data_25446
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25446
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 25446
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLN N N 2 123.771 123.771 122.619 1.152 25446
2 1 1 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.477 -0.347 25446
3 1 1 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.386 2.163 25446
4 1 1 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.131 0.031 25446
5 1 1 . 1 1 2 2 GLN H H 2 9.634 9.634 8.483 1.151 25446
6 1 1 . 1 1 3 3 HIS N N 3 119.013 119.013 115.967 3.046 25446
7 1 1 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.168 1.016 25446
8 1 1 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.585 -1.582 25446
9 1 1 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.686 3.402 25446
10 1 1 . 1 1 3 3 HIS H H 3 9.946 9.946 8.559 1.387 25446
11 1 1 . 1 1 4 4 ALA N N 4 122.550 122.550 120.842 1.708 25446
12 1 1 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.974 -0.083 25446
13 1 1 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.862 1.698 25446
14 1 1 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.916 -0.124 25446
15 1 1 . 1 1 4 4 ALA H H 4 7.524 7.524 8.386 -0.862 25446
16 1 1 . 1 1 5 5 SER N N 5 112.310 112.310 112.832 -0.522 25446
17 1 1 . 1 1 5 5 SER HA H 5 4.295 4.295 4.184 0.111 25446
18 1 1 . 1 1 5 5 SER CA C 5 62.089 62.089 60.987 1.102 25446
19 1 1 . 1 1 5 5 SER CB C 5 62.421 62.421 62.626 -0.205 25446
20 1 1 . 1 1 5 5 SER H H 5 8.772 8.772 8.073 0.699 25446
21 1 1 . 1 1 6 6 VAL N N 6 122.625 122.625 122.781 -0.156 25446
22 1 1 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.828 0.283 25446
23 1 1 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.435 -0.727 25446
24 1 1 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.500 1.240 25446
25 1 1 . 1 1 6 6 VAL H H 6 7.657 7.657 7.518 0.139 25446
26 1 1 . 1 1 7 7 ILE N N 7 121.536 121.536 120.801 0.735 25446
27 1 1 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.621 0.605 25446
28 1 1 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.978 -0.685 25446
29 1 1 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.227 1.404 25446
30 1 1 . 1 1 7 7 ILE H H 7 8.526 8.526 7.454 1.072 25446
31 1 1 . 1 1 8 8 ALA N N 8 121.229 121.229 121.267 -0.038 25446
32 1 1 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.020 -0.124 25446
33 1 1 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.478 0.764 25446
34 1 1 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.041 0.690 25446
35 1 1 . 1 1 8 8 ALA H H 8 8.946 8.946 7.832 1.114 25446
36 1 1 . 1 1 9 9 GLN N N 9 114.998 114.998 119.458 -4.460 25446
37 1 1 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.084 -0.211 25446
38 1 1 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.139 -0.180 25446
39 1 1 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.810 -0.997 25446
40 1 1 . 1 1 9 9 GLN H H 9 7.731 7.731 8.254 -0.523 25446
41 1 1 . 1 1 10 10 PHE N N 10 120.075 120.075 121.052 -0.977 25446
42 1 1 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.214 -0.136 25446
43 1 1 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.834 -0.981 25446
44 1 1 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.542 -0.719 25446
45 1 1 . 1 1 10 10 PHE H H 10 7.299 7.299 8.742 -1.443 25446
46 1 1 . 1 1 11 11 VAL N N 11 117.458 117.458 116.863 0.595 25446
47 1 1 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.942 -0.635 25446
48 1 1 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.820 0.623 25446
49 1 1 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.008 -0.320 25446
50 1 1 . 1 1 11 11 VAL H H 11 8.363 8.363 8.276 0.087 25446
51 1 1 . 1 1 12 12 VAL N N 12 117.722 117.722 120.964 -3.242 25446
52 1 1 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.923 -0.176 25446
53 1 1 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.275 -1.356 25446
54 1 1 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.110 0.157 25446
55 1 1 . 1 1 12 12 VAL H H 12 8.289 8.289 8.784 -0.495 25446
56 1 1 . 1 1 13 13 GLU N N 13 117.827 117.827 119.110 -1.283 25446
57 1 1 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.980 -0.238 25446
58 1 1 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.063 0.130 25446
59 1 1 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.579 -0.085 25446
60 1 1 . 1 1 13 13 GLU H H 13 7.758 7.758 7.928 -0.170 25446
61 1 1 . 1 1 14 14 GLU N N 14 113.425 113.425 117.207 -3.782 25446
62 1 1 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.902 -0.130 25446
63 1 1 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.218 -1.611 25446
64 1 1 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.101 0.398 25446
65 1 1 . 1 1 14 14 GLU H H 14 7.604 7.604 7.638 -0.034 25446
66 1 1 . 1 1 15 15 PHE N N 15 114.097 114.097 115.497 -1.400 25446
67 1 1 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.519 0.422 25446
68 1 1 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.775 -1.782 25446
