.058 18107
7947 1 18 . 1 1 61 61 THR HA H 78 4.414 4.414 4.087 0.327 18107
7948 1 18 . 1 1 61 61 THR CA C 78 62.557 62.557 64.471 -1.914 18107
7949 1 18 . 1 1 61 61 THR CB C 78 69.221 69.221 67.341 1.880 18107
7950 1 18 . 1 1 61 61 THR H H 78 8.638 8.638 8.332 0.306 18107
7951 1 18 . 1 1 62 62 ASP N N 79 120.616 120.616 120.453 0.163 18107
7952 1 18 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.822 -0.190 18107
7953 1 18 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.422 -1.460 18107
7954 1 18 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.347 -1.101 18107
7955 1 18 . 1 1 62 62 ASP H H 79 8.465 8.465 8.704 -0.239 18107
7956 1 18 . 1 1 63 63 LEU N N 80 120.063 120.063 117.548 2.515 18107
7957 1 18 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.789 -0.544 18107
7958 1 18 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.887 1.325 18107
7959 1 18 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.550 -1.755 18107
7960 1 18 . 1 1 63 63 LEU H H 80 7.157 7.157 7.448 -0.291 18107
7961 1 18 . 1 1 64 64 ASP N N 81 125.396 125.396 122.012 3.384 18107
7962 1 18 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.966 -0.397 18107
7963 1 18 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.246 0.731 18107
7964 1 18 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.218 -0.418 18107
7965 1 18 . 1 1 64 64 ASP H H 81 8.926 8.926 8.198 0.728 18107
7966 1 18 . 1 1 65 65 LEU N N 82 122.508 122.508 120.375 2.133 18107
7967 1 18 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.399 -0.561 18107
7968 1 18 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.881 0.940 18107
7969 1 18 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.708 0.487 18107
7970 1 18 . 1 1 65 65 LEU H H 82 8.281 8.281 8.266 0.015 18107
7971 1 18 . 1 1 66 66 LEU N N 83 119.413 119.413 120.376 -0.963 18107
7972 1 18 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.107 -0.035 18107
7973 1 18 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.165 -0.137 18107
7974 1 18 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.361 0.990 18107
7975 1 18 . 1 1 66 66 LEU H H 83 8.149 8.149 8.140 0.009 18107
7976 1 18 . 1 1 67 67 GLU N N 84 119.941 119.941 117.940 2.001 18107
7977 1 18 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.754 0.092 18107
7978 1 18 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.229 -0.706 18107
7979 1 18 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.090 1.122 18107
7980 1 18 . 1 1 67 67 GLU H H 84 7.725 7.725 8.578 -0.853 18107
7981 1 18 . 1 1 68 68 LYS N N 85 119.400 119.400 119.600 -0.200 18107
7982 1 18 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.857 -0.056 18107
7983 1 18 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.248 1.572 18107
7984 1 18 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.304 0.611 18107
7985 1 18 . 1 1 68 68 LYS H H 85 8.117 8.117 8.169 -0.052 18107
7986 1 18 . 1 1 69 69 PHE N N 86 117.969 117.969 119.390 -1.421 18107
7987 1 18 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.105 0.184 18107
7988 1 18 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.934 -1.065 18107
7989 1 18 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.789 -0.035 18107
7990 1 18 . 1 1 69 69 PHE H H 86 7.975 7.975 8.133 -0.158 18107
7991 1 18 . 1 1 70 70 ASN N N 87 118.904 118.904 118.381 0.523 18107
7992 1 18 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.371 -0.010 18107
7993 1 18 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.505 -0.237 18107
7994 1 18 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.663 -0.565 18107
7995 1 18 . 1 1 70 70 ASN H H 87 8.259 8.259 7.275 0.984 18107
7996 1 18 . 1 1 71 71 PHE N N 88 121.068 121.068 118.476 2.592 18107
7997 1 18 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.346 0.920 18107
7998 1 18 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.595 1.192 18107
7999 1 18 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.097 0.932 18107
8000 1 18 . 1 1 71 71 PHE H H 88 8.618 8.618 7.352 1.266 18107
8001 1 18 . 1 1 72 72 GLU N N 89 120.500 120.500 119.373 1.127 18107
8002 1 18 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.922 -0.069 18107
8003 1 18 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.429 1.068 18107
8004 1 18 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.030 0.481 18107
8005 1 18 . 1 1 72 72 GLU H H 89 8.709 8.709 8.677 0.032 18107
8006 1 18 . 1 1 73 73 ALA N N 90 123.117 123.117 122.055 1.062 18107
8007 1 18 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.105 -0.067 18107
8008 1 18 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.850 0.151 18107
8009 1 18 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.096 -0.148 18107
8010 1 18 . 1 1 73 73 ALA H H 90 8.158 8.158 7.949 0.209 18107
8011 1 18 . 1 1 74 74 ALA N N 91 122.919 122.919 121.175 1.744 18107
8012 1 18 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.200 -0.249 18107
8013 1 18 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.613 0.666 18107
8014 1 18 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.390 -0.724 18107
8015 1 18 . 1 1 74 74 ALA H H 91 7.841 7.841 8.121 -0.280 18107
8016 1 18 . 1 1 75 75 LEU N N 92 119.956 119.956 119.757 0.199 18107
8017 1 18 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.120 -0.073 18107
8018 1 18 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.245 0.214 18107
8019 1 18 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.801 0.358 18107
8020 1 18 . 1 1 75 75 LEU H H 92 8.091 8.091 8.371 -0.280 18107
8021 1 18 . 1 1 76 76 ALA N N 93 120.763 120.763 120.934 -0.171 18107
8022 1 18 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.112 0.018 18107
8023 1 18 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.322 0.082 18107
8024 1 18 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.147 -0.277 18107
8025 1 18 . 1 1 76 76 ALA H H 93 7.774 7.774 7.932 -0.158 18107
8026 1 18 . 1 1 77 77 THR N N 94 117.510 117.510 116.802 0.708 18107
8027 1 18 . 1 1 77 77 THR HA H 94 4.234 4.234 4.041 0.193 18107
8028 1 18 . 1 1 77 77 THR CA C 94 67.364 67.364 68.137 -0.773 18107
8029 1 18 . 1 1 77 77 THR CB C 94 68.779 68.779 68.721 0.058 18107
8030 1 18 . 1 1 77 77 THR H H 94 8.188 8.188 7.853 0.335 18107
8031 1 18 . 1 1 78 78 GLY N N 95 110.009 110.009 109.494 0.515 18107
8032 1 18 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.561 1.589 18107
8033 1 18 . 1 1 78 78 GLY H H 95 8.547 8.547 8.795 -0.248 18107
8034 1 18 . 1 1 79 79 ASP N N 96 121.634 121.634 122.610 -0.976 18107
8035 1 18 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.426 -0.158 18107
8036 1 18 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.791 1.145 18107
8037 1 18 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.724 -0.084 18107
8038 1 18 . 1 1 79 79 ASP H H 96 8.548 8.548 8.088 0.460 18107
8039 1 18 . 1 1 80 80 LEU N N 97 122.599 122.599 119.592 3.007 18107
8040 1 18 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.045 -0.037 18107
8041 1 18 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.676 0.766 18107
8042 1 18 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.237 -0.308 18107
8043 1 18 . 1 1 80 80 LEU H H 97 7.618 7.618 7.607 0.011 18107
8044 1 18 . 1 1 81 81 LEU N N 98 119.913 119.913 118.296 1.617 18107
8045 1 18 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.250 -0.219 18107
8046 1 18 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.872 -0.064 18107
8047 1 18 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.289 1.072 18107
8048 1 18 . 1 1 81 81 LEU H H 98 8.224 8.224 7.901 0.323 18107
8049 1 18 . 1 1 82 82 LEU N N 99 118.616 118.616 120.695 -2.079 18107
8050 1 18 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.836 0.139 18107
8051 1 18 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.952 0.117 18107
8052 1 18 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.624 0.541 18107
8053 1 18 . 1 1 82 82 LEU H H 99 8.359 8.359 8.552 -0.193 18107
8054 1 18 . 1 1 83 83 LYS N N 100 118.988 118.988 118.691 0.297 18107
8055 1 18 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.944 -0.060 18107
8056 1 18 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.089 0.178 18107
8057 1 18 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.091 0.080 18107
8058 1 18 . 1 1 83 83 LYS H H 100 7.566 7.566 7.766 -0.200 18107
8059 1 18 . 1 1 84 84 ASP N N 101 121.591 121.591 120.651 0.940 18107
8060 1 18 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.478 -0.081 18107
8061 1 18 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.415 1.281 18107
8062 1 18 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.700 -0.295 18107
8063 1 18 . 1 1 84 84 ASP H H 101 7.743 7.743 7.888 -0.145 18107
8064 1 18 . 1 1 85 85 LEU N N 102 123.215 123.215 120.403 2.812 18107
8065 1 18 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.895 -0.045 18107
8066 1 18 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.370 1.471 18107
8067 1 18 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.819 0.753 18107
8068 1 18 . 1 1 85 85 LEU H H 102 8.760 8.760 8.309 0.451 18107
8069 1 18 . 1 1 86 86 LYS N N 103 119.648 119.648 117.898 1.750 18107
8070 1 18 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.056 0.012 18107
8071 1 18 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.758 0.034 18107
8072 1 18 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.202 -0.070 18107
8073 1 18 . 1 1 86 86 LYS H H 103 8.883 8.883 7.795 1.088 18107
8074 1 18 . 1 1 87 87 ALA N N 104 122.844 122.844 121.763 1.081 18107
8075 1 18 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.206 -0.046 18107
8076 1 18 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.686 0.614 18107
8077 1 18 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.182 -0.162 18107
8078 1 18 . 1 1 87 87 ALA H H 104 7.721 7.721 7.709 0.012 18107
8079 1 18 . 1 1 88 88 LEU N N 105 120.380 120.380 118.904 1.476 18107
8080 1 18 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.002 -0.010 18107
8081 1 18 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.246 -0.060 18107
8082 1 18 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.076 1.728 18107
8083 1 18 . 1 1 88 88 LEU H H 105 7.762 7.762 8.050 -0.288 18107
8084 1 18 . 1 1 89 89 GLN N N 106 118.781 118.781 119.729 -0.948 18107
8085 1 18 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.912 -0.327 18107
8086 1 18 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.603 0.374 18107
8087 1 18 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.533 1.094 18107
8088 1 18 . 1 1 89 89 GLN H H 106 8.658 8.658 8.048 0.610 18107
8089 1 18 . 1 1 90 90 LYS N N 107 118.977 118.977 119.701 -0.724 18107
8090 1 18 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.075 -0.127 18107
8091 1 18 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.498 -0.003 18107
8092 1 18 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.090 0.333 18107
8093 1 18 . 1 1 90 90 LYS H H 107 7.786 7.786 7.712 0.074 18107
8094 1 18 . 1 1 91 91 ARG N N 108 117.470 117.470 120.342 -2.872 18107
8095 1 18 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.066 -0.063 18107
8096 1 18 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.463 0.119 18107
8097 1 18 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.370 1.258 18107
8098 1 18 . 1 1 91 91 ARG H H 108 7.469 7.469 7.704 -0.235 18107
8099 1 18 . 1 1 92 92 VAL N N 109 117.865 117.865 120.134 -2.269 18107
8100 1 18 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.675 -0.193 18107
8101 1 18 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.097 0.514 18107
8102 1 18 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.617 0.594 18107
8103 1 18 . 1 1 92 92 VAL H H 109 8.084 8.084 8.524 -0.440 18107
8104 1 18 . 1 1 93 93 GLN N N 110 119.617 119.617 118.135 1.482 18107
8105 1 18 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.060 -0.184 18107
8106 1 18 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.707 0.527 18107
8107 1 18 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.594 0.430 18107
8108 1 18 . 1 1 93 93 GLN H H 110 8.512 8.512 8.396 0.116 18107
8109 1 18 . 1 1 94 94 ASP N N 111 117.490 117.490 119.122 -1.632 18107
8110 1 18 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.653 -0.162 18107
8111 1 18 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.602 -0.321 18107
8112 1 18 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.701 0.134 18107
8113 1 18 . 1 1 94 94 ASP H H 111 8.194 8.194 8.213 -0.019 18107
8114 1 18 . 1 1 95 95 SER N N 112 116.625 116.625 114.830 1.795 18107
8115 1 18 . 1 1 95 95 SER HA H 112 4.288 4.288 4.252 0.036 18107
8116 1 18 . 1 1 95 95 SER CA C 112 59.770 59.770 60.987 -1.217 18107
8117 1 18 . 1 1 95 95 SER CB C 112 63.990 63.990 63.444 0.546 18107
8118 1 18 . 1 1 95 95 SER H H 112 7.479 7.479 7.764 -0.285 18107
8119 1 19 . 1 1 2 2 THR HA H 19 4.222 4.222 3.998 0.224 18107
8120 1 19 . 1 1 2 2 THR CA C 19 63.013 63.013 65.591 -2.578 18107
8121 1 19 . 1 1 2 2 THR CB C 19 69.504 69.504 68.931 0.573 18107
8122 1 19 . 1 1 3 3 ALA N N 20 125.065 125.065 122.561 2.504 18107
8123 1 19 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.946 0.204 18107
8124 1 19 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.959 -0.002 18107
8125 1 19 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.052 0.945 18107
8126 1 19 . 1 1 3 3 ALA H H 20 8.404 8.404 7.889 0.515 18107
8127 1 19 . 1 1 4 4 THR N N 21 109.840 109.840 110.531 -0.691 18107
8128 1 19 . 1 1 4 4 THR HA H 21 4.235 4.235 3.901 0.334 18107
8129 1 19 . 1 1 4 4 THR CA C 21 64.668 64.668 64.802 -0.134 18107
8130 1 19 . 1 1 4 4 THR CB C 21 68.923 68.923 67.780 1.143 18107
8131 1 19 . 1 1 4 4 THR H H 21 7.910 7.910 8.533 -0.623 18107
8132 1 19 . 1 1 5 5 GLN N N 22 122.037 122.037 120.934 1.103 18107
8133 1 19 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.079 -0.028 18107
8134 1 19 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.529 -0.365 18107
8135 1 19 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.463 0.094 18107
8136 1 19 . 1 1 5 5 GLN H H 22 7.953 7.953 8.189 -0.236 18107
8137 1 19 . 1 1 6 6 ARG N N 23 118.944 118.944 118.768 0.176 18107
8138 1 19 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.124 -0.018 18107
8139 1 19 . 1 1 6 6 ARG CA C 23 58.092 58.092 57.982 0.110 18107
8140 1 19 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.544 -0.397 18107
8141 1 19 . 1 1 6 6 ARG H H 23 7.922 7.922 7.422 0.500 18107
8142 1 19 . 1 1 7 7 PHE N N 24 116.543 116.543 115.863 0.680 18107
8143 1 19 . 1 1 7 7 PHE H H 24 8.276 8.276 7.650 0.626 18107
8144 1 19 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.635 -0.140 18107
8145 1 19 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.669 2.351 18107