69 1 1 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.189 1.803 25446
70 1 1 . 1 1 15 15 PHE H H 15 7.916 7.916 7.119 0.797 25446
71 1 1 . 1 1 16 16 LEU N N 16 121.405 121.405 120.089 1.316 25446
72 1 1 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.862 0.105 25446
73 1 1 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.295 0.022 25446
74 1 1 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.996 0.739 25446
75 1 1 . 1 1 16 16 LEU H H 16 8.046 8.046 8.383 -0.337 25446
76 1 1 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.542 -0.168 25446
77 1 1 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.750 0.915 25446
78 1 1 . 1 1 18 18 ASP N N 18 116.413 116.413 117.549 -1.136 25446
79 1 1 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.629 -0.045 25446
80 1 1 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.667 -0.077 25446
81 1 1 . 1 1 18 18 ASP H H 18 8.415 8.415 8.639 -0.224 25446
82 1 1 . 1 1 19 19 VAL N N 19 122.077 122.077 119.943 2.134 25446
83 1 1 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.178 -0.065 25446
84 1 1 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.462 0.885 25446
85 1 1 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.092 -0.705 25446
86 1 1 . 1 1 19 19 VAL H H 19 7.771 7.771 7.299 0.472 25446
87 1 1 . 1 1 20 20 ALA N N 20 129.197 129.197 128.916 0.281 25446
88 1 1 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.387 0.201 25446
89 1 1 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.995 -0.767 25446
90 1 1 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.110 -0.687 25446
91 1 1 . 1 1 20 20 ALA H H 20 8.765 8.765 8.481 0.284 25446
92 1 1 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.240 -0.166 25446
93 1 1 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.264 0.876 25446
94 1 1 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.943 -0.605 25446
95 1 1 . 1 1 22 22 ALA N N 22 115.949 115.949 117.930 -1.981 25446
96 1 1 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.222 -0.105 25446
97 1 1 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.850 -0.067 25446
98 1 1 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.369 0.383 25446
99 1 1 . 1 1 22 22 ALA H H 22 8.074 8.074 8.015 0.059 25446
100 1 1 . 1 1 23 23 ASP N N 23 115.451 115.451 118.256 -2.805 25446
101 1 1 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.757 -0.105 25446
102 1 1 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.127 0.317 25446
103 1 1 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.941 0.199 25446
104 1 1 . 1 1 23 23 ASP H H 23 8.023 8.023 7.868 0.155 25446
105 1 1 . 1 1 24 24 VAL N N 24 121.382 121.382 120.947 0.435 25446
106 1 1 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.116 -0.288 25446
107 1 1 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.467 0.845 25446
108 1 1 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.464 -1.600 25446
109 1 1 . 1 1 24 24 VAL H H 24 7.072 7.072 7.324 -0.252 25446
110 1 1 . 1 1 25 25 ASP N N 25 129.258 129.258 127.738 1.520 25446
111 1 1 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.578 -0.006 25446
112 1 1 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.699 -0.229 25446
113 1 1 . 1 1 25 25 ASP H H 25 8.499 8.499 8.848 -0.349 25446
114 1 1 . 1 1 26 26 VAL N N 26 121.736 121.736 118.709 3.027 25446
115 1 1 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.852 0.256 25446
116 1 1 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.785 0.691 25446
117 1 1 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.911 -0.694 25446
118 1 1 . 1 1 26 26 VAL H H 26 8.566 8.566 7.860 0.706 25446
119 1 1 . 1 1 27 27 ASP N N 27 116.233 116.233 118.212 -1.979 25446
120 1 1 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.687 0.467 25446
121 1 1 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.208 -0.084 25446
122 1 1 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.257 2.335 25446
123 1 1 . 1 1 27 27 ASP H H 27 8.638 8.638 7.966 0.672 25446
124 1 1 . 1 1 28 28 LEU N N 28 125.046 125.046 122.827 2.219 25446
125 1 1 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.435 -0.409 25446
126 1 1 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.717 1.150 25446
127 1 1 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.420 -0.012 25446
128 1 1 . 1 1 28 28 LEU H H 28 7.389 7.389 7.447 -0.058 25446
129 1 1 . 1 1 29 29 ASP N N 29 125.807 125.807 126.120 -0.313 25446
130 1 1 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.758 0.073 25446
131 1 1 . 1 1 29 29 ASP H H 29 8.731 8.731 8.634 0.097 25446
132 1 1 . 1 1 30 30 LEU N N 30 130.007 130.007 125.798 4.209 25446
133 1 1 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.027 -0.129 25446
134 1 1 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.964 -0.545 25446
135 1 1 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.674 0.449 25446
136 1 1 . 1 1 30 30 LEU H H 30 9.744 9.744 8.690 1.054 25446
137 1 1 . 1 1 31 31 VAL N N 31 121.093 121.093 122.716 -1.623 25446
138 1 1 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.668 0.558 25446
139 1 1 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.640 -1.249 25446
140 1 1 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.061 1.120 25446
141 1 1 . 1 1 31 31 VAL H H 31 8.166 8.166 7.865 0.301 25446
142 1 1 . 1 1 32 32 ASP N N 32 124.657 124.657 119.870 4.787 25446
143 1 1 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.346 0.018 25446
144 1 1 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.033 0.086 25446
145 1 1 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.108 0.652 25446
146 1 1 . 1 1 32 32 ASP H H 32 9.365 9.365 8.088 1.277 25446
147 1 1 . 1 1 33 33 ASN N N 33 111.260 111.260 117.487 -6.227 25446
148 1 1 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.542 0.198 25446
149 1 1 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.791 1.021 25446
150 1 1 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.633 1.474 25446
151 1 1 . 1 1 33 33 ASN H H 33 7.423 7.423 8.035 -0.612 25446
152 1 1 . 1 1 34 34 GLY N N 34 106.935 106.935 109.558 -2.623 25446
153 1 1 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.960 -0.336 25446
154 1 1 . 1 1 34 34 GLY H H 34 7.648 7.648 8.624 -0.976 25446
155 1 1 . 1 1 35 35 VAL N N 35 120.307 120.307 121.454 -1.147 25446
156 1 1 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.617 0.163 25446
157 1 1 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.937 0.088 25446
158 1 1 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.807 -0.018 25446
159 1 1 . 1 1 35 35 VAL H H 35 7.838 7.838 7.489 0.349 25446
160 1 1 . 1 1 36 36 ILE N N 36 116.154 116.154 118.953 -2.799 25446
161 1 1 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.928 -0.169 25446
162 1 1 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.463 -2.887 25446
163 1 1 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.837 1.388 25446
164 1 1 . 1 1 36 36 ILE H H 36 7.337 7.337 8.776 -1.439 25446
165 1 1 . 1 1 37 37 ASP N N 37 126.730 126.730 120.461 6.269 25446
166 1 1 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.556 1.173 25446
167 1 1 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.590 -4.953 25446
168 1 1 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.334 0.917 25446
169 1 1 . 1 1 37 37 ASP H H 37 7.921 7.921 8.042 -0.121 25446
170 1 1 . 1 1 38 38 SER N N 38 113.176 113.176 113.593 -0.417 25446
171 1 1 . 1 1 38 38 SER HA H 38 4.122 4.122 4.550 -0.428 25446
172 1 1 . 1 1 38 38 SER CA C 38 61.062 61.062 59.708 1.354 25446
173 1 1 . 1 1 39 39 LEU N N 39 122.521 122.521 123.420 -0.899 25446
174 1 1 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.175 0.098 25446
175 1 1 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.242 -0.872 25446
176 1 1 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.923 -0.664 25446
177 1 1 . 1 1 39 39 LEU H H 39 7.675 7.675 7.689 -0.014 25446
178 1 1 . 1 1 40 40 GLY N N 40 111.971 111.971 106.685 5.286 25446
179 1 1 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.938 1.182 25446
180 1 1 . 1 1 40 40 GLY H H 40 8.776 8.776 7.599 1.177 25446
181 1 1 . 1 1 41 41 LEU N N 41 122.579 122.579 123.691 -1.112 25446
182 1 1 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.123 -0.278 25446
183 1 1 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.868 0.397 25446
184 1 1 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.082 -0.503 25446
185 1 1 . 1 1 41 41 LEU H H 41 8.551 8.551 8.767 -0.216 25446
186 1 1 . 1 1 42 42 LEU N N 42 116.126 116.126 119.473 -3.347 25446
187 1 1 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.974 0.035 25446
188 1 1 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.325 -0.224 25446
189 1 1 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.733 -0.786 25446
190 1 1 . 1 1 42 42 LEU H H 42 7.213 7.213 7.790 -0.577 25446
191 1 1 . 1 1 43 43 LYS N N 43 119.793 119.793 119.366 0.427 25446
192 1 1 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.104 0.178 25446
193 1 1 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.029 -0.459 25446
194 1 1 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.565 -0.028 25446
195 1 1 . 1 1 43 43 LYS H H 43 7.664 7.664 7.533 0.131 25446
196 1 1 . 1 1 44 44 VAL N N 44 121.147 121.147 121.231 -0.084 25446
197 1 1 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.928 0.009 25446
198 1 1 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.028 -0.210 25446
199 1 1 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.998 -0.439 25446
200 1 1 . 1 1 44 44 VAL H H 44 8.278 8.278 8.838 -0.560 25446
201 1 1 . 1 1 45 45 ILE N N 45 119.222 119.222 120.412 -1.190 25446
202 1 1 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.708 -0.303 25446
203 1 1 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.322 1.739 25446
204 1 1 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.200 1.039 25446