8146 1 19 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.469 -1.417 18107
8147 1 19 . 1 1 9 9 GLU N N 26 118.298 118.298 118.892 -0.594 18107
8148 1 19 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.091 -0.101 18107
8149 1 19 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.804 -0.426 18107
8150 1 19 . 1 1 9 9 GLU CB C 26 29.312 29.312 28.823 0.489 18107
8151 1 19 . 1 1 9 9 GLU H H 26 8.148 8.148 9.061 -0.913 18107
8152 1 19 . 1 1 10 10 ILE N N 27 121.761 121.761 120.185 1.576 18107
8153 1 19 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.812 0.152 18107
8154 1 19 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.993 -1.530 18107
8155 1 19 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.616 -0.366 18107
8156 1 19 . 1 1 10 10 ILE H H 27 8.165 8.165 7.821 0.344 18107
8157 1 19 . 1 1 11 11 GLU N N 28 122.042 122.042 120.756 1.286 18107
8158 1 19 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.924 -0.087 18107
8159 1 19 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.868 0.760 18107
8160 1 19 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.693 0.313 18107
8161 1 19 . 1 1 11 11 GLU H H 28 8.541 8.541 8.106 0.435 18107
8162 1 19 . 1 1 12 12 LYS N N 29 117.967 117.967 118.513 -0.546 18107
8163 1 19 . 1 1 12 12 LYS HA H 29 3.942 3.942 3.816 0.126 18107
8164 1 19 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.084 0.658 18107
8165 1 19 . 1 1 12 12 LYS CB C 29 32.452 32.452 31.892 0.559 18107
8166 1 19 . 1 1 12 12 LYS H H 29 7.517 7.517 8.474 -0.957 18107
8167 1 19 . 1 1 13 13 PHE N N 30 122.144 122.144 119.897 2.247 18107
8168 1 19 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.285 0.144 18107
8169 1 19 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.521 0.266 18107
8170 1 19 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.977 0.234 18107
8171 1 19 . 1 1 13 13 PHE H H 30 8.066 8.066 7.818 0.248 18107
8172 1 19 . 1 1 14 14 LEU N N 31 119.404 119.404 117.727 1.677 18107
8173 1 19 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.009 -0.275 18107
8174 1 19 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.371 -0.607 18107
8175 1 19 . 1 1 14 14 LEU CB C 31 41.436 41.436 40.779 0.657 18107
8176 1 19 . 1 1 14 14 LEU H H 31 8.739 8.739 8.407 0.332 18107
8177 1 19 . 1 1 15 15 LEU N N 32 121.073 121.073 119.221 1.852 18107
8178 1 19 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.045 -0.085 18107
8179 1 19 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.956 0.376 18107
8180 1 19 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.214 0.748 18107
8181 1 19 . 1 1 15 15 LEU H H 32 7.736 7.736 7.403 0.333 18107
8182 1 19 . 1 1 16 16 HIS N N 33 118.629 118.629 117.862 0.767 18107
8183 1 19 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.333 0.013 18107
8184 1 19 . 1 1 16 16 HIS CA C 33 59.645 59.645 57.766 1.879 18107
8185 1 19 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.426 0.875 18107
8186 1 19 . 1 1 16 16 HIS H H 33 7.681 7.681 7.449 0.232 18107
8187 1 19 . 1 1 17 17 ILE N N 34 118.602 118.602 121.097 -2.495 18107
8188 1 19 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.775 0.030 18107
8189 1 19 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.752 -1.245 18107
8190 1 19 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.993 -0.548 18107
8191 1 19 . 1 1 17 17 ILE H H 34 8.502 8.502 8.674 -0.172 18107
8192 1 19 . 1 1 18 18 THR N N 35 117.776 117.776 116.036 1.740 18107
8193 1 19 . 1 1 18 18 THR HA H 35 4.116 4.116 3.997 0.119 18107
8194 1 19 . 1 1 18 18 THR CA C 35 68.694 68.694 66.983 1.711 18107
8195 1 19 . 1 1 18 18 THR CB C 35 68.694 68.694 68.349 0.345 18107
8196 1 19 . 1 1 18 18 THR H H 35 7.726 7.726 7.784 -0.058 18107
8197 1 19 . 1 1 19 19 HIS N N 36 118.130 118.130 120.463 -2.333 18107
8198 1 19 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.248 0.153 18107
8199 1 19 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.851 -0.065 18107
8200 1 19 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.862 -0.792 18107
8201 1 19 . 1 1 19 19 HIS H H 36 7.177 7.177 7.898 -0.721 18107
8202 1 19 . 1 1 20 20 GLU N N 37 119.301 119.301 119.120 0.181 18107
8203 1 19 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.128 -0.078 18107
8204 1 19 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.101 0.456 18107
8205 1 19 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.629 0.427 18107
8206 1 19 . 1 1 20 20 GLU H H 37 7.335 7.335 8.120 -0.785 18107
8207 1 19 . 1 1 21 21 VAL N N 38 122.744 122.744 120.066 2.678 18107
8208 1 19 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.611 -0.189 18107
8209 1 19 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.886 0.163 18107
8210 1 19 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.659 -0.286 18107
8211 1 19 . 1 1 21 21 VAL H H 38 8.385 8.385 7.759 0.626 18107
8212 1 19 . 1 1 22 22 ASP N N 39 120.471 120.471 119.910 0.561 18107
8213 1 19 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.361 -0.214 18107
8214 1 19 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.426 0.300 18107
8215 1 19 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.631 -0.244 18107
8216 1 19 . 1 1 22 22 ASP H H 39 8.054 8.054 7.730 0.324 18107
8217 1 19 . 1 1 23 23 ASP N N 40 118.541 118.541 120.303 -1.762 18107
8218 1 19 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.385 0.035 18107
8219 1 19 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.169 0.318 18107
8220 1 19 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.892 0.282 18107
8221 1 19 . 1 1 23 23 ASP H H 40 7.587 7.587 7.721 -0.134 18107
8222 1 19 . 1 1 24 24 LEU N N 41 123.241 123.241 117.270 5.971 18107
8223 1 19 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.209 -0.041 18107
8224 1 19 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.256 -0.549 18107
8225 1 19 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.286 0.623 18107
8226 1 19 . 1 1 24 24 LEU H H 41 8.032 8.032 8.241 -0.209 18107
8227 1 19 . 1 1 25 25 GLU N N 42 117.508 117.508 119.961 -2.453 18107
8228 1 19 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.035 -0.115 18107
8229 1 19 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.361 -0.279 18107
8230 1 19 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.727 0.136 18107
8231 1 19 . 1 1 25 25 GLU H H 42 8.010 8.010 8.333 -0.323 18107
8232 1 19 . 1 1 26 26 LYS N N 43 117.032 117.032 115.323 1.709 18107
8233 1 19 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.366 -0.123 18107
8234 1 19 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.712 0.539 18107
8235 1 19 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.377 1.129 18107
8236 1 19 . 1 1 26 26 LYS H H 43 7.596 7.596 7.704 -0.108 18107
8237 1 19 . 1 1 27 27 THR N N 44 110.288 110.288 112.575 -2.287 18107
8238 1 19 . 1 1 27 27 THR HA H 44 4.271 4.271 4.405 -0.134 18107
8239 1 19 . 1 1 27 27 THR CA C 44 62.820 62.820 63.633 -0.813 18107
8240 1 19 . 1 1 27 27 THR CB C 44 70.733 70.733 70.038 0.695 18107
8241 1 19 . 1 1 27 27 THR H H 44 8.227 8.227 7.262 0.965 18107
8242 1 19 . 1 1 28 28 GLY N N 45 112.257 112.257 107.910 4.347 18107
8243 1 19 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.937 0.724 18107
8244 1 19 . 1 1 28 28 GLY H H 45 8.727 8.727 8.220 0.507 18107
8245 1 19 . 1 1 29 29 ASN N N 46 118.416 118.416 117.183 1.233 18107
8246 1 19 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.286 0.183 18107
8247 1 19 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.680 0.617 18107
8248 1 19 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.698 2.412 18107
8249 1 19 . 1 1 29 29 ASN H H 46 7.716 7.716 8.133 -0.417 18107
8250 1 19 . 1 1 30 30 LYS N N 47 126.481 126.481 118.803 7.678 18107
8251 1 19 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.031 -0.043 18107
8252 1 19 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.608 0.583 18107
8253 1 19 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.685 -0.172 18107
8254 1 19 . 1 1 30 30 LYS H H 47 8.770 8.770 8.653 0.117 18107
8255 1 19 . 1 1 31 31 ASP N N 48 121.710 121.710 113.081 8.629 18107
8256 1 19 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.715 -0.248 18107
8257 1 19 . 1 1 31 31 ASP CA C 48 57.635 57.635 53.966 3.669 18107
8258 1 19 . 1 1 31 31 ASP CB C 48 40.444 40.444 40.516 -0.071 18107
8259 1 19 . 1 1 31 31 ASP H H 48 8.229 8.229 7.980 0.249 18107
8260 1 19 . 1 1 32 32 GLU N N 49 121.695 121.695 121.262 0.433 18107
8261 1 19 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.131 0.226 18107
8262 1 19 . 1 1 32 32 GLU H H 49 8.048 8.048 8.584 -0.536 18107
8263 1 19 . 1 1 33 33 LYS N N 50 120.099 120.099 118.381 1.718 18107
8264 1 19 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.922 -0.271 18107
8265 1 19 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.549 0.288 18107
8266 1 19 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.981 0.986 18107
8267 1 19 . 1 1 33 33 LYS H H 50 7.975 7.975 8.481 -0.506 18107
8268 1 19 . 1 1 34 34 ALA N N 51 118.238 118.238 119.915 -1.677 18107
8269 1 19 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.032 -0.043 18107
8270 1 19 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.004 0.389 18107
8271 1 19 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.466 -0.254 18107
8272 1 19 . 1 1 34 34 ALA H H 51 7.614 7.614 8.317 -0.703 18107
8273 1 19 . 1 1 35 35 ARG N N 52 120.311 120.311 119.703 0.608 18107
8274 1 19 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.129 1.762 18107
8275 1 19 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.264 0.786 18107
8276 1 19 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.458 -0.047 18107
8277 1 19 . 1 1 35 35 ARG H H 52 7.883 7.883 7.729 0.154 18107
8278 1 19 . 1 1 36 36 LEU N N 53 119.541 119.541 119.717 -0.176 18107
8279 1 19 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.249 -0.303 18107
8280 1 19 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.036 0.452 18107
8281 1 19 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.475 0.967 18107
8282 1 19 . 1 1 36 36 LEU H H 53 8.553 8.553 8.627 -0.074 18107
8283 1 19 . 1 1 37 37 LEU N N 54 117.789 117.789 120.397 -2.608 18107
8284 1 19 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.869 0.196 18107
8285 1 19 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.072 0.570 18107
8286 1 19 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.504 -0.185 18107
8287 1 19 . 1 1 37 37 LEU H H 54 8.341 8.341 8.369 -0.028 18107
8288 1 19 . 1 1 38 38 ARG N N 55 121.176 121.176 117.302 3.874 18107
8289 1 19 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.091 -0.023 18107
8290 1 19 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.442 1.883 18107
8291 1 19 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.317 0.753 18107
8292 1 19 . 1 1 38 38 ARG H H 55 7.864 7.864 7.976 -0.112 18107
8293 1 19 . 1 1 39 39 GLU N N 56 119.256 119.256 121.156 -1.900 18107
8294 1 19 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.136 -0.076 18107
8295 1 19 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.616 0.278 18107
8296 1 19 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.841 0.060 18107
8297 1 19 . 1 1 39 39 GLU H H 56 8.390 8.390 7.798 0.592 18107
8298 1 19 . 1 1 40 40 LEU N N 57 120.312 120.312 117.416 2.896 18107
8299 1 19 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.317 -0.189 18107
8300 1 19 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.807 0.813 18107
8301 1 19 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.410 0.819 18107
8302 1 19 . 1 1 40 40 LEU H H 57 8.802 8.802 8.150 0.652 18107
8303 1 19 . 1 1 41 41 THR N N 58 117.791 117.791 117.703 0.088 18107
8304 1 19 . 1 1 41 41 THR HA H 58 4.341 4.341 3.821 0.520 18107
8305 1 19 . 1 1 41 41 THR CA C 58 67.542 67.542 66.952 0.590 18107
8306 1 19 . 1 1 41 41 THR CB C 58 69.157 69.157 68.686 0.471 18107
8307 1 19 . 1 1 41 41 THR H H 58 8.182 8.182 7.896 0.286 18107
8308 1 19 . 1 1 42 42 VAL N N 59 123.554 123.554 120.953 2.601 18107
8309 1 19 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.611 0.112 18107
8310 1 19 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.548 1.307 18107
8311 1 19 . 1 1 42 42 VAL H H 59 7.978 7.978 8.334 -0.356 18107
8312 1 19 . 1 1 43 43 SER N N 60 116.859 116.859 114.978 1.881 18107
8313 1 19 . 1 1 43 43 SER HA H 60 4.155 4.155 1.685 2.470 18107
8314 1 19 . 1 1 43 43 SER CA C 60 63.412 63.412 60.931 2.481 18107
8315 1 19 . 1 1 43 43 SER H H 60 7.715 7.715 7.595 0.120 18107
8316 1 19 . 1 1 44 44 GLU N N 61 124.072 124.072 120.972 3.100 18107
8317 1 19 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.751 -0.125 18107
8318 1 19 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.109 1.393 18107
8319 1 19 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.521 0.273 18107
8320 1 19 . 1 1 44 44 GLU H H 61 8.517 8.517 8.136 0.381 18107
8321 1 19 . 1 1 45 45 ALA N N 62 120.467 120.467 122.147 -1.680 18107
8322 1 19 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.270 -0.121 18107
8323 1 19 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.825 0.402 18107
8324 1 19 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.480 -0.635 18107
8325 1 19 . 1 1 45 45 ALA H H 62 7.853 7.853 7.558 0.295 18107
8326 1 19 . 1 1 46 46 PHE N N 63 119.936 119.936 117.374 2.562 18107
8327 1 19 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.201 0.064 18107
8328 1 19 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.874 2.662 18107
8329 1 19 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.448 1.744 18107
8330 1 19 . 1 1 46 46 PHE H H 63 7.946 7.946 7.052 0.894 18107
8331 1 19 . 1 1 47 47 ILE N N 64 122.630 122.630 120.275 2.355 18107
8332 1 19 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.523 0.097 18107
8333 1 19 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.365 1.992 18107
8334 1 19 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.810 1.571 18107
8335 1 19 . 1 1 47 47 ILE H H 64 8.595 8.595 7.918 0.677 18107
8336 1 19 . 1 1 48 48 GLU N N 65 120.257 120.257 119.163 1.094 18107
8337 1 19 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.960 0.629 18107
8338 1 19 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.557 -0.201 18107
8339 1 19 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.367 0.234 18107
8340 1 19 . 1 1 48 48 GLU H H 65 9.078 9.078 8.027 1.051 18107
8341 1 19 . 1 1 49 49 GLY N N 66 108.368 108.368 107.409 0.959 18107
8342 1 19 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.644 0.509 18107
8343 1 19 . 1 1 49 49 GLY H H 66 8.379 8.379 8.397 -0.018 18107
8344 1 19 . 1 1 50 50 SER N N 67 119.358 119.358 117.457 1.901 18107
8345 1 19 . 1 1 50 50 SER HA H 67 3.988 3.988 3.993 -0.005 18107
8346 1 19 . 1 1 50 50 SER CA C 67 62.501 62.501 61.282 1.219 18107
8347 1 19 . 1 1 50 50 SER CB C 67 63.441 63.441 63.145 0.296 18107
8348 1 19 . 1 1 50 50 SER H H 67 7.694 7.694 8.290 -0.596 18107
8349 1 19 . 1 1 51 51 ARG N N 68 121.212 121.212 120.799 0.413 18107
8350 1 19 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.130 -0.222 18107
8351 1 19 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.640 1.401 18107
8352 1 19 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.223 0.534 18107
8353 1 19 . 1 1 51 51 ARG H H 68 8.684 8.684 8.148 0.536 18107
8354 1 19 . 1 1 52 52 GLY N N 69 124.556 124.556 106.529 18.027 18107
8355 1 19 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.767 0.496 18107
8356 1 19 . 1 1 52 52 GLY H H 69 8.068 8.068 8.098 -0.030 18107
8357 1 19 . 1 1 53 53 TYR N N 70 123.123 123.123 123.309 -0.186 18107
8358 1 19 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.103 -0.034 18107
8359 1 19 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.650 -0.830 18107
8360 1 19 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.517 -0.770 18107
8361 1 19 . 1 1 53 53 TYR H H 70 7.337 7.337 7.595 -0.258 18107
8362 1 19 . 1 1 54 54 PHE N N 71 117.809 117.809 118.279 -0.470 18107
8363 1 19 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.942 -0.275 18107
8364 1 19 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.286 0.203 18107
8365 1 19 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.103 0.646 18107
8366 1 19 . 1 1 54 54 PHE H H 71 7.965 7.965 7.527 0.438 18107
8367 1 19 . 1 1 55 55 GLN N N 72 115.519 115.519 118.208 -2.689 18107
8368 1 19 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.015 -0.157 18107
8369 1 19 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.645 0.963 18107
8370 1 19 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.278 0.718 18107
8371 1 19 . 1 1 55 55 GLN H H 72 8.522 8.522 8.197 0.325 18107
8372 1 19 . 1 1 56 56 ARG N N 73 118.947 118.947 119.247 -0.300 18107
8373 1 19 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.081 -0.209 18107
8374 1 19 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.258 1.663 18107
8375 1 19 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.777 0.309 18107
8376 1 19 . 1 1 56 56 ARG H H 73 7.677 7.677 7.579 0.098 18107
8377 1 19 . 1 1 57 57 GLU N N 74 121.204 121.204 120.873 0.331 18107
8378 1 19 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.892 -0.210 18107
8379 1 19 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.145 -0.211 18107
8380 1 19 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.896 0.797 18107
8381 1 19 . 1 1 57 57 GLU H H 74 7.897 7.897 8.229 -0.332 18107
8382 1 19 . 1 1 58 58 LEU N N 75 115.348 115.348 119.447 -4.099 18107
8383 1 19 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.161 -0.101 18107
8384 1 19 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.597 -0.703 18107
8385 1 19 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.110 0.220 18107
8386 1 19 . 1 1 58 58 LEU H H 75 7.746 7.746 7.758 -0.012 18107
8387 1 19 . 1 1 59 59 LYS N N 76 117.429 117.429 115.650 1.779 18107
8388 1 19 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.332 -0.132 18107
8389 1 19 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.707 0.901 18107
8390 1 19 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.272 0.611 18107
8391 1 19 . 1 1 59 59 LYS H H 76 7.233 7.233 7.880 -0.647 18107
8392 1 19 . 1 1 60 60 ARG N N 77 120.555 120.555 120.158 0.397 18107
8393 1 19 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.066 0.060 18107
8394 1 19 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.658 -0.959 18107
8395 1 19 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.494 1.304 18107
8396 1 19 . 1 1 60 60 ARG H H 77 7.701 7.701 7.955 -0.254 18107
8397 1 19 . 1 1 61 61 THR N N 78 111.768 111.768 107.182 4.586 18107
8398 1 19 . 1 1 61 61 THR HA H 78 4.414 4.414 4.077 0.337 18107
8399 1 19 . 1 1 61 61 THR CA C 78 62.557 62.557 64.019 -1.462 18107
8400 1 19 . 1 1 61 61 THR CB C 78 69.221 69.221 68.135 1.086 18107
8401 1 19 . 1 1 61 61 THR H H 78 8.638 8.638 8.233 0.405 18107
8402 1 19 . 1 1 62 62 ASP N N 79 120.616 120.616 120.008 0.608 18107
8403 1 19 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.788 -0.156 18107
8404 1 19 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.518 -1.556 18107
8405 1 19 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.563 -1.317 18107
8406 1 19 . 1 1 62 62 ASP H H 79 8.465 8.465 8.472 -0.007 18107
8407 1 19 . 1 1 63 63 LEU N N 80 120.063 120.063 117.232 2.831 18107
8408 1 19 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.764 -0.519 18107
8409 1 19 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.890 1.322 18107
8410 1 19 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.590 -1.796 18107
8411 1 19 . 1 1 63 63 LEU H H 80 7.157 7.157 7.427 -0.270 18107
8412 1 19 . 1 1 64 64 ASP N N 81 125.396 125.396 122.071 3.325 18107
8413 1 19 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.948 -0.379 18107
8414 1 19 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.048 0.929 18107
8415 1 19 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.202 -0.402 18107
8416 1 19 . 1 1 64 64 ASP H H 81 8.926 8.926 8.310 0.616 18107
8417 1 19 . 1 1 65 65 LEU N N 82 122.508 122.508 121.595 0.913 18107
8418 1 19 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.164 -0.326 18107
8419 1 19 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.437 1.384 18107
8420 1 19 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.062 0.133 18107
8421 1 19 . 1 1 65 65 LEU H H 82 8.281 8.281 8.293 -0.012 18107
8422 1 19 . 1 1 66 66 LEU N N 83 119.413 119.413 121.110 -1.697 18107
8423 1 19 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.040 0.032 18107
8424 1 19 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.371 -0.343 18107
8425 1 19 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.260 1.091 18107
8426 1 19 . 1 1 66 66 LEU H H 83 8.149 8.149 8.176 -0.027 18107
8427 1 19 . 1 1 67 67 GLU N N 84 119.941 119.941 118.029 1.912 18107
8428 1 19 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.761 0.085 18107
8429 1 19 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.122 -0.599 18107
8430 1 19 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.937 1.275 18107
8431 1 19 . 1 1 67 67 GLU H H 84 7.725 7.725 8.449 -0.724 18107
8432 1 19 . 1 1 68 68 LYS N N 85 119.400 119.400 119.461 -0.061 18107
8433 1 19 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.872 -0.071 18107
8434 1 19 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.164 1.656 18107
8435 1 19 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.292 0.623 18107
8436 1 19 . 1 1 68 68 LYS H H 85 8.117 8.117 8.100 0.017 18107
8437 1 19 . 1 1 69 69 PHE N N 86 117.969 117.969 119.750 -1.781 18107
8438 1 19 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.102 0.187 18107
8439 1 19 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.044 -0.174 18107
8440 1 19 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.746 0.009 18107
8441 1 19 . 1 1 69 69 PHE H H 86 7.975 7.975 8.314 -0.339 18107
8442 1 19 . 1 1 70 70 ASN N N 87 118.904 118.904 117.878 1.026 18107
8443 1 19 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.133 0.228 18107
8444 1 19 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.568 -0.300 18107
8445 1 19 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.126 -0.028 18107
8446 1 19 . 1 1 70 70 ASN H H 87 8.259 8.259 7.319 0.940 18107
8447 1 19 . 1 1 71 71 PHE N N 88 121.068 121.068 118.347 2.721 18107
8448 1 19 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.414 0.852 18107
8449 1 19 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.432 1.355 18107
8450 1 19 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.463 0.567 18107
8451 1 19 . 1 1 71 71 PHE H H 88 8.618 8.618 7.359 1.259 18107
8452 1 19 . 1 1 72 72 GLU N N 89 120.500 120.500 120.136 0.364 18107
8453 1 19 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.959 -0.106 18107
8454 1 19 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.237 1.260 18107
8455 1 19 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.410 0.101 18107
8456 1 19 . 1 1 72 72 GLU H H 89 8.709 8.709 8.655 0.054 18107
8457 1 19 . 1 1 73 73 ALA N N 90 123.117 123.117 121.638 1.479 18107
8458 1 19 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.859 0.179 18107
8459 1 19 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.582 0.419 18107
8460 1 19 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.709 0.239 18107
8461 1 19 . 1 1 73 73 ALA H H 90 8.158 8.158 7.758 0.400 18107
8462 1 19 . 1 1 74 74 ALA N N 91 122.919 122.919 121.633 1.286 18107
8463 1 19 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.170 -0.219 18107
8464 1 19 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.350 0.929 18107
8465 1 19 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.224 -0.558 18107
8466 1 19 . 1 1 74 74 ALA H H 91 7.841 7.841 8.040 -0.199 18107
8467 1 19 . 1 1 75 75 LEU N N 92 119.956 119.956 119.590 0.366 18107
8468 1 19 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.099 -0.052 18107
8469 1 19 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.295 0.164 18107
8470 1 19 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.782 0.377 18107
8471 1 19 . 1 1 75 75 LEU H H 92 8.091 8.091 8.285 -0.194 18107
8472 1 19 . 1 1 76 76 ALA N N 93 120.763 120.763 120.923 -0.160 18107
8473 1 19 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.095 0.035 18107
8474 1 19 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.276 0.128 18107
8475 1 19 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.112 -0.242 18107
8476 1 19 . 1 1 76 76 ALA H H 93 7.774 7.774 7.786 -0.012 18107
8477 1 19 . 1 1 77 77 THR N N 94 117.510 117.510 115.945 1.565 18107
8478 1 19 . 1 1 77 77 THR HA H 94 4.234 4.234 3.958 0.276 18107
8479 1 19 . 1 1 77 77 THR CA C 94 67.364 67.364 67.521 -0.157 18107
8480 1 19 . 1 1 77 77 THR CB C 94 68.779 68.779 68.833 -0.054 18107
8481 1 19 . 1 1 77 77 THR H H 94 8.188 8.188 7.745 0.443 18107
8482 1 19 . 1 1 78 78 GLY N N 95 110.009 110.009 108.985 1.024 18107
8483 1 19 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.537 1.613 18107
8484 1 19 . 1 1 78 78 GLY H H 95 8.547 8.547 8.751 -0.204 18107
8485 1 19 . 1 1 79 79 ASP N N 96 121.634 121.634 122.750 -1.116 18107
8486 1 19 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.437 -0.169 18107
8487 1 19 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.925 1.011 18107
8488 1 19 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.827 -0.187 18107
8489 1 19 . 1 1 79 79 ASP H H 96 8.548 8.548 7.941 0.607 18107
8490 1 19 . 1 1 80 80 LEU N N 97 122.599 122.599 119.286 3.313 18107
8491 1 19 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.203 -0.195 18107
8492 1 19 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.201 0.241 18107
8493 1 19 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.795 0.134 18107
8494 1 19 . 1 1 80 80 LEU H H 97 7.618 7.618 7.630 -0.011 18107
8495 1 19 . 1 1 81 81 LEU N N 98 119.913 119.913 118.192 1.721 18107
8496 1 19 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.526 -0.495 18107
8497 1 19 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.549 0.259 18107
8498 1 19 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.288 1.073 18107
8499 1 19 . 1 1 81 81 LEU H H 98 8.224 8.224 7.695 0.529 18107
8500 1 19 . 1 1 82 82 LEU N N 99 118.616 118.616 120.766 -2.150 18107
8501 1 19 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.828 0.147 18107
8502 1 19 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.016 0.053 18107
8503 1 19 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.620 0.545 18107
8504 1 19 . 1 1 82 82 LEU H H 99 8.359 8.359 8.585 -0.226 18107
8505 1 19 . 1 1 83 83 LYS N N 100 118.988 118.988 119.119 -0.131 18107
8506 1 19 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.958 -0.074 18107
8507 1 19 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.962 0.305 18107
8508 1 19 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.104 0.067 18107
8509 1 19 . 1 1 83 83 LYS H H 100 7.566 7.566 7.838 -0.272 18107
8510 1 19 . 1 1 84 84 ASP N N 101 121.591 121.591 121.034 0.557 18107
8511 1 19 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.464 -0.067 18107
8512 1 19 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.072 0.624 18107
8513 1 19 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.644 -0.239 18107
8514 1 19 . 1 1 84 84 ASP H H 101 7.743 7.743 7.823 -0.080 18107
8515 1 19 . 1 1 85 85 LEU N N 102 123.215 123.215 120.319 2.896 18107
8516 1 19 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.944 -0.094 18107
8517 1 19 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.312 1.528 18107
8518 1 19 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.759 0.813 18107
8519 1 19 . 1 1 85 85 LEU H H 102 8.760 8.760 8.378 0.382 18107
8520 1 19 . 1 1 86 86 LYS N N 103 119.648 119.648 117.983 1.665 18107
8521 1 19 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.104 -0.036 18107
8522 1 19 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.730 0.062 18107
8523 1 19 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.354 -0.222 18107
8524 1 19 . 1 1 86 86 LYS H H 103 8.883 8.883 7.825 1.058 18107
8525 1 19 . 1 1 87 87 ALA N N 104 122.844 122.844 122.002 0.842 18107
8526 1 19 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.209 -0.049 18107
8527 1 19 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.701 0.599 18107
8528 1 19 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.291 -0.271 18107
8529 1 19 . 1 1 87 87 ALA H H 104 7.721 7.721 7.703 0.018 18107
8530 1 19 . 1 1 88 88 LEU N N 105 120.380 120.380 118.623 1.757 18107
8531 1 19 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.052 -0.060 18107
8532 1 19 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.045 0.141 18107
8533 1 19 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.201 1.603 18107
8534 1 19 . 1 1 88 88 LEU H H 105 7.762 7.762 8.191 -0.429 18107
8535 1 19 . 1 1 89 89 GLN N N 106 118.781 118.781 119.362 -0.581 18107
8536 1 19 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.911 -0.326 18107
8537 1 19 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.434 0.543 18107
8538 1 19 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.486 1.141 18107
8539 1 19 . 1 1 89 89 GLN H H 106 8.658 8.658 8.096 0.562 18107
8540 1 19 . 1 1 90 90 LYS N N 107 118.977 118.977 119.264 -0.287 18107
8541 1 19 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.095 -0.147 18107
8542 1 19 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.367 1.128 18107
8543 1 19 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.820 0.603 18107
8544 1 19 . 1 1 90 90 LYS H H 107 7.786 7.786 7.681 0.105 18107
8545 1 19 . 1 1 91 91 ARG N N 108 117.470 117.470 120.122 -2.652 18107