205 1 1 . 1 1 45 45 ILE H H 45 8.127 8.127 8.669 -0.542 25446
206 1 1 . 1 1 46 46 ALA N N 46 121.011 121.011 122.583 -1.572 25446
207 1 1 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.140 0.092 25446
208 1 1 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.199 -0.239 25446
209 1 1 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.320 0.020 25446
210 1 1 . 1 1 46 46 ALA H H 46 7.811 7.811 7.861 -0.050 25446
211 1 1 . 1 1 47 47 TRP N N 47 121.158 121.158 121.310 -0.152 25446
212 1 1 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.479 -0.244 25446
213 1 1 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.962 1.872 25446
214 1 1 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.600 -1.380 25446
215 1 1 . 1 1 47 47 TRP H H 47 8.094 8.094 8.382 -0.288 25446
216 1 1 . 1 1 48 48 LEU N N 48 118.890 118.890 121.184 -2.294 25446
217 1 1 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.211 0.362 25446
218 1 1 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.398 -0.206 25446
219 1 1 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.560 0.694 25446
220 1 1 . 1 1 48 48 LEU H H 48 8.704 8.704 8.667 0.037 25446
221 1 1 . 1 1 49 49 GLU N N 49 118.917 118.917 118.279 0.638 25446
222 1 1 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.967 0.079 25446
223 1 1 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.227 0.481 25446
224 1 1 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.730 0.885 25446
225 1 1 . 1 1 49 49 GLU H H 49 7.808 7.808 8.344 -0.536 25446
226 1 1 . 1 1 50 50 ASP N N 50 119.614 119.614 120.008 -0.394 25446
227 1 1 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.404 -0.164 25446
228 1 1 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.553 0.456 25446
229 1 1 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.088 1.289 25446
230 1 1 . 1 1 50 50 ASP H H 50 7.677 7.677 7.599 0.078 25446
231 1 1 . 1 1 51 51 ARG N N 51 116.918 116.918 117.841 -0.923 25446
232 1 1 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.981 -0.256 25446
233 1 1 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.369 -2.081 25446
234 1 1 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.293 -1.009 25446
235 1 1 . 1 1 51 51 ARG H H 51 8.876 8.876 7.929 0.947 25446
236 1 1 . 1 1 52 52 PHE N N 52 112.278 112.278 113.947 -1.669 25446
237 1 1 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.631 0.026 25446
238 1 1 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.300 -1.250 25446
239 1 1 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.809 0.943 25446
240 1 1 . 1 1 52 52 PHE H H 52 7.330 7.330 7.619 -0.289 25446
241 1 1 . 1 1 53 53 GLY N N 53 109.717 109.717 109.512 0.205 25446
242 1 1 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.683 0.963 25446
243 1 1 . 1 1 53 53 GLY H H 53 7.411 7.411 8.242 -0.831 25446
244 1 1 . 1 1 54 54 ILE N N 54 119.148 119.148 120.880 -1.732 25446
245 1 1 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.088 -0.145 25446
246 1 1 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.653 -0.053 25446
247 1 1 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.489 1.020 25446
248 1 1 . 1 1 54 54 ILE H H 54 6.901 6.901 7.608 -0.707 25446
249 1 1 . 1 1 55 55 ALA N N 55 129.774 129.774 130.433 -0.659 25446
250 1 1 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.313 0.089 25446
251 1 1 . 1 1 55 55 ALA CA C 55 51.648 51.648 51.961 -0.313 25446
252 1 1 . 1 1 55 55 ALA H H 55 8.538 8.538 8.529 0.009 25446
253 1 1 . 1 1 56 56 ALA N N 56 126.034 126.034 125.252 0.782 25446
254 1 1 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.005 0.268 25446
255 1 1 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.367 -0.755 25446
256 1 1 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.375 0.747 25446
257 1 1 . 1 1 56 56 ALA H H 56 8.620 8.620 8.832 -0.212 25446
258 1 1 . 1 1 57 57 ASP N N 57 115.649 115.649 116.971 -1.322 25446
259 1 1 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.343 0.133 25446
260 1 1 . 1 1 57 57 ASP CA C 57 55.170 55.170 56.265 -1.095 25446
261 1 1 . 1 1 57 57 ASP H H 57 8.321 8.321 8.596 -0.275 25446
262 1 1 . 1 1 58 58 ASP N N 58 118.298 118.298 118.702 -0.404 25446
263 1 1 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.393 0.275 25446
264 1 1 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.880 -1.078 25446
265 1 1 . 1 1 58 58 ASP H H 58 7.971 7.971 7.878 0.093 25446
266 1 1 . 1 1 59 59 VAL N N 59 118.443 118.443 118.392 0.051 25446
267 1 1 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.124 0.085 25446
268 1 1 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.005 1.065 25446
269 1 1 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.810 -1.480 25446
270 1 1 . 1 1 59 59 VAL H H 59 7.700 7.700 7.473 0.227 25446
271 1 1 . 1 1 60 60 GLU N N 60 122.777 122.777 126.308 -3.531 25446
272 1 1 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.367 -0.084 25446
273 1 1 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.646 0.672 25446