8546 1 19 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.115 -0.112 18107
8547 1 19 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.442 0.140 18107
8548 1 19 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.364 1.264 18107
8549 1 19 . 1 1 91 91 ARG H H 108 7.469 7.469 7.651 -0.182 18107
8550 1 19 . 1 1 92 92 VAL N N 109 117.865 117.865 120.065 -2.200 18107
8551 1 19 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.729 -0.247 18107
8552 1 19 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.274 0.337 18107
8553 1 19 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.772 0.439 18107
8554 1 19 . 1 1 92 92 VAL H H 109 8.084 8.084 8.420 -0.336 18107
8555 1 19 . 1 1 93 93 GLN N N 110 119.617 119.617 117.478 2.139 18107
8556 1 19 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.080 -0.204 18107
8557 1 19 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.705 0.529 18107
8558 1 19 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.659 0.365 18107
8559 1 19 . 1 1 93 93 GLN H H 110 8.512 8.512 8.265 0.247 18107
8560 1 19 . 1 1 94 94 ASP N N 111 117.490 117.490 119.822 -2.332 18107
8561 1 19 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.512 -0.021 18107
8562 1 19 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.047 -0.766 18107
8563 1 19 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.615 0.220 18107
8564 1 19 . 1 1 94 94 ASP H H 111 8.194 8.194 8.301 -0.107 18107
8565 1 19 . 1 1 95 95 SER N N 112 116.625 116.625 114.747 1.878 18107
8566 1 19 . 1 1 95 95 SER HA H 112 4.288 4.288 4.281 0.007 18107
8567 1 19 . 1 1 95 95 SER CA C 112 59.770 59.770 60.791 -1.021 18107
8568 1 19 . 1 1 95 95 SER CB C 112 63.990 63.990 63.472 0.518 18107
8569 1 19 . 1 1 95 95 SER H H 112 7.479 7.479 7.712 -0.233 18107
8570 1 20 . 1 1 2 2 THR HA H 19 4.222 4.222 4.123 0.099 18107
8571 1 20 . 1 1 2 2 THR CA C 19 63.013 63.013 65.572 -2.559 18107
8572 1 20 . 1 1 2 2 THR CB C 19 69.504 69.504 68.782 0.722 18107
8573 1 20 . 1 1 3 3 ALA N N 20 125.065 125.065 123.171 1.894 18107
8574 1 20 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.948 0.202 18107
8575 1 20 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.024 -0.068 18107
8576 1 20 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.055 0.942 18107
8577 1 20 . 1 1 3 3 ALA H H 20 8.404 8.404 8.429 -0.025 18107
8578 1 20 . 1 1 4 4 THR N N 21 109.840 109.840 112.230 -2.390 18107
8579 1 20 . 1 1 4 4 THR HA H 21 4.235 4.235 4.076 0.159 18107
8580 1 20 . 1 1 4 4 THR CA C 21 64.668 64.668 64.699 -0.031 18107
8581 1 20 . 1 1 4 4 THR CB C 21 68.923 68.923 67.912 1.011 18107
8582 1 20 . 1 1 4 4 THR H H 21 7.910 7.910 8.173 -0.263 18107
8583 1 20 . 1 1 5 5 GLN N N 22 122.037 122.037 120.983 1.054 18107
8584 1 20 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.111 -0.060 18107
8585 1 20 . 1 1 5 5 GLN CA C 22 58.164 58.164 59.102 -0.938 18107
8586 1 20 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.647 -0.090 18107
8587 1 20 . 1 1 5 5 GLN H H 22 7.953 7.953 7.771 0.182 18107
8588 1 20 . 1 1 6 6 ARG N N 23 118.944 118.944 119.395 -0.451 18107
8589 1 20 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.065 0.041 18107
8590 1 20 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.444 -0.352 18107
8591 1 20 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.323 -0.176 18107
8592 1 20 . 1 1 6 6 ARG H H 23 7.922 7.922 7.467 0.455 18107
8593 1 20 . 1 1 7 7 PHE N N 24 116.543 116.543 115.235 1.308 18107
8594 1 20 . 1 1 7 7 PHE H H 24 8.276 8.276 7.662 0.614 18107
8595 1 20 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.508 -0.013 18107
8596 1 20 . 1 1 8 8 HIS CA C 25 60.020 60.020 60.221 -0.201 18107
8597 1 20 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.884 -0.832 18107
8598 1 20 . 1 1 9 9 GLU N N 26 118.298 118.298 119.380 -1.082 18107
8599 1 20 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.156 -0.166 18107
8600 1 20 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.931 -0.553 18107
8601 1 20 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.250 0.062 18107
8602 1 20 . 1 1 9 9 GLU H H 26 8.148 8.148 8.702 -0.554 18107
8603 1 20 . 1 1 10 10 ILE N N 27 121.761 121.761 116.731 5.030 18107
8604 1 20 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.770 0.194 18107
8605 1 20 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.334 0.129 18107
8606 1 20 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.597 0.653 18107
8607 1 20 . 1 1 10 10 ILE H H 27 8.165 8.165 8.070 0.095 18107
8608 1 20 . 1 1 11 11 GLU N N 28 122.042 122.042 121.863 0.179 18107
8609 1 20 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.922 -0.085 18107
8610 1 20 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.223 0.405 18107
8611 1 20 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.232 0.774 18107
8612 1 20 . 1 1 11 11 GLU H H 28 8.541 8.541 7.796 0.745 18107
8613 1 20 . 1 1 12 12 LYS N N 29 117.967 117.967 118.627 -0.660 18107
8614 1 20 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.092 -0.150 18107
8615 1 20 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.359 0.382 18107
8616 1 20 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.379 0.073 18107
8617 1 20 . 1 1 12 12 LYS H H 29 7.517 7.517 7.789 -0.272 18107
8618 1 20 . 1 1 13 13 PHE N N 30 122.144 122.144 120.376 1.768 18107
8619 1 20 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.382 0.047 18107
8620 1 20 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.664 0.123 18107
8621 1 20 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.580 0.631 18107
8622 1 20 . 1 1 13 13 PHE H H 30 8.066 8.066 8.079 -0.013 18107
8623 1 20 . 1 1 14 14 LEU N N 31 119.404 119.404 120.532 -1.128 18107
8624 1 20 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.958 -0.224 18107
8625 1 20 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.423 -0.659 18107
8626 1 20 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.956 -0.520 18107
8627 1 20 . 1 1 14 14 LEU H H 31 8.739 8.739 8.704 0.035 18107
8628 1 20 . 1 1 15 15 LEU N N 32 121.073 121.073 117.773 3.300 18107
8629 1 20 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.117 -0.157 18107
8630 1 20 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.140 0.192 18107
8631 1 20 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.094 0.868 18107
8632 1 20 . 1 1 15 15 LEU H H 32 7.736 7.736 7.685 0.051 18107
8633 1 20 . 1 1 16 16 HIS N N 33 118.629 118.629 118.609 0.020 18107
8634 1 20 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.361 -0.015 18107
8635 1 20 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.456 1.189 18107
8636 1 20 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.960 0.341 18107
8637 1 20 . 1 1 16 16 HIS H H 33 7.681 7.681 8.143 -0.462 18107
8638 1 20 . 1 1 17 17 ILE N N 34 118.602 118.602 120.614 -2.012 18107
8639 1 20 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.864 -0.059 18107
8640 1 20 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.515 -1.008 18107
8641 1 20 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.175 -0.730 18107
8642 1 20 . 1 1 17 17 ILE H H 34 8.502 8.502 8.686 -0.184 18107
8643 1 20 . 1 1 18 18 THR N N 35 117.776 117.776 116.113 1.663 18107
8644 1 20 . 1 1 18 18 THR HA H 35 4.116 4.116 3.970 0.146 18107
8645 1 20 . 1 1 18 18 THR CA C 35 68.694 68.694 67.089 1.605 18107
8646 1 20 . 1 1 18 18 THR CB C 35 68.694 68.694 68.409 0.285 18107
8647 1 20 . 1 1 18 18 THR H H 35 7.726 7.726 7.864 -0.139 18107
8648 1 20 . 1 1 19 19 HIS N N 36 118.130 118.130 120.956 -2.826 18107
8649 1 20 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.606 -0.205 18107
8650 1 20 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.557 0.229 18107
8651 1 20 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.411 -0.341 18107
8652 1 20 . 1 1 19 19 HIS H H 36 7.177 7.177 7.997 -0.820 18107
8653 1 20 . 1 1 20 20 GLU N N 37 119.301 119.301 118.784 0.517 18107
8654 1 20 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.039 0.011 18107
8655 1 20 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.400 0.157 18107
8656 1 20 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.492 0.563 18107
8657 1 20 . 1 1 20 20 GLU H H 37 7.335 7.335 7.935 -0.600 18107
8658 1 20 . 1 1 21 21 VAL N N 38 122.744 122.744 119.923 2.821 18107
8659 1 20 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.630 -0.208 18107
8660 1 20 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.373 0.676 18107
8661 1 20 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.468 -0.095 18107
8662 1 20 . 1 1 21 21 VAL H H 38 8.385 8.385 7.725 0.660 18107
8663 1 20 . 1 1 22 22 ASP N N 39 120.471 120.471 120.832 -0.361 18107
8664 1 20 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.426 -0.279 18107
8665 1 20 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.477 0.249 18107
8666 1 20 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.184 0.204 18107
8667 1 20 . 1 1 22 22 ASP H H 39 8.054 8.054 7.878 0.176 18107
8668 1 20 . 1 1 23 23 ASP N N 40 118.541 118.541 120.211 -1.670 18107
8669 1 20 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.359 0.061 18107
8670 1 20 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.568 -0.081 18107
8671 1 20 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.974 0.200 18107
8672 1 20 . 1 1 23 23 ASP H H 40 7.587 7.587 8.016 -0.429 18107
8673 1 20 . 1 1 24 24 LEU N N 41 123.241 123.241 117.271 5.970 18107
8674 1 20 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.181 -0.013 18107
8675 1 20 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.156 -0.449 18107
8676 1 20 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.228 0.681 18107
8677 1 20 . 1 1 24 24 LEU H H 41 8.032 8.032 8.149 -0.117 18107
8678 1 20 . 1 1 25 25 GLU N N 42 117.508 117.508 120.051 -2.543 18107
8679 1 20 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.079 -0.159 18107
8680 1 20 . 1 1 25 25 GLU CA C 42 59.082 59.082 58.948 0.134 18107
8681 1 20 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.756 0.107 18107
8682 1 20 . 1 1 25 25 GLU H H 42 8.010 8.010 8.164 -0.154 18107
8683 1 20 . 1 1 26 26 LYS N N 43 117.032 117.032 115.471 1.561 18107
8684 1 20 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.435 -0.192 18107
8685 1 20 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.240 1.011 18107
8686 1 20 . 1 1 26 26 LYS CB C 43 33.507 33.507 33.017 0.490 18107
8687 1 20 . 1 1 26 26 LYS H H 43 7.596 7.596 7.733 -0.137 18107
8688 1 20 . 1 1 27 27 THR N N 44 110.288 110.288 112.563 -2.275 18107
8689 1 20 . 1 1 27 27 THR HA H 44 4.271 4.271 4.462 -0.191 18107
8690 1 20 . 1 1 27 27 THR CA C 44 62.820 62.820 63.908 -1.088 18107
8691 1 20 . 1 1 27 27 THR CB C 44 70.733 70.733 70.308 0.425 18107
8692 1 20 . 1 1 27 27 THR H H 44 8.227 8.227 8.043 0.184 18107
8693 1 20 . 1 1 28 28 GLY N N 45 112.257 112.257 107.710 4.547 18107
8694 1 20 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.882 0.779 18107
8695 1 20 . 1 1 28 28 GLY H H 45 8.727 8.727 7.945 0.782 18107
8696 1 20 . 1 1 29 29 ASN N N 46 118.416 118.416 116.781 1.635 18107
8697 1 20 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.418 0.051 18107
8698 1 20 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.346 0.951 18107
8699 1 20 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.503 1.607 18107
8700 1 20 . 1 1 29 29 ASN H H 46 7.716 7.716 8.551 -0.835 18107
8701 1 20 . 1 1 30 30 LYS N N 47 126.481 126.481 118.842 7.639 18107
8702 1 20 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.150 -0.162 18107
8703 1 20 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.006 1.185 18107
8704 1 20 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.477 0.036 18107
8705 1 20 . 1 1 30 30 LYS H H 47 8.770 8.770 8.147 0.623 18107
8706 1 20 . 1 1 31 31 ASP N N 48 121.710 121.710 114.687 7.023 18107
8707 1 20 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.755 -0.288 18107
8708 1 20 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.385 3.250 18107
8709 1 20 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.815 -1.371 18107
8710 1 20 . 1 1 31 31 ASP H H 48 8.229 8.229 8.143 0.086 18107
8711 1 20 . 1 1 32 32 GLU N N 49 121.695 121.695 121.663 0.032 18107
8712 1 20 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.085 0.272 18107
8713 1 20 . 1 1 32 32 GLU H H 49 8.048 8.048 8.706 -0.658 18107
8714 1 20 . 1 1 33 33 LYS N N 50 120.099 120.099 120.351 -0.252 18107
8715 1 20 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.888 -0.237 18107
8716 1 20 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.439 0.398 18107
8717 1 20 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.124 0.843 18107
8718 1 20 . 1 1 33 33 LYS H H 50 7.975 7.975 8.105 -0.130 18107
8719 1 20 . 1 1 34 34 ALA N N 51 118.238 118.238 119.335 -1.097 18107
8720 1 20 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.026 -0.037 18107
8721 1 20 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.040 0.353 18107
8722 1 20 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.228 -0.016 18107
8723 1 20 . 1 1 34 34 ALA H H 51 7.614 7.614 8.383 -0.769 18107
8724 1 20 . 1 1 35 35 ARG N N 52 120.311 120.311 119.289 1.022 18107
8725 1 20 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.075 1.816 18107
8726 1 20 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.253 0.797 18107
8727 1 20 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.531 -0.120 18107
8728 1 20 . 1 1 35 35 ARG H H 52 7.883 7.883 7.802 0.081 18107
8729 1 20 . 1 1 36 36 LEU N N 53 119.541 119.541 119.160 0.381 18107
8730 1 20 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.101 -0.155 18107
8731 1 20 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.133 0.356 18107
8732 1 20 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.198 1.244 18107
8733 1 20 . 1 1 36 36 LEU H H 53 8.553 8.553 8.481 0.072 18107
8734 1 20 . 1 1 37 37 LEU N N 54 117.789 117.789 120.202 -2.413 18107
8735 1 20 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.843 0.222 18107
8736 1 20 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.064 0.578 18107
8737 1 20 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.407 -0.088 18107
8738 1 20 . 1 1 37 37 LEU H H 54 8.341 8.341 7.975 0.366 18107
8739 1 20 . 1 1 38 38 ARG N N 55 121.176 121.176 118.127 3.049 18107
8740 1 20 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.043 0.025 18107
8741 1 20 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.163 1.162 18107
8742 1 20 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.801 0.269 18107
8743 1 20 . 1 1 38 38 ARG H H 55 7.864 7.864 7.910 -0.046 18107
8744 1 20 . 1 1 39 39 GLU N N 56 119.256 119.256 121.163 -1.907 18107
8745 1 20 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.092 -0.032 18107
8746 1 20 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.880 0.014 18107
8747 1 20 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.567 0.334 18107
8748 1 20 . 1 1 39 39 GLU H H 56 8.390 8.390 7.763 0.627 18107
8749 1 20 . 1 1 40 40 LEU N N 57 120.312 120.312 117.867 2.445 18107
8750 1 20 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.226 -0.098 18107
8751 1 20 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.311 0.310 18107
8752 1 20 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.431 0.798 18107
8753 1 20 . 1 1 40 40 LEU H H 57 8.802 8.802 7.968 0.834 18107
8754 1 20 . 1 1 41 41 THR N N 58 117.791 117.791 117.784 0.007 18107
8755 1 20 . 1 1 41 41 THR HA H 58 4.341 4.341 4.108 0.233 18107
8756 1 20 . 1 1 41 41 THR CA C 58 67.542 67.542 66.424 1.118 18107
8757 1 20 . 1 1 41 41 THR CB C 58 69.157 69.157 68.789 0.368 18107
8758 1 20 . 1 1 41 41 THR H H 58 8.182 8.182 7.855 0.327 18107
8759 1 20 . 1 1 42 42 VAL N N 59 123.554 123.554 120.868 2.686 18107
8760 1 20 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.632 0.091 18107
8761 1 20 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.347 1.508 18107
8762 1 20 . 1 1 42 42 VAL H H 59 7.978 7.978 8.315 -0.337 18107
8763 1 20 . 1 1 43 43 SER N N 60 116.859 116.859 115.456 1.403 18107
8764 1 20 . 1 1 43 43 SER HA H 60 4.155 4.155 2.178 1.977 18107
8765 1 20 . 1 1 43 43 SER CA C 60 63.412 63.412 61.105 2.307 18107
8766 1 20 . 1 1 43 43 SER H H 60 7.715 7.715 7.677 0.038 18107
8767 1 20 . 1 1 44 44 GLU N N 61 124.072 124.072 120.914 3.158 18107
8768 1 20 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.866 -0.240 18107
8769 1 20 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.039 1.463 18107
8770 1 20 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.522 0.272 18107
8771 1 20 . 1 1 44 44 GLU H H 61 8.517 8.517 8.139 0.378 18107
8772 1 20 . 1 1 45 45 ALA N N 62 120.467 120.467 122.249 -1.782 18107
8773 1 20 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.252 -0.103 18107
8774 1 20 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.031 0.195 18107
8775 1 20 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.219 -0.374 18107
8776 1 20 . 1 1 45 45 ALA H H 62 7.853 7.853 7.595 0.258 18107
8777 1 20 . 1 1 46 46 PHE N N 63 119.936 119.936 116.595 3.341 18107
8778 1 20 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.329 -0.064 18107
8779 1 20 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.651 2.885 18107
8780 1 20 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.733 1.459 18107
8781 1 20 . 1 1 46 46 PHE H H 63 7.946 7.946 7.029 0.917 18107
8782 1 20 . 1 1 47 47 ILE N N 64 122.630 122.630 121.106 1.524 18107
8783 1 20 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.741 -0.121 18107
8784 1 20 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.026 2.332 18107
8785 1 20 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.242 1.139 18107
8786 1 20 . 1 1 47 47 ILE H H 64 8.595 8.595 8.351 0.244 18107
8787 1 20 . 1 1 48 48 GLU N N 65 120.257 120.257 119.420 0.837 18107
8788 1 20 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.004 0.585 18107
8789 1 20 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.278 0.078 18107
8790 1 20 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.887 0.714 18107
8791 1 20 . 1 1 48 48 GLU H H 65 9.078 9.078 8.542 0.536 18107
8792 1 20 . 1 1 49 49 GLY N N 66 108.368 108.368 108.473 -0.105 18107
8793 1 20 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.741 0.412 18107
8794 1 20 . 1 1 49 49 GLY H H 66 8.379 8.379 8.375 0.004 18107
8795 1 20 . 1 1 50 50 SER N N 67 119.358 119.358 118.031 1.327 18107
8796 1 20 . 1 1 50 50 SER HA H 67 3.988 3.988 4.081 -0.093 18107
8797 1 20 . 1 1 50 50 SER CA C 67 62.501 62.501 61.716 0.785 18107
8798 1 20 . 1 1 50 50 SER CB C 67 63.441 63.441 62.941 0.501 18107
8799 1 20 . 1 1 50 50 SER H H 67 7.694 7.694 8.219 -0.525 18107
8800 1 20 . 1 1 51 51 ARG N N 68 121.212 121.212 121.174 0.038 18107
8801 1 20 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.144 -0.236 18107
8802 1 20 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.641 1.400 18107
8803 1 20 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.219 0.538 18107
8804 1 20 . 1 1 51 51 ARG H H 68 8.684 8.684 7.834 0.850 18107
8805 1 20 . 1 1 52 52 GLY N N 69 124.556 124.556 106.373 18.183 18107
8806 1 20 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.803 0.459 18107
8807 1 20 . 1 1 52 52 GLY H H 69 8.068 8.068 8.248 -0.180 18107
8808 1 20 . 1 1 53 53 TYR N N 70 123.123 123.123 122.735 0.388 18107
8809 1 20 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.169 -0.100 18107
8810 1 20 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.342 -0.522 18107
8811 1 20 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.490 -0.743 18107
8812 1 20 . 1 1 53 53 TYR H H 70 7.337 7.337 7.737 -0.400 18107
8813 1 20 . 1 1 54 54 PHE N N 71 117.809 117.809 119.207 -1.398 18107
8814 1 20 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.114 -0.447 18107
8815 1 20 . 1 1 54 54 PHE CA C 71 60.489 60.489 59.841 0.648 18107
8816 1 20 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.956 0.793 18107
8817 1 20 . 1 1 54 54 PHE H H 71 7.965 7.965 7.356 0.609 18107
8818 1 20 . 1 1 55 55 GLN N N 72 115.519 115.519 118.337 -2.818 18107
8819 1 20 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.039 -0.181 18107
8820 1 20 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.964 0.644 18107
8821 1 20 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.761 0.235 18107
8822 1 20 . 1 1 55 55 GLN H H 72 8.522 8.522 7.935 0.587 18107
8823 1 20 . 1 1 56 56 ARG N N 73 118.947 118.947 117.694 1.253 18107
8824 1 20 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.124 -0.252 18107
8825 1 20 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.680 2.241 18107
8826 1 20 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.878 0.208 18107
8827 1 20 . 1 1 56 56 ARG H H 73 7.677 7.677 7.668 0.009 18107
8828 1 20 . 1 1 57 57 GLU N N 74 121.204 121.204 121.913 -0.709 18107
8829 1 20 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.960 -0.278 18107
8830 1 20 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.177 -0.243 18107
8831 1 20 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.988 0.705 18107
8832 1 20 . 1 1 57 57 GLU H H 74 7.897 7.897 8.219 -0.322 18107
8833 1 20 . 1 1 58 58 LEU N N 75 115.348 115.348 118.907 -3.559 18107
8834 1 20 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.182 -0.122 18107
8835 1 20 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.959 -1.065 18107
8836 1 20 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.200 0.130 18107
8837 1 20 . 1 1 58 58 LEU H H 75 7.746 7.746 7.796 -0.050 18107
8838 1 20 . 1 1 59 59 LYS N N 76 117.429 117.429 115.787 1.642 18107
8839 1 20 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.287 -0.087 18107
8840 1 20 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.714 -0.106 18107
8841 1 20 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.139 0.744 18107
8842 1 20 . 1 1 59 59 LYS H H 76 7.233 7.233 7.888 -0.655 18107
8843 1 20 . 1 1 60 60 ARG N N 77 120.555 120.555 119.577 0.978 18107
8844 1 20 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.059 0.067 18107
8845 1 20 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.614 -0.915 18107
8846 1 20 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.325 1.473 18107
8847 1 20 . 1 1 60 60 ARG H H 77 7.701 7.701 7.952 -0.251 18107
8848 1 20 . 1 1 61 61 THR N N 78 111.768 111.768 108.177 3.591 18107
8849 1 20 . 1 1 61 61 THR HA H 78 4.414 4.414 4.068 0.346 18107
8850 1 20 . 1 1 61 61 THR CA C 78 62.557 62.557 64.373 -1.816 18107
8851 1 20 . 1 1 61 61 THR CB C 78 69.221 69.221 67.786 1.435 18107
8852 1 20 . 1 1 61 61 THR H H 78 8.638 8.638 8.090 0.548 18107
8853 1 20 . 1 1 62 62 ASP N N 79 120.616 120.616 120.469 0.147 18107
8854 1 20 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.807 -0.175 18107
8855 1 20 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.092 -1.130 18107
8856 1 20 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.230 -0.985 18107
8857 1 20 . 1 1 62 62 ASP H H 79 8.465 8.465 8.550 -0.085 18107
8858 1 20 . 1 1 63 63 LEU N N 80 120.063 120.063 115.737 4.326 18107
8859 1 20 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.767 -0.522 18107
8860 1 20 . 1 1 63 63 LEU CA C 80 55.212 55.212 54.807 0.405 18107
8861 1 20 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.643 -1.848 18107
8862 1 20 . 1 1 63 63 LEU H H 80 7.157 7.157 7.427 -0.270 18107
8863 1 20 . 1 1 64 64 ASP N N 81 125.396 125.396 122.281 3.115 18107
8864 1 20 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.884 -0.315 18107
8865 1 20 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.679 1.298 18107
8866 1 20 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.589 -0.789 18107
8867 1 20 . 1 1 64 64 ASP H H 81 8.926 8.926 8.202 0.724 18107
8868 1 20 . 1 1 65 65 LEU N N 82 122.508 122.508 121.344 1.164 18107
8869 1 20 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.080 -0.242 18107
8870 1 20 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.739 1.082 18107
8871 1 20 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.888 0.307 18107
8872 1 20 . 1 1 65 65 LEU H H 82 8.281 8.281 8.235 0.046 18107
8873 1 20 . 1 1 66 66 LEU N N 83 119.413 119.413 120.915 -1.502 18107
8874 1 20 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.136 -0.064 18107
8875 1 20 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.138 -0.110 18107
8876 1 20 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.417 0.934 18107
8877 1 20 . 1 1 66 66 LEU H H 83 8.149 8.149 8.054 0.095 18107
8878 1 20 . 1 1 67 67 GLU N N 84 119.941 119.941 117.974 1.967 18107
8879 1 20 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.720 0.126 18107
8880 1 20 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.608 -1.085 18107
8881 1 20 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.203 1.010 18107
8882 1 20 . 1 1 67 67 GLU H H 84 7.725 7.725 8.475 -0.750 18107
8883 1 20 . 1 1 68 68 LYS N N 85 119.400 119.400 119.521 -0.121 18107
8884 1 20 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.865 -0.064 18107
8885 1 20 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.290 1.530 18107
8886 1 20 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.349 0.566 18107
8887 1 20 . 1 1 68 68 LYS H H 85 8.117 8.117 8.136 -0.019 18107
8888 1 20 . 1 1 69 69 PHE N N 86 117.969 117.969 119.837 -1.868 18107
8889 1 20 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.098 0.191 18107
8890 1 20 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.677 0.192 18107
8891 1 20 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.893 -0.138 18107
8892 1 20 . 1 1 69 69 PHE H H 86 7.975 7.975 8.146 -0.171 18107
8893 1 20 . 1 1 70 70 ASN N N 87 118.904 118.904 118.202 0.702 18107
8894 1 20 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.193 0.168 18107
8895 1 20 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.560 -0.292 18107
8896 1 20 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.622 -0.524 18107
8897 1 20 . 1 1 70 70 ASN H H 87 8.259 8.259 7.223 1.036 18107
8898 1 20 . 1 1 71 71 PHE N N 88 121.068 121.068 118.585 2.483 18107
8899 1 20 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.291 0.975 18107
8900 1 20 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.879 0.908 18107
8901 1 20 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.264 0.766 18107
8902 1 20 . 1 1 71 71 PHE H H 88 8.618 8.618 7.289 1.329 18107
8903 1 20 . 1 1 72 72 GLU N N 89 120.500 120.500 119.752 0.748 18107
8904 1 20 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.956 -0.103 18107
8905 1 20 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.042 1.455 18107
8906 1 20 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.187 0.324 18107
8907 1 20 . 1 1 72 72 GLU H H 89 8.709 8.709 8.696 0.013 18107
8908 1 20 . 1 1 73 73 ALA N N 90 123.117 123.117 122.016 1.101 18107
8909 1 20 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.913 0.125 18107
8910 1 20 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.637 0.364 18107
8911 1 20 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.779 0.169 18107
8912 1 20 . 1 1 73 73 ALA H H 90 8.158 8.158 7.747 0.411 18107
8913 1 20 . 1 1 74 74 ALA N N 91 122.919 122.919 121.119 1.800 18107
8914 1 20 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.144 -0.193 18107
8915 1 20 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.516 0.763 18107
8916 1 20 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.298 -0.632 18107
8917 1 20 . 1 1 74 74 ALA H H 91 7.841 7.841 8.035 -0.194 18107
8918 1 20 . 1 1 75 75 LEU N N 92 119.956 119.956 119.743 0.213 18107
8919 1 20 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.128 -0.081 18107
8920 1 20 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.208 0.251 18107
8921 1 20 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.813 0.346 18107
8922 1 20 . 1 1 75 75 LEU H H 92 8.091 8.091 8.362 -0.271 18107
8923 1 20 . 1 1 76 76 ALA N N 93 120.763 120.763 120.881 -0.118 18107
8924 1 20 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.132 -0.002 18107
8925 1 20 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.022 0.382 18107
8926 1 20 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.182 -0.312 18107
8927 1 20 . 1 1 76 76 ALA H H 93 7.774 7.774 7.836 -0.062 18107
8928 1 20 . 1 1 77 77 THR N N 94 117.510 117.510 116.027 1.483 18107
8929 1 20 . 1 1 77 77 THR HA H 94 4.234 4.234 4.042 0.192 18107
8930 1 20 . 1 1 77 77 THR CA C 94 67.364 67.364 67.806 -0.442 18107
8931 1 20 . 1 1 77 77 THR CB C 94 68.779 68.779 68.805 -0.026 18107
8932 1 20 . 1 1 77 77 THR H H 94 8.188 8.188 7.783 0.405 18107
8933 1 20 . 1 1 78 78 GLY N N 95 110.009 110.009 109.605 0.404 18107
8934 1 20 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.595 1.555 18107
8935 1 20 . 1 1 78 78 GLY H H 95 8.547 8.547 8.805 -0.258 18107
8936 1 20 . 1 1 79 79 ASP N N 96 121.634 121.634 122.875 -1.241 18107
8937 1 20 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.421 -0.153 18107
8938 1 20 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.215 0.721 18107
8939 1 20 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.552 0.088 18107
8940 1 20 . 1 1 79 79 ASP H H 96 8.548 8.548 8.107 0.441 18107
8941 1 20 . 1 1 80 80 LEU N N 97 122.599 122.599 119.528 3.071 18107
8942 1 20 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.064 -0.056 18107
8943 1 20 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.727 0.715 18107
8944 1 20 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.216 -0.287 18107
8945 1 20 . 1 1 80 80 LEU H H 97 7.618 7.618 7.635 -0.017 18107