274 1 1 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.776 -0.899 25446
275 1 1 . 1 1 60 60 GLU H H 60 8.416 8.416 8.202 0.214 25446
276 1 1 . 1 1 61 61 LEU N N 61 124.910 124.910 124.933 -0.023 25446
277 1 1 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.531 -0.174 25446
278 1 1 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.843 0.319 25446
279 1 1 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.679 -0.834 25446
280 1 1 . 1 1 61 61 LEU H H 61 8.249 8.249 8.416 -0.167 25446
281 1 1 . 1 1 62 62 SER N N 62 118.228 118.228 117.354 0.874 25446
282 1 1 . 1 1 62 62 SER HA H 62 4.816 4.816 4.861 -0.045 25446
283 1 1 . 1 1 62 62 SER CB C 62 63.963 63.963 65.402 -1.439 25446
284 1 1 . 1 1 62 62 SER H H 62 8.025 8.025 8.223 -0.198 25446
285 1 1 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.651 -0.397 25446
286 1 1 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.963 -0.069 25446
287 1 1 . 1 1 64 64 GLU N N 64 116.457 116.457 117.770 -1.313 25446
288 1 1 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.112 -0.245 25446
289 1 1 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.870 -0.124 25446
290 1 1 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.839 -0.132 25446
291 1 1 . 1 1 64 64 GLU H H 64 8.310 8.310 8.874 -0.564 25446
292 1 1 . 1 1 65 65 HIS N N 65 114.998 114.998 119.966 -4.968 25446
293 1 1 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.230 0.067 25446
294 1 1 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.359 -0.994 25446
295 1 1 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.639 -0.032 25446
296 1 1 . 1 1 65 65 HIS H H 65 7.324 7.324 7.813 -0.489 25446
297 1 1 . 1 1 66 66 PHE N N 66 115.965 115.965 115.260 0.705 25446
298 1 1 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.562 0.220 25446
299 1 1 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.419 -2.753 25446
300 1 1 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.851 0.133 25446
301 1 1 . 1 1 66 66 PHE H H 66 7.245 7.245 7.762 -0.517 25446
302 1 1 . 1 1 67 67 ARG N N 67 112.179 112.179 120.391 -8.212 25446
303 1 1 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.007 0.077 25446
304 1 1 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.472 -0.181 25446
305 1 1 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.804 0.833 25446
306 1 1 . 1 1 67 67 ARG H H 67 6.632 6.632 7.560 -0.928 25446
307 1 1 . 1 1 68 68 SER N N 68 109.181 109.181 108.172 1.009 25446
308 1 1 . 1 1 68 68 SER HA H 68 4.985 4.985 4.619 0.366 25446
309 1 1 . 1 1 68 68 SER CA C 68 55.664 55.664 56.515 -0.851 25446
310 1 1 . 1 1 68 68 SER CB C 68 67.608 67.608 64.309 3.299 25446
311 1 1 . 1 1 68 68 SER H H 68 8.139 8.139 7.512 0.627 25446
312 1 1 . 1 1 69 69 ILE N N 69 122.526 122.526 126.628 -4.102 25446
313 1 1 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.791 -0.109 25446
314 1 1 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.031 1.707 25446
315 1 1 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.991 -1.003 25446
316 1 1 . 1 1 69 69 ILE H H 69 9.770 9.770 9.169 0.601 25446
317 1 1 . 1 1 70 70 ARG N N 70 118.671 118.671 120.556 -1.885 25446
318 1 1 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.122 -0.153 25446
319 1 1 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.943 0.386 25446
320 1 1 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.882 0.418 25446
321 1 1 . 1 1 70 70 ARG H H 70 8.860 8.860 7.716 1.144 25446
322 1 1 . 1 1 71 71 SER N N 71 117.722 117.722 115.091 2.631 25446
323 1 1 . 1 1 71 71 SER HA H 71 4.346 4.346 4.153 0.193 25446
324 1 1 . 1 1 71 71 SER CB C 71 62.962 62.962 62.779 0.183 25446
325 1 1 . 1 1 71 71 SER H H 71 8.534 8.534 7.606 0.928 25446
326 1 1 . 1 1 72 72 ILE N N 72 127.380 127.380 122.359 5.021 25446
327 1 1 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.751 0.174 25446
328 1 1 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.189 1.556 25446
329 1 1 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.430 -0.069 25446
330 1 1 . 1 1 72 72 ILE H H 72 8.789 8.789 7.318 1.471 25446
331 1 1 . 1 1 73 73 ASP N N 73 121.443 121.443 120.673 0.770 25446
332 1 1 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.222 -0.210 25446
333 1 1 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.659 1.441 25446
334 1 1 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.812 3.868 25446
335 1 1 . 1 1 73 73 ASP H H 73 8.699 8.699 8.197 0.502 25446
336 1 1 . 1 1 74 74 ALA N N 74 118.799 118.799 122.223 -3.424 25446
337 1 1 . 1 1 74 74 ALA HA H 74 4.039 4.039 3.998 0.041 25446
338 1 1 . 1 1 74 74 ALA CA C 74 55.235 55.235 54.935 0.300 25446
339 1 1 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.109 -0.160 25446
340 1 1 . 1 1 74 74 ALA H H 74 8.042 8.042 7.642 0.400 25446
341 1 1 . 1 1 75 75 PHE N N 75 121.125 121.125 117.932 3.193 25446
342 1 1 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.168 -0.123 25446
343 1 1 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.881 -0.930 25446
344 1 1 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.642 0.229 25446
345 1 1 . 1 1 75 75 PHE H H 75 8.369 8.369 7.532 0.837 25446
346 1 1 . 1 1 76 76 VAL N N 76 120.715 120.715 119.467 1.248 25446
347 1 1 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.617 -0.667 25446
348 1 1 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.091 -0.262 25446
349 1 1 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.343 -0.116 25446
350 1 1 . 1 1 76 76 VAL H H 76 8.555 8.555 8.593 -0.038 25446
351 1 1 . 1 1 77 77 VAL N N 77 121.286 121.286 119.048 2.238 25446
352 1 1 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.540 -0.047 25446
353 1 1 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.222 0.557 25446
354 1 1 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.622 0.244 25446
355 1 1 . 1 1 77 77 VAL H H 77 8.770 8.770 8.288 0.482 25446
356 1 1 . 1 1 78 78 GLY N N 78 106.349 106.349 106.054 0.295 25446
357 1 1 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.706 -0.074 25446
358 1 1 . 1 1 78 78 GLY H H 78 7.976 7.976 8.033 -0.057 25446
359 1 1 . 1 1 79 79 ALA N N 79 120.998 120.998 122.376 -1.378 25446
360 1 1 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.658 -0.451 25446
361 1 1 . 1 1 79 79 ALA CA C 79 52.796 52.796 53.030 -0.234 25446
362 1 1 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.707 -1.441 25446
363 1 1 . 1 1 79 79 ALA H H 79 7.647 7.647 7.518 0.129 25446
364 1 1 . 1 1 80 80 THR N N 80 107.402 107.402 113.945 -6.543 25446
365 1 1 . 1 1 80 80 THR HA H 80 4.454 4.454 4.435 0.019 25446
366 1 1 . 1 1 80 80 THR CA C 80 61.337 61.337 61.878 -0.541 25446
367 1 1 . 1 1 80 80 THR CB C 80 70.703 70.703 70.899 -0.196 25446
368 1 1 . 1 1 80 80 THR H H 80 7.469 7.469 8.115 -0.646 25446
369 1 1 . 1 1 81 81 THR N N 81 119.746 119.746 117.677 2.069 25446
370 1 1 . 1 1 81 81 THR HA H 81 4.668 4.668 4.565 0.103 25446
371 1 1 . 1 1 81 81 THR CA C 81 60.448 60.448 58.487 1.961 25446
372 1 1 . 1 1 81 81 THR CB C 81 70.062 70.062 69.514 0.548 25446
373 1 1 . 1 1 81 81 THR H H 81 7.684 7.684 8.004 -0.320 25446
374 1 1 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.785 -0.086 25446
375 1 1 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.723 0.887 25446
376 1 1 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.738 -0.734 25446
377 1 1 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.386 0.087 25446
378 1 1 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.241 0.570 25446
379 1 1 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.299 -0.218 25446
380 1 1 . 1 1 84 84 VAL N N 84 120.611 120.611 122.422 -1.811 25446
381 1 1 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.316 -0.269 25446
382 1 1 . 1 1 84 84 VAL CA C 84 62.313 62.313 59.912 2.401 25446
383 1 1 . 1 1 84 84 VAL CB C 84 32.872 32.872 35.434 -2.562 25446
384 1 1 . 1 1 84 84 VAL H H 84 8.240 8.240 8.228 0.012 25446
385 1 1 . 1 1 85 85 GLU N N 85 125.076 125.076 126.371 -1.295 25446
386 1 1 . 1 1 85 85 GLU H H 85 8.434 8.434 8.655 -0.221 25446
387 1 1 . 1 1 86 86 ALA N N 86 126.280 126.280 117.805 8.475 25446
388 1 1 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.951 1.337 25446
389 1 1 . 1 1 86 86 ALA H H 86 8.340 8.340 7.518 0.822 25446
390 1 1 . 1 1 87 87 LYS N N 87 121.709 121.709 121.438 0.271 25446
391 1 1 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.912 0.292 25446
392 1 1 . 1 1 87 87 LYS H H 87 8.334 8.334 8.437 -0.103 25446
393 1 1 . 1 1 88 88 LEU N N 88 125.379 125.379 126.075 -0.696 25446
394 1 1 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.398 -4.398 25446
395 1 1 . 1 1 88 88 LEU H H 88 8.435 8.435 8.620 -0.185 25446
396 1 2 . 1 1 2 2 GLN N N 2 123.771 123.771 122.754 1.017 25446
397 1 2 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.407 -0.277 25446
398 1 2 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.574 1.975 25446
399 1 2 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.317 0.845 25446
400 1 2 . 1 1 2 2 GLN H H 2 9.634 9.634 8.384 1.250 25446
401 1 2 . 1 1 3 3 HIS N N 3 119.013 119.013 120.224 -1.211 25446
402 1 2 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.135 1.049 25446
403 1 2 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.334 -1.331 25446
404 1 2 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.835 3.253 25446
405 1 2 . 1 1 3 3 HIS H H 3 9.946 9.946 9.020 0.926 25446
406 1 2 . 1 1 4 4 ALA N N 4 122.550 122.550 120.812 1.738 25446
407 1 2 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.140 -0.249 25446
408 1 2 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.987 1.573 25446
409 1 2 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.010 -0.218 25446
410 1 2 . 1 1 4 4 ALA H H 4 7.524 7.524 8.229 -0.705 25446
411 1 2 . 1 1 5 5 SER N N 5 112.310 112.310 112.874 -0.564 25446
412 1 2 . 1 1 5 5 SER HA H 5 4.295 4.295 4.137 0.158 25446
413 1 2 . 1 1 5 5 SER CA C 5 62.089 62.089 60.918 1.171 25446