8946 1 20 . 1 1 81 81 LEU N N 98 119.913 119.913 118.085 1.828 18107
8947 1 20 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.070 -0.039 18107
8948 1 20 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.093 -0.285 18107
8949 1 20 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.200 1.161 18107
8950 1 20 . 1 1 81 81 LEU H H 98 8.224 8.224 7.852 0.372 18107
8951 1 20 . 1 1 82 82 LEU N N 99 118.616 118.616 120.782 -2.166 18107
8952 1 20 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.854 0.121 18107
8953 1 20 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.938 0.131 18107
8954 1 20 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.612 0.553 18107
8955 1 20 . 1 1 82 82 LEU H H 99 8.359 8.359 8.571 -0.212 18107
8956 1 20 . 1 1 83 83 LYS N N 100 118.988 118.988 118.964 0.024 18107
8957 1 20 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.974 -0.090 18107
8958 1 20 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.811 0.456 18107
8959 1 20 . 1 1 83 83 LYS CB C 100 32.171 32.171 31.915 0.256 18107
8960 1 20 . 1 1 83 83 LYS H H 100 7.566 7.566 7.765 -0.199 18107
8961 1 20 . 1 1 84 84 ASP N N 101 121.591 121.591 120.762 0.829 18107
8962 1 20 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.485 -0.088 18107
8963 1 20 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.641 1.055 18107
8964 1 20 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.770 -0.365 18107
8965 1 20 . 1 1 84 84 ASP H H 101 7.743 7.743 7.908 -0.165 18107
8966 1 20 . 1 1 85 85 LEU N N 102 123.215 123.215 120.279 2.936 18107
8967 1 20 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.865 -0.015 18107
8968 1 20 . 1 1 85 85 LEU CA C 102 59.841 59.841 57.936 1.905 18107
8969 1 20 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.744 0.828 18107
8970 1 20 . 1 1 85 85 LEU H H 102 8.760 8.760 8.353 0.407 18107
8971 1 20 . 1 1 86 86 LYS N N 103 119.648 119.648 119.714 -0.066 18107
8972 1 20 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.256 -0.188 18107
8973 1 20 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.031 -0.239 18107
8974 1 20 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.283 -1.151 18107
8975 1 20 . 1 1 86 86 LYS H H 103 8.883 8.883 7.746 1.137 18107
8976 1 20 . 1 1 87 87 ALA N N 104 122.844 122.844 121.498 1.346 18107
8977 1 20 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.130 0.030 18107
8978 1 20 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.825 0.475 18107
8979 1 20 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.120 -0.100 18107
8980 1 20 . 1 1 87 87 ALA H H 104 7.721 7.721 7.631 0.090 18107
8981 1 20 . 1 1 88 88 LEU N N 105 120.380 120.380 118.685 1.695 18107
8982 1 20 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.000 -0.008 18107
8983 1 20 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.176 0.010 18107
8984 1 20 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.111 1.692 18107
8985 1 20 . 1 1 88 88 LEU H H 105 7.762 7.762 7.987 -0.225 18107
8986 1 20 . 1 1 89 89 GLN N N 106 118.781 118.781 119.255 -0.474 18107
8987 1 20 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.897 -0.312 18107
8988 1 20 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.328 0.650 18107
8989 1 20 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.481 1.146 18107
8990 1 20 . 1 1 89 89 GLN H H 106 8.658 8.658 7.946 0.712 18107
8991 1 20 . 1 1 90 90 LYS N N 107 118.977 118.977 119.513 -0.536 18107
8992 1 20 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.090 -0.142 18107
8993 1 20 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.388 1.107 18107
8994 1 20 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.756 0.667 18107
8995 1 20 . 1 1 90 90 LYS H H 107 7.786 7.786 7.732 0.054 18107
8996 1 20 . 1 1 91 91 ARG N N 108 117.470 117.470 120.324 -2.854 18107
8997 1 20 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.116 -0.113 18107
8998 1 20 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.550 0.032 18107
8999 1 20 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.387 1.241 18107
9000 1 20 . 1 1 91 91 ARG H H 108 7.469 7.469 7.663 -0.194 18107
9001 1 20 . 1 1 92 92 VAL N N 109 117.865 117.865 120.475 -2.610 18107
9002 1 20 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.602 -0.120 18107
9003 1 20 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.787 -0.176 18107
9004 1 20 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.772 0.439 18107
9005 1 20 . 1 1 92 92 VAL H H 109 8.084 8.084 8.569 -0.485 18107
9006 1 20 . 1 1 93 93 GLN N N 110 119.617 119.617 117.941 1.676 18107
9007 1 20 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.019 -0.143 18107
9008 1 20 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.791 0.444 18107
9009 1 20 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.164 0.860 18107
9010 1 20 . 1 1 93 93 GLN H H 110 8.512 8.512 8.433 0.079 18107
9011 1 20 . 1 1 94 94 ASP N N 111 117.490 117.490 119.474 -1.984 18107
9012 1 20 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.481 0.010 18107
9013 1 20 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.340 -1.059 18107
9014 1 20 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.754 0.081 18107
9015 1 20 . 1 1 94 94 ASP H H 111 8.194 8.194 8.174 0.020 18107
9016 1 20 . 1 1 95 95 SER N N 112 116.625 116.625 114.642 1.983 18107
9017 1 20 . 1 1 95 95 SER HA H 112 4.288 4.288 4.297 -0.009 18107
9018 1 20 . 1 1 95 95 SER CA C 112 59.770 59.770 60.741 -0.971 18107
9019 1 20 . 1 1 95 95 SER CB C 112 63.990 63.990 63.680 0.310 18107
9020 1 20 . 1 1 95 95 SER H H 112 7.479 7.479 7.823 -0.344 18107
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 92 2.914 -0.876 2.795 18107
2 1 1 "Average Difference" HA 97 0.362 -0.027 0.363 18107
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18107
4 1 1 "Average Difference" CA 92 1.081 -0.273 1.051 18107
5 1 1 "Average Difference" CB 86 0.804 -0.358 0.724 18107
6 1 1 "Average Difference" HN 92 0.479 -0.085 0.474 18107
7 1 2 "Average Difference" N 92 2.932 -0.990 2.775 18107
8 1 2 "Average Difference" HA 97 0.369 0.007 0.370 18107
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18107
10 1 2 "Average Difference" CA 92 1.076 -0.374 1.015 18107
11 1 2 "Average Difference" CB 86 0.836 -0.383 0.747 18107
12 1 2 "Average Difference" HN 92 0.457 -0.053 0.457 18107
13 1 3 "Average Difference" N 92 3.077 -1.001 2.926 18107
14 1 3 "Average Difference" HA 97 0.439 -0.023 0.441 18107
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18107
16 1 3 "Average Difference" CA 92 1.100 -0.299 1.065 18107
17 1 3 "Average Difference" CB 86 0.800 -0.301 0.745 18107
18 1 3 "Average Difference" HN 92 0.485 -0.061 0.484 18107
19 1 4 "Average Difference" N 92 2.929 -0.970 2.779 18107
20 1 4 "Average Difference" HA 97 0.351 -0.006 0.352 18107
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18107
22 1 4 "Average Difference" CA 92 1.036 -0.370 0.973 18107
23 1 4 "Average Difference" CB 86 0.822 -0.332 0.756 18107
24 1 4 "Average Difference" HN 92 0.472 -0.070 0.470 18107
25 1 5 "Average Difference" N 92 2.990 -0.899 2.868 18107
26 1 5 "Average Difference" HA 97 0.360 0.023 0.361 18107
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18107
28 1 5 "Average Difference" CA 92 1.065 -0.281 1.033 18107
29 1 5 "Average Difference" CB 86 0.772 -0.273 0.726 18107
30 1 5 "Average Difference" HN 92 0.434 -0.061 0.432 18107
31 1 6 "Average Difference" N 92 2.916 -0.966 2.766 18107
32 1 6 "Average Difference" HA 97 0.353 0.007 0.355 18107
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18107
34 1 6 "Average Difference" CA 92 1.021 -0.335 0.970 18107
35 1 6 "Average Difference" CB 86 0.893 -0.317 0.839 18107
36 1 6 "Average Difference" HN 92 0.472 -0.053 0.471 18107
37 1 7 "Average Difference" N 92 2.981 -0.976 2.832 18107
38 1 7 "Average Difference" HA 97 0.425 -0.016 0.427 18107
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18107
40 1 7 "Average Difference" CA 92 1.020 -0.358 0.960 18107
41 1 7 "Average Difference" CB 86 0.814 -0.321 0.752 18107
42 1 7 "Average Difference" HN 92 0.445 -0.076 0.441 18107
43 1 8 "Average Difference" N 92 2.964 -1.018 2.799 18107
44 1 8 "Average Difference" HA 97 0.377 -0.004 0.379 18107
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18107
46 1 8 "Average Difference" CA 92 0.940 -0.325 0.887 18107
47 1 8 "Average Difference" CB 86 0.819 -0.321 0.758 18107
48 1 8 "Average Difference" HN 92 0.456 -0.071 0.452 18107
49 1 9 "Average Difference" N 92 2.932 -1.013 2.767 18107
50 1 9 "Average Difference" HA 97 0.338 -0.015 0.339 18107
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18107
52 1 9 "Average Difference" CA 92 1.059 -0.333 1.011 18107
53 1 9 "Average Difference" CB 86 0.791 -0.284 0.742 18107
54 1 9 "Average Difference" HN 92 0.458 -0.088 0.452 18107
55 1 10 "Average Difference" N 92 2.946 -0.967 2.798 18107
56 1 10 "Average Difference" HA 97 0.357 -0.005 0.359 18107
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18107
58 1 10 "Average Difference" CA 92 1.076 -0.303 1.038 18107
59 1 10 "Average Difference" CB 86 0.785 -0.314 0.724 18107
60 1 10 "Average Difference" HN 92 0.447 -0.053 0.446 18107
61 1 11 "Average Difference" N 92 2.928 -1.013 2.762 18107
62 1 11 "Average Difference" HA 97 0.422 -0.022 0.423 18107
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18107
64 1 11 "Average Difference" CA 92 1.023 -0.308 0.981 18107
65 1 11 "Average Difference" CB 86 0.836 -0.325 0.775 18107
66 1 11 "Average Difference" HN 92 0.438 -0.048 0.437 18107
67 1 12 "Average Difference" N 92 2.942 -0.944 2.802 18107
68 1 12 "Average Difference" HA 97 0.357 0.010 0.359 18107
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18107
70 1 12 "Average Difference" CA 92 1.072 -0.315 1.030 18107
71 1 12 "Average Difference" CB 86 0.834 -0.306 0.780 18107
72 1 12 "Average Difference" HN 92 0.432 -0.045 0.432 18107
73 1 13 "Average Difference" N 92 2.929 -1.006 2.765 18107
74 1 13 "Average Difference" HA 97 0.360 -0.015 0.362 18107
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18107
76 1 13 "Average Difference" CA 92 1.047 -0.375 0.983 18107
77 1 13 "Average Difference" CB 86 0.786 -0.313 0.725 18107
78 1 13 "Average Difference" HN 92 0.458 -0.068 0.455 18107
79 1 14 "Average Difference" N 92 2.955 -0.930 2.821 18107
80 1 14 "Average Difference" HA 97 0.414 -0.044 0.414 18107
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18107
82 1 14 "Average Difference" CA 92 1.024 -0.315 0.979 18107
83 1 14 "Average Difference" CB 86 0.848 -0.442 0.728 18107
84 1 14 "Average Difference" HN 92 0.489 -0.079 0.485 18107
85 1 15 "Average Difference" N 92 2.943 -0.889 2.821 18107
86 1 15 "Average Difference" HA 97 0.381 -0.008 0.383 18107
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18107
88 1 15 "Average Difference" CA 92 0.987 -0.299 0.946 18107
89 1 15 "Average Difference" CB 86 0.740 -0.313 0.675 18107
90 1 15 "Average Difference" HN 92 0.489 -0.074 0.486 18107
91 1 16 "Average Difference" N 92 3.070 -1.071 2.893 18107
92 1 16 "Average Difference" HA 97 0.381 -0.005 0.383 18107
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18107
94 1 16 "Average Difference" CA 92 1.032 -0.337 0.981 18107
95 1 16 "Average Difference" CB 86 0.902 -0.318 0.849 18107
96 1 16 "Average Difference" HN 92 0.462 -0.065 0.460 18107
97 1 17 "Average Difference" N 92 2.921 -1.040 2.744 18107
98 1 17 "Average Difference" HA 97 0.375 0.002 0.377 18107
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18107
100 1 17 "Average Difference" CA 92 1.059 -0.315 1.016 18107
101 1 17 "Average Difference" CB 86 0.900 -0.310 0.850 18107
102 1 17 "Average Difference" HN 92 0.467 -0.049 0.467 18107
103 1 18 "Average Difference" N 92 2.903 -0.948 2.759 18107
104 1 18 "Average Difference" HA 97 0.362 -0.008 0.364 18107
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18107
106 1 18 "Average Difference" CA 92 1.017 -0.334 0.966 18107
107 1 18 "Average Difference" CB 86 0.786 -0.358 0.704 18107
108 1 18 "Average Difference" HN 92 0.460 -0.094 0.452 18107
109 1 19 "Average Difference" N 92 2.978 -1.003 2.819 18107
110 1 19 "Average Difference" HA 97 0.373 -0.020 0.375 18107
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18107
112 1 19 "Average Difference" CA 92 1.074 -0.434 0.988 18107
113 1 19 "Average Difference" CB 86 0.765 -0.335 0.691 18107
114 1 19 "Average Difference" HN 92 0.470 -0.071 0.467 18107
115 1 20 "Average Difference" N 92 2.970 -0.883 2.851 18107
116 1 20 "Average Difference" HA 97 0.340 0.003 0.342 18107
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18107
118 1 20 "Average Difference" CA 92 1.027 -0.375 0.961 18107
119 1 20 "Average Difference" CB 86 0.738 -0.302 0.677 18107
120 1 20 "Average Difference" HN 92 0.460 -0.066 0.458 18107
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 18107
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 THR HA H 19 4.222 4.222 4.123 0.100 18107
2 1 . 1 1 2 2 THR CA C 19 63.013 63.013 65.315 -2.302 18107
3 1 . 1 1 2 2 THR CB C 19 69.504 69.504 68.798 0.706 18107
4 1 . 1 1 3 3 ALA N N 20 125.065 125.065 123.823 1.242 18107
5 1 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.962 0.188 18107
6 1 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.982 -0.026 18107
7 1 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.042 0.955 18107
8 1 . 1 1 3 3 ALA H H 20 8.404 8.404 8.352 0.052 18107
9 1 . 1 1 4 4 THR N N 21 109.840 109.840 111.618 -1.778 18107
10 1 . 1 1 4 4 THR HA H 21 4.235 4.235 3.954 0.281 18107
11 1 . 1 1 4 4 THR CA C 21 64.668 64.668 64.954 -0.286 18107
12 1 . 1 1 4 4 THR CB C 21 68.923 68.923 67.764 1.159 18107
13 1 . 1 1 4 4 THR H H 21 7.910 7.910 8.105 -0.195 18107
14 1 . 1 1 5 5 GLN N N 22 122.037 122.037 120.016 2.021 18107
15 1 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.035 0.016 18107
16 1 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.659 -0.495 18107
17 1 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.595 -0.039 18107
18 1 . 1 1 5 5 GLN H H 22 7.953 7.953 7.691 0.262 18107
19 1 . 1 1 6 6 ARG N N 23 118.944 118.944 119.355 -0.411 18107
20 1 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.107 -0.001 18107
21 1 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.466 -0.374 18107
22 1 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.369 -0.222 18107
23 1 . 1 1 6 6 ARG H H 23 7.922 7.922 7.476 0.446 18107
24 1 . 1 1 7 7 PHE N N 24 116.543 116.543 115.037 1.506 18107
25 1 . 1 1 7 7 PHE H H 24 8.276 8.276 7.638 0.638 18107
26 1 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.641 -0.146 18107
27 1 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.358 1.662 18107
28 1 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.105 -1.053 18107
29 1 . 1 1 9 9 GLU N N 26 118.298 118.298 119.628 -1.330 18107