414 1 2 . 1 1 5 5 SER CB C 5 62.421 62.421 62.630 -0.209 25446
415 1 2 . 1 1 5 5 SER H H 5 8.772 8.772 8.269 0.503 25446
416 1 2 . 1 1 6 6 VAL N N 6 122.625 122.625 122.783 -0.158 25446
417 1 2 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.768 0.343 25446
418 1 2 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.217 -0.509 25446
419 1 2 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.842 0.898 25446
420 1 2 . 1 1 6 6 VAL H H 6 7.657 7.657 7.400 0.257 25446
421 1 2 . 1 1 7 7 ILE N N 7 121.536 121.536 119.940 1.596 25446
422 1 2 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.744 0.482 25446
423 1 2 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.145 0.148 25446
424 1 2 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.417 1.214 25446
425 1 2 . 1 1 7 7 ILE H H 7 8.526 8.526 7.390 1.136 25446
426 1 2 . 1 1 8 8 ALA N N 8 121.229 121.229 121.767 -0.538 25446
427 1 2 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.052 -0.156 25446
428 1 2 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.573 0.669 25446
429 1 2 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.174 0.557 25446
430 1 2 . 1 1 8 8 ALA H H 8 8.946 8.946 7.741 1.205 25446
431 1 2 . 1 1 9 9 GLN N N 9 114.998 114.998 119.192 -4.194 25446
432 1 2 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.065 -0.192 25446
433 1 2 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.355 0.605 25446
434 1 2 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.235 -0.422 25446
435 1 2 . 1 1 9 9 GLN H H 9 7.731 7.731 8.167 -0.436 25446
436 1 2 . 1 1 10 10 PHE N N 10 120.075 120.075 121.316 -1.241 25446
437 1 2 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.124 -0.046 25446
438 1 2 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.923 -1.070 25446
439 1 2 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.395 -0.572 25446
440 1 2 . 1 1 10 10 PHE H H 10 7.299 7.299 8.684 -1.385 25446
441 1 2 . 1 1 11 11 VAL N N 11 117.458 117.458 118.617 -1.159 25446
442 1 2 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.881 -0.574 25446
443 1 2 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.195 0.249 25446
444 1 2 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.313 -0.625 25446
445 1 2 . 1 1 11 11 VAL H H 11 8.363 8.363 8.339 0.024 25446
446 1 2 . 1 1 12 12 VAL N N 12 117.722 117.722 119.845 -2.123 25446
447 1 2 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.585 1.162 25446
448 1 2 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.883 0.035 25446
449 1 2 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.957 0.310 25446
450 1 2 . 1 1 12 12 VAL H H 12 8.289 8.289 8.222 0.067 25446
451 1 2 . 1 1 13 13 GLU N N 13 117.827 117.827 118.613 -0.786 25446
452 1 2 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.853 -0.111 25446
453 1 2 . 1 1 13 13 GLU CA C 13 59.193 59.193 58.953 0.240 25446
454 1 2 . 1 1 13 13 GLU CB C 13 29.494 29.494 28.907 0.587 25446
455 1 2 . 1 1 13 13 GLU H H 13 7.758 7.758 7.851 -0.093 25446
456 1 2 . 1 1 14 14 GLU N N 14 113.425 113.425 118.558 -5.133 25446
457 1 2 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.048 -0.276 25446
458 1 2 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.089 -1.482 25446
459 1 2 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.980 -0.481 25446
460 1 2 . 1 1 14 14 GLU H H 14 7.604 7.604 7.703 -0.099 25446
461 1 2 . 1 1 15 15 PHE N N 15 114.097 114.097 112.085 2.012 25446
462 1 2 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.781 0.160 25446
463 1 2 . 1 1 15 15 PHE CA C 15 57.993 57.993 57.588 0.405 25446
464 1 2 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.949 1.043 25446
465 1 2 . 1 1 15 15 PHE H H 15 7.916 7.916 6.985 0.931 25446
466 1 2 . 1 1 16 16 LEU N N 16 121.405 121.405 122.352 -0.947 25446
467 1 2 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.727 0.240 25446
468 1 2 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.026 0.291 25446
469 1 2 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.752 0.983 25446
470 1 2 . 1 1 16 16 LEU H H 16 8.046 8.046 7.366 0.680 25446
471 1 2 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.439 -0.065 25446
472 1 2 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.049 1.616 25446
473 1 2 . 1 1 18 18 ASP N N 18 116.413 116.413 118.103 -1.690 25446
474 1 2 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.468 0.116 25446
475 1 2 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.217 0.374 25446
476 1 2 . 1 1 18 18 ASP H H 18 8.415 8.415 8.643 -0.228 25446
477 1 2 . 1 1 19 19 VAL N N 19 122.077 122.077 118.951 3.126 25446
478 1 2 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.088 0.025 25446
479 1 2 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.145 0.202 25446
480 1 2 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.834 -1.447 25446
481 1 2 . 1 1 19 19 VAL H H 19 7.771 7.771 7.093 0.678 25446
482 1 2 . 1 1 20 20 ALA N N 20 129.197 129.197 128.074 1.123 25446