30 1 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.083 -0.093 18107
31 1 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.901 -0.523 18107
32 1 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.292 0.020 18107
33 1 . 1 1 9 9 GLU H H 26 8.148 8.148 8.549 -0.401 18107
34 1 . 1 1 10 10 ILE N N 27 121.761 121.761 117.442 4.319 18107
35 1 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.745 0.219 18107
36 1 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.424 -0.961 18107
37 1 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.216 0.035 18107
38 1 . 1 1 10 10 ILE H H 27 8.165 8.165 8.159 0.006 18107
39 1 . 1 1 11 11 GLU N N 28 122.042 122.042 121.006 1.036 18107
40 1 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.996 -0.159 18107
41 1 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.059 0.569 18107
42 1 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.368 0.638 18107
43 1 . 1 1 11 11 GLU H H 28 8.541 8.541 8.105 0.436 18107
44 1 . 1 1 12 12 LYS N N 29 117.967 117.967 119.033 -1.066 18107
45 1 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.046 -0.104 18107
46 1 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.404 0.337 18107
47 1 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.210 0.242 18107
48 1 . 1 1 12 12 LYS H H 29 7.517 7.517 7.958 -0.441 18107
49 1 . 1 1 13 13 PHE N N 30 122.144 122.144 120.193 1.951 18107
50 1 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.303 0.126 18107
51 1 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.269 -0.482 18107
52 1 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.739 0.472 18107
53 1 . 1 1 13 13 PHE H H 30 8.066 8.066 8.010 0.056 18107
54 1 . 1 1 14 14 LEU N N 31 119.404 119.404 119.516 -0.112 18107
55 1 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.963 -0.229 18107
56 1 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.606 -0.842 18107
57 1 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.519 -0.083 18107
58 1 . 1 1 14 14 LEU H H 31 8.739 8.739 8.311 0.428 18107
59 1 . 1 1 15 15 LEU N N 32 121.073 121.073 117.884 3.189 18107
60 1 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.088 -0.128 18107
61 1 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.082 0.250 18107
62 1 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.063 0.899 18107
63 1 . 1 1 15 15 LEU H H 32 7.736 7.736 7.650 0.086 18107
64 1 . 1 1 16 16 HIS N N 33 118.629 118.629 119.076 -0.447 18107
65 1 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.341 0.005 18107
66 1 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.212 0.433 18107
67 1 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.195 0.106 18107
68 1 . 1 1 16 16 HIS H H 33 7.681 7.681 8.140 -0.459 18107
69 1 . 1 1 17 17 ILE N N 34 118.602 118.602 120.127 -1.525 18107
70 1 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.748 0.057 18107
71 1 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.888 -1.381 18107
72 1 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.065 -0.620 18107
73 1 . 1 1 17 17 ILE H H 34 8.502 8.502 8.699 -0.197 18107
74 1 . 1 1 18 18 THR N N 35 117.776 117.776 116.178 1.598 18107
75 1 . 1 1 18 18 THR HA H 35 4.116 4.116 3.925 0.191 18107
76 1 . 1 1 18 18 THR CA C 35 68.694 68.694 67.276 1.418 18107
77 1 . 1 1 18 18 THR CB C 35 68.694 68.694 68.446 0.248 18107
78 1 . 1 1 18 18 THR H H 35 7.726 7.726 7.823 -0.097 18107
79 1 . 1 1 19 19 HIS N N 36 118.130 118.130 120.479 -2.349 18107
80 1 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.240 0.161 18107
81 1 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.077 -0.291 18107
82 1 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.739 -0.669 18107
83 1 . 1 1 19 19 HIS H H 36 7.177 7.177 7.887 -0.710 18107
84 1 . 1 1 20 20 GLU N N 37 119.301 119.301 118.687 0.614 18107
85 1 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.054 -0.004 18107
86 1 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.335 0.222 18107
87 1 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.494 0.562 18107
88 1 . 1 1 20 20 GLU H H 37 7.335 7.335 7.921 -0.586 18107
89 1 . 1 1 21 21 VAL N N 38 122.744 122.744 119.694 3.050 18107
90 1 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.637 -0.215 18107
91 1 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.545 0.504 18107
92 1 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.476 -0.103 18107
93 1 . 1 1 21 21 VAL H H 38 8.385 8.385 7.711 0.674 18107
94 1 . 1 1 22 22 ASP N N 39 120.471 120.471 120.211 0.260 18107
95 1 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.398 -0.251 18107
96 1 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.596 0.130 18107
97 1 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.505 -0.118 18107
98 1 . 1 1 22 22 ASP H H 39 8.054 8.054 7.783 0.271 18107
99 1 . 1 1 23 23 ASP N N 40 118.541 118.541 120.146 -1.605 18107
100 1 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.392 0.028 18107
101 1 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.489 -0.002 18107
102 1 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.105 0.069 18107
103 1 . 1 1 23 23 ASP H H 40 7.587 7.587 7.832 -0.245 18107
104 1 . 1 1 24 24 LEU N N 41 123.241 123.241 117.022 6.219 18107
105 1 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.215 -0.047 18107
106 1 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.061 -0.353 18107
107 1 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.174 0.735 18107
108 1 . 1 1 24 24 LEU H H 41 8.032 8.032 8.241 -0.209 18107
109 1 . 1 1 25 25 GLU N N 42 117.508 117.508 119.578 -2.070 18107
110 1 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.062 -0.142 18107
111 1 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.189 -0.107 18107
112 1 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.683 0.180 18107
113 1 . 1 1 25 25 GLU H H 42 8.010 8.010 8.325 -0.315 18107
114 1 . 1 1 26 26 LYS N N 43 117.032 117.032 115.682 1.350 18107
115 1 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.328 -0.085 18107
116 1 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.607 0.644 18107
117 1 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.454 1.052 18107
118 1 . 1 1 26 26 LYS H H 43 7.596 7.596 7.701 -0.105 18107
119 1 . 1 1 27 27 THR N N 44 110.288 110.288 112.351 -2.063 18107
120 1 . 1 1 27 27 THR HA H 44 4.271 4.271 4.415 -0.144 18107
121 1 . 1 1 27 27 THR CA C 44 62.820 62.820 63.466 -0.646 18107
122 1 . 1 1 27 27 THR CB C 44 70.733 70.733 70.325 0.408 18107
123 1 . 1 1 27 27 THR H H 44 8.227 8.227 7.505 0.722 18107
124 1 . 1 1 28 28 GLY N N 45 112.257 112.257 107.872 4.385 18107
125 1 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.939 0.722 18107
126 1 . 1 1 28 28 GLY H H 45 8.727 8.727 8.197 0.530 18107
127 1 . 1 1 29 29 ASN N N 46 118.416 118.416 117.976 0.440 18107
128 1 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.342 0.127 18107
129 1 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.706 0.591 18107
130 1 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.770 2.340 18107
131 1 . 1 1 29 29 ASN H H 46 7.716 7.716 8.352 -0.636 18107
132 1 . 1 1 30 30 LYS N N 47 126.481 126.481 118.624 7.857 18107
133 1 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.114 -0.126 18107
134 1 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.477 0.714 18107
135 1 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.497 0.016 18107
136 1 . 1 1 30 30 LYS H H 47 8.770 8.770 8.421 0.349 18107
137 1 . 1 1 31 31 ASP N N 48 121.710 121.710 114.788 6.922 18107
138 1 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.795 -0.328 18107
139 1 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.311 3.324 18107
140 1 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.459 -1.014 18107
141 1 . 1 1 31 31 ASP H H 48 8.229 8.229 8.107 0.122 18107
142 1 . 1 1 32 32 GLU N N 49 121.695 121.695 121.363 0.332 18107
143 1 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.104 0.253 18107
144 1 . 1 1 32 32 GLU H H 49 8.048 8.048 8.646 -0.598 18107
145 1 . 1 1 33 33 LYS N N 50 120.099 120.099 119.728 0.371 18107
146 1 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.946 -0.295 18107
147 1 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.278 0.559 18107
148 1 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.930 1.037 18107
149 1 . 1 1 33 33 LYS H H 50 7.975 7.975 8.305 -0.330 18107
150 1 . 1 1 34 34 ALA N N 51 118.238 118.238 120.119 -1.881 18107
151 1 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.036 -0.047 18107
152 1 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.056 0.337 18107
153 1 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.289 -0.077 18107
154 1 . 1 1 34 34 ALA H H 51 7.614 7.614 8.353 -0.739 18107
155 1 . 1 1 35 35 ARG N N 52 120.311 120.311 119.396 0.915 18107
156 1 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.104 1.787 18107
157 1 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.110 0.940 18107
158 1 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.389 0.022 18107
159 1 . 1 1 35 35 ARG H H 52 7.883 7.883 7.782 0.101 18107
160 1 . 1 1 36 36 LEU N N 53 119.541 119.541 119.521 0.020 18107
161 1 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.176 -0.230 18107
162 1 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.175 0.314 18107
163 1 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.356 1.086 18107
164 1 . 1 1 36 36 LEU H H 53 8.553 8.553 8.546 0.007 18107
165 1 . 1 1 37 37 LEU N N 54 117.789 117.789 120.285 -2.496 18107
166 1 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.868 0.197 18107
167 1 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.073 0.568 18107
168 1 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.394 -0.075 18107
169 1 . 1 1 37 37 LEU H H 54 8.341 8.341 8.267 0.074 18107
170 1 . 1 1 38 38 ARG N N 55 121.176 121.176 118.467 2.709 18107
171 1 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.059 0.009 18107
172 1 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.740 1.585 18107
173 1 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.711 0.359 18107
174 1 . 1 1 38 38 ARG H H 55 7.864 7.864 7.840 0.024 18107
175 1 . 1 1 39 39 GLU N N 56 119.256 119.256 120.685 -1.429 18107
176 1 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.123 -0.063 18107
177 1 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.726 0.168 18107
178 1 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.489 0.412 18107
179 1 . 1 1 39 39 GLU H H 56 8.390 8.390 7.733 0.657 18107
180 1 . 1 1 40 40 LEU N N 57 120.312 120.312 117.378 2.934 18107
181 1 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.296 -0.168 18107
182 1 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.125 0.496 18107
183 1 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.335 0.894 18107
184 1 . 1 1 40 40 LEU H H 57 8.802 8.802 8.111 0.691 18107
185 1 . 1 1 41 41 THR N N 58 117.791 117.791 117.457 0.334 18107
186 1 . 1 1 41 41 THR HA H 58 4.341 4.341 3.973 0.368 18107
187 1 . 1 1 41 41 THR CA C 58 67.542 67.542 66.948 0.594 18107
188 1 . 1 1 41 41 THR CB C 58 69.157 69.157 68.571 0.586 18107
189 1 . 1 1 41 41 THR H H 58 8.182 8.182 7.917 0.265 18107
190 1 . 1 1 42 42 VAL N N 59 123.554 123.554 120.966 2.588 18107
191 1 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.561 0.162 18107
192 1 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.257 0.598 18107
193 1 . 1 1 42 42 VAL H H 59 7.978 7.978 8.337 -0.359 18107
194 1 . 1 1 43 43 SER N N 60 116.859 116.859 114.772 2.087 18107
195 1 . 1 1 43 43 SER HA H 60 4.155 4.155 1.784 2.371 18107
196 1 . 1 1 43 43 SER CA C 60 63.412 63.412 61.017 2.395 18107
197 1 . 1 1 43 43 SER H H 60 7.715 7.715 7.612 0.103 18107
198 1 . 1 1 44 44 GLU N N 61 124.072 124.072 120.888 3.184 18107
199 1 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.803 -0.177 18107
200 1 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.056 1.446 18107
201 1 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.440 0.354 18107
202 1 . 1 1 44 44 GLU H H 61 8.517 8.517 8.171 0.346 18107
203 1 . 1 1 45 45 ALA N N 62 120.467 120.467 122.062 -1.595 18107
204 1 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.102 0.047 18107
205 1 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.928 0.298 18107
206 1 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.282 -0.437 18107
207 1 . 1 1 45 45 ALA H H 62 7.853 7.853 7.562 0.291 18107
208 1 . 1 1 46 46 PHE N N 63 119.936 119.936 117.008 2.928 18107
209 1 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.246 0.019 18107
210 1 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.665 2.871 18107
211 1 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.554 1.638 18107
212 1 . 1 1 46 46 PHE H H 63 7.946 7.946 7.070 0.877 18107
213 1 . 1 1 47 47 ILE N N 64 122.630 122.630 120.505 2.125 18107
214 1 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.575 0.045 18107
215 1 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.205 2.153 18107
216 1 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.934 1.447 18107
217 1 . 1 1 47 47 ILE H H 64 8.595 8.595 8.056 0.539 18107
218 1 . 1 1 48 48 GLU N N 65 120.257 120.257 119.424 0.833 18107
219 1 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.999 0.590 18107
220 1 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.722 -0.366 18107
221 1 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.293 0.308 18107
222 1 . 1 1 48 48 GLU H H 65 9.078 9.078 8.106 0.972 18107
223 1 . 1 1 49 49 GLY N N 66 108.368 108.368 107.423 0.945 18107
224 1 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.708 0.445 18107
225 1 . 1 1 49 49 GLY H H 66 8.379 8.379 8.302 0.077 18107
226 1 . 1 1 50 50 SER N N 67 119.358 119.358 117.837 1.521 18107
227 1 . 1 1 50 50 SER HA H 67 3.988 3.988 4.058 -0.070 18107
228 1 . 1 1 50 50 SER CA C 67 62.501 62.501 61.422 1.079 18107
229 1 . 1 1 50 50 SER CB C 67 63.441 63.441 63.087 0.354 18107
230 1 . 1 1 50 50 SER H H 67 7.694 7.694 8.159 -0.465 18107
231 1 . 1 1 51 51 ARG N N 68 121.212 121.212 120.544 0.668 18107
232 1 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.123 -0.215 18107
233 1 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.311 1.730 18107
234 1 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.932 0.825 18107
235 1 . 1 1 51 51 ARG H H 68 8.684 8.684 8.022 0.662 18107
236 1 . 1 1 52 52 GLY N N 69 124.556 124.556 106.737 17.819 18107
237 1 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.715 0.548 18107
238 1 . 1 1 52 52 GLY H H 69 8.068 8.068 8.145 -0.077 18107
239 1 . 1 1 53 53 TYR N N 70 123.123 123.123 123.278 -0.155 18107
240 1 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.131 -0.062 18107
241 1 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.381 -0.561 18107
242 1 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.483 -0.736 18107
243 1 . 1 1 53 53 TYR H H 70 7.337 7.337 7.606 -0.269 18107
244 1 . 1 1 54 54 PHE N N 71 117.809 117.809 118.139 -0.330 18107
245 1 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.984 -0.317 18107
246 1 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.334 0.155 18107
247 1 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.856 0.893 18107
248 1 . 1 1 54 54 PHE H H 71 7.965 7.965 7.476 0.489 18107
249 1 . 1 1 55 55 GLN N N 72 115.519 115.519 118.205 -2.686 18107
250 1 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.032 -0.174 18107
251 1 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.998 0.609 18107
252 1 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.513 0.483 18107
253 1 . 1 1 55 55 GLN H H 72 8.522 8.522 7.925 0.597 18107
254 1 . 1 1 56 56 ARG N N 73 118.947 118.947 118.324 0.623 18107
255 1 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.076 -0.204 18107
256 1 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.420 1.501 18107
257 1 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.808 0.278 18107
258 1 . 1 1 56 56 ARG H H 73 7.677 7.677 7.624 0.053 18107
259 1 . 1 1 57 57 GLU N N 74 121.204 121.204 121.244 -0.040 18107
260 1 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.947 -0.265 18107
261 1 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.106 -0.172 18107
262 1 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.944 0.748 18107
263 1 . 1 1 57 57 GLU H H 74 7.897 7.897 8.175 -0.278 18107
264 1 . 1 1 58 58 LEU N N 75 115.348 115.348 119.059 -3.711 18107
265 1 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.164 -0.104 18107
266 1 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.661 -0.766 18107
267 1 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.074 0.256 18107
268 1 . 1 1 58 58 LEU H H 75 7.746 7.746 7.739 0.007 18107
269 1 . 1 1 59 59 LYS N N 76 117.429 117.429 116.646 0.783 18107
270 1 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.288 -0.088 18107
271 1 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.565 0.043 18107
272 1 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.269 0.614 18107
273 1 . 1 1 59 59 LYS H H 76 7.233 7.233 7.861 -0.628 18107
274 1 . 1 1 60 60 ARG N N 77 120.555 120.555 120.157 0.398 18107
275 1 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.076 0.050 18107
276 1 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.674 -0.975 18107
277 1 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.405 1.393 18107
278 1 . 1 1 60 60 ARG H H 77 7.701 7.701 8.014 -0.313 18107
279 1 . 1 1 61 61 THR N N 78 111.768 111.768 107.735 4.033 18107
280 1 . 1 1 61 61 THR HA H 78 4.414 4.414 4.068 0.346 18107
281 1 . 1 1 61 61 THR CA C 78 62.557 62.557 64.368 -1.811 18107
282 1 . 1 1 61 61 THR CB C 78 69.221 69.221 67.759 1.462 18107
283 1 . 1 1 61 61 THR H H 78 8.638 8.638 8.151 0.487 18107
284 1 . 1 1 62 62 ASP N N 79 120.616 120.616 120.216 0.400 18107
285 1 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.823 -0.191 18107
286 1 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.406 -1.444 18107
287 1 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.439 -1.193 18107
288 1 . 1 1 62 62 ASP H H 79 8.465 8.465 8.472 -0.007 18107
289 1 . 1 1 63 63 LEU N N 80 120.063 120.063 117.115 2.948 18107
290 1 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.872 -0.627 18107
291 1 . 1 1 63 63 LEU CA C 80 55.212 55.212 54.059 1.153 18107
292 1 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.408 -1.613 18107
293 1 . 1 1 63 63 LEU H H 80 7.157 7.157 7.543 -0.386 18107
294 1 . 1 1 64 64 ASP N N 81 125.396 125.396 122.008 3.388 18107
295 1 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.943 -0.374 18107
296 1 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.014 0.963 18107
297 1 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.531 -0.731 18107
298 1 . 1 1 64 64 ASP H H 81 8.926 8.926 8.206 0.720 18107
299 1 . 1 1 65 65 LEU N N 82 122.508 122.508 120.567 1.941 18107
300 1 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.179 -0.341 18107
301 1 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.866 0.955 18107
302 1 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.844 0.351 18107
303 1 . 1 1 65 65 LEU H H 82 8.281 8.281 8.287 -0.006 18107
304 1 . 1 1 66 66 LEU N N 83 119.413 119.413 120.353 -0.940 18107
305 1 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.068 0.004 18107
306 1 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.267 -0.239 18107
307 1 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.457 0.894 18107
308 1 . 1 1 66 66 LEU H H 83 8.149 8.149 8.023 0.126 18107
309 1 . 1 1 67 67 GLU N N 84 119.941 119.941 118.210 1.731 18107
310 1 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.732 0.114 18107
311 1 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.352 -0.829 18107
312 1 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.110 1.102 18107
313 1 . 1 1 67 67 GLU H H 84 7.725 7.725 8.442 -0.717 18107
314 1 . 1 1 68 68 LYS N N 85 119.400 119.400 119.746 -0.346 18107
315 1 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.842 -0.041 18107
316 1 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.242 1.578 18107
317 1 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.277 0.638 18107
318 1 . 1 1 68 68 LYS H H 85 8.117 8.117 8.087 0.030 18107
319 1 . 1 1 69 69 PHE N N 86 117.969 117.969 119.453 -1.484 18107
320 1 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.109 0.180 18107
321 1 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.241 -0.372 18107
322 1 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.767 -0.012 18107
323 1 . 1 1 69 69 PHE H H 86 7.975 7.975 8.207 -0.232 18107
324 1 . 1 1 70 70 ASN N N 87 118.904 118.904 118.241 0.663 18107
325 1 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.327 0.034 18107
326 1 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.436 -0.168 18107
327 1 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.346 -0.248 18107
328 1 . 1 1 70 70 ASN H H 87 8.259 8.259 7.387 0.872 18107
329 1 . 1 1 71 71 PHE N N 88 121.068 121.068 118.502 2.566 18107
330 1 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.381 0.885 18107
331 1 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.508 1.279 18107
332 1 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.291 0.739 18107
333 1 . 1 1 71 71 PHE H H 88 8.618 8.618 7.369 1.249 18107
334 1 . 1 1 72 72 GLU N N 89 120.500 120.500 119.694 0.806 18107
335 1 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.936 -0.083 18107
336 1 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.256 1.241 18107
337 1 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.112 0.399 18107
338 1 . 1 1 72 72 GLU H H 89 8.709 8.709 8.672 0.037 18107
339 1 . 1 1 73 73 ALA N N 90 123.117 123.117 121.970 1.147 18107
340 1 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.019 0.019 18107
341 1 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.751 0.250 18107
342 1 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.991 -0.043 18107
343 1 . 1 1 73 73 ALA H H 90 8.158 8.158 7.892 0.266 18107
344 1 . 1 1 74 74 ALA N N 91 122.919 122.919 121.264 1.655 18107
345 1 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.101 -0.150 18107
346 1 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.463 0.816 18107
347 1 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.255 -0.589 18107
348 1 . 1 1 74 74 ALA H H 91 7.841 7.841 8.080 -0.239 18107
349 1 . 1 1 75 75 LEU N N 92 119.956 119.956 119.656 0.300 18107
350 1 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.140 -0.093 18107
351 1 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.163 0.296 18107
352 1 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.819 0.340 18107
353 1 . 1 1 75 75 LEU H H 92 8.091 8.091 8.383 -0.292 18107
354 1 . 1 1 76 76 ALA N N 93 120.763 120.763 120.920 -0.157 18107
355 1 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.111 0.019 18107
356 1 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.271 0.132 18107
357 1 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.164 -0.294 18107
358 1 . 1 1 76 76 ALA H H 93 7.774 7.774 7.872 -0.098 18107
359 1 . 1 1 77 77 THR N N 94 117.510 117.510 115.986 1.524 18107
360 1 . 1 1 77 77 THR HA H 94 4.234 4.234 4.042 0.192 18107
361 1 . 1 1 77 77 THR CA C 94 67.364 67.364 67.398 -0.034 18107
362 1 . 1 1 77 77 THR CB C 94 68.779 68.779 68.757 0.022 18107
363 1 . 1 1 77 77 THR H H 94 8.188 8.188 7.777 0.411 18107
364 1 . 1 1 78 78 GLY N N 95 110.009 110.009 109.614 0.395 18107
365 1 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.750 1.400 18107
366 1 . 1 1 78 78 GLY H H 95 8.547 8.547 8.814 -0.267 18107
367 1 . 1 1 79 79 ASP N N 96 121.634 121.634 122.845 -1.211 18107
368 1 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.433 -0.165 18107
369 1 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.335 0.601 18107
370 1 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.781 -0.141 18107
371 1 . 1 1 79 79 ASP H H 96 8.548 8.548 8.139 0.409 18107
372 1 . 1 1 80 80 LEU N N 97 122.599 122.599 119.551 3.048 18107
373 1 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.112 -0.104 18107
374 1 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.987 0.455 18107
375 1 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.070 -0.141 18107
376 1 . 1 1 80 80 LEU H H 97 7.618 7.618 7.667 -0.049 18107
377 1 . 1 1 81 81 LEU N N 98 119.913 119.913 117.776 2.137 18107
378 1 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.230 -0.199 18107
379 1 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.946 -0.139 18107
380 1 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.287 1.074 18107
381 1 . 1 1 81 81 LEU H H 98 8.224 8.224 7.812 0.412 18107
382 1 . 1 1 82 82 LEU N N 99 118.616 118.616 120.816 -2.200 18107
383 1 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.885 0.090 18107
384 1 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.977 0.092 18107
385 1 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.550 0.615 18107
386 1 . 1 1 82 82 LEU H H 99 8.359 8.359 8.597 -0.238 18107
387 1 . 1 1 83 83 LYS N N 100 118.988 118.988 118.968 0.020 18107
388 1 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.967 -0.083 18107
389 1 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.913 0.354 18107
390 1 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.051 0.120 18107
391 1 . 1 1 83 83 LYS H H 100 7.566 7.566 7.841 -0.275 18107
392 1 . 1 1 84 84 ASP N N 101 121.591 121.591 120.836 0.755 18107
393 1 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.485 -0.088 18107
394 1 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.903 0.793 18107
395 1 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.846 -0.441 18107
396 1 . 1 1 84 84 ASP H H 101 7.743 7.743 7.874 -0.131 18107
397 1 . 1 1 85 85 LEU N N 102 123.215 123.215 120.641 2.574 18107
398 1 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.899 -0.049 18107
399 1 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.300 1.541 18107
400 1 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.834 0.738 18107
401 1 . 1 1 85 85 LEU H H 102 8.760 8.760 8.369 0.391 18107
402 1 . 1 1 86 86 LYS N N 103 119.648 119.648 118.694 0.954 18107
403 1 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.062 0.006 18107
404 1 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.183 -0.391 18107
405 1 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.905 -0.773 18107
406 1 . 1 1 86 86 LYS H H 103 8.883 8.883 7.812 1.071 18107
407 1 . 1 1 87 87 ALA N N 104 122.844 122.844 121.855 0.989 18107
408 1 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.178 -0.018 18107
409 1 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.765 0.535 18107
410 1 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.269 -0.249 18107
411 1 . 1 1 87 87 ALA H H 104 7.721 7.721 7.669 0.052 18107
412 1 . 1 1 88 88 LEU N N 105 120.380 120.380 118.776 1.604 18107
413 1 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.038 -0.046 18107
414 1 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.097 0.089 18107
415 1 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.175 1.629 18107
416 1 . 1 1 88 88 LEU H H 105 7.762 7.762 8.199 -0.437 18107
417 1 . 1 1 89 89 GLN N N 106 118.781 118.781 119.472 -0.691 18107
418 1 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.904 -0.319 18107
419 1 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.525 0.452 18107
420 1 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.496 1.131 18107
421 1 . 1 1 89 89 GLN H H 106 8.658 8.658 8.147 0.511 18107
422 1 . 1 1 90 90 LYS N N 107 118.977 118.977 119.322 -0.345 18107
423 1 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.088 -0.140 18107
424 1 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.816 0.679 18107
425 1 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.880 0.543 18107
426 1 . 1 1 90 90 LYS H H 107 7.786 7.786 7.714 0.072 18107
427 1 . 1 1 91 91 ARG N N 108 117.470 117.470 120.257 -2.787 18107
428 1 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.082 -0.079 18107
429 1 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.535 0.047 18107
430 1 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.240 1.388 18107
431 1 . 1 1 91 91 ARG H H 108 7.469 7.469 7.646 -0.177 18107
432 1 . 1 1 92 92 VAL N N 109 117.865 117.865 119.749 -1.884 18107
433 1 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.719 -0.237 18107
434 1 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.103 0.508 18107
435 1 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.551 0.660 18107
436 1 . 1 1 92 92 VAL H H 109 8.084 8.084 8.455 -0.371 18107
437 1 . 1 1 93 93 GLN N N 110 119.617 119.617 118.187 1.430 18107
438 1 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.058 -0.182 18107
439 1 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.664 0.570 18107
440 1 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.539 0.485 18107
441 1 . 1 1 93 93 GLN H H 110 8.512 8.512 8.388 0.124 18107
442 1 . 1 1 94 94 ASP N N 111 117.490 117.490 119.273 -1.783 18107
443 1 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.566 -0.075 18107
444 1 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.083 -0.802 18107
445 1 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.154 -0.319 18107
446 1 . 1 1 94 94 ASP H H 111 8.194 8.194 8.129 0.065 18107
447 1 . 1 1 95 95 SER N N 112 116.625 116.625 113.544 3.081 18107
448 1 . 1 1 95 95 SER HA H 112 4.288 4.288 4.172 0.116 18107
449 1 . 1 1 95 95 SER CA C 112 59.770 59.770 60.735 -0.965 18107
450 1 . 1 1 95 95 SER CB C 112 63.990 63.990 63.059 0.931 18107
451 1 . 1 1 95 95 SER H H 112 7.479 7.479 8.002 -0.523 18107
stop_
save_