483 1 2 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.376 0.212 25446
484 1 2 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.766 -0.538 25446
485 1 2 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.135 -0.712 25446
486 1 2 . 1 1 20 20 ALA H H 20 8.765 8.765 8.536 0.229 25446
487 1 2 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.182 -0.108 25446
488 1 2 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.076 1.065 25446
489 1 2 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.850 -0.512 25446
490 1 2 . 1 1 22 22 ALA N N 22 115.949 115.949 118.949 -3.000 25446
491 1 2 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.203 -0.086 25446
492 1 2 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.775 0.008 25446
493 1 2 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.447 0.305 25446
494 1 2 . 1 1 22 22 ALA H H 22 8.074 8.074 7.992 0.082 25446
495 1 2 . 1 1 23 23 ASP N N 23 115.451 115.451 116.731 -1.280 25446
496 1 2 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.669 -0.017 25446
497 1 2 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.271 1.173 25446
498 1 2 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.625 0.515 25446
499 1 2 . 1 1 23 23 ASP H H 23 8.023 8.023 7.780 0.243 25446
500 1 2 . 1 1 24 24 VAL N N 24 121.382 121.382 121.115 0.267 25446
501 1 2 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.114 -0.286 25446
502 1 2 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.963 0.348 25446
503 1 2 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.029 -1.165 25446
504 1 2 . 1 1 24 24 VAL H H 24 7.072 7.072 7.346 -0.274 25446
505 1 2 . 1 1 25 25 ASP N N 25 129.258 129.258 126.864 2.394 25446
506 1 2 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.590 -0.018 25446
507 1 2 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.763 0.707 25446
508 1 2 . 1 1 25 25 ASP H H 25 8.499 8.499 8.827 -0.328 25446
509 1 2 . 1 1 26 26 VAL N N 26 121.736 121.736 120.222 1.514 25446
510 1 2 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.946 0.162 25446
511 1 2 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.488 0.988 25446
512 1 2 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.057 0.160 25446
513 1 2 . 1 1 26 26 VAL H H 26 8.566 8.566 8.154 0.412 25446
514 1 2 . 1 1 27 27 ASP N N 27 116.233 116.233 119.152 -2.919 25446
515 1 2 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.699 0.455 25446
516 1 2 . 1 1 27 27 ASP CA C 27 54.123 54.123 53.519 0.604 25446
517 1 2 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.493 1.099 25446
518 1 2 . 1 1 27 27 ASP H H 27 8.638 8.638 7.898 0.740 25446
519 1 2 . 1 1 28 28 LEU N N 28 125.046 125.046 122.389 2.657 25446
520 1 2 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.470 -0.444 25446
521 1 2 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.378 1.489 25446
522 1 2 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.952 -0.544 25446
523 1 2 . 1 1 28 28 LEU H H 28 7.389 7.389 7.564 -0.175 25446
524 1 2 . 1 1 29 29 ASP N N 29 125.807 125.807 124.787 1.020 25446
525 1 2 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.662 0.169 25446
526 1 2 . 1 1 29 29 ASP H H 29 8.731 8.731 8.552 0.179 25446
527 1 2 . 1 1 30 30 LEU N N 30 130.007 130.007 123.125 6.882 25446
528 1 2 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.098 -0.200 25446
529 1 2 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.537 -0.118 25446
530 1 2 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.328 0.795 25446
531 1 2 . 1 1 30 30 LEU H H 30 9.744 9.744 8.498 1.246 25446
532 1 2 . 1 1 31 31 VAL N N 31 121.093 121.093 122.189 -1.096 25446
533 1 2 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.591 0.635 25446
534 1 2 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.528 -2.136 25446
535 1 2 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.959 1.222 25446
536 1 2 . 1 1 31 31 VAL H H 31 8.166 8.166 7.946 0.220 25446
537 1 2 . 1 1 32 32 ASP N N 32 124.657 124.657 119.561 5.096 25446
538 1 2 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.359 0.005 25446
539 1 2 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.954 0.165 25446
540 1 2 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.028 0.732 25446
541 1 2 . 1 1 32 32 ASP H H 32 9.365 9.365 7.984 1.381 25446
542 1 2 . 1 1 33 33 ASN N N 33 111.260 111.260 117.862 -6.602 25446
543 1 2 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.573 0.167 25446
544 1 2 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.949 0.863 25446
545 1 2 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.898 1.208 25446
546 1 2 . 1 1 33 33 ASN H H 33 7.423 7.423 7.968 -0.545 25446
547 1 2 . 1 1 34 34 GLY N N 34 106.935 106.935 109.725 -2.790 25446
548 1 2 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.176 -0.552 25446
549 1 2 . 1 1 34 34 GLY H H 34 7.648 7.648 8.638 -0.990 25446
550 1 2 . 1 1 35 35 VAL N N 35 120.307 120.307 121.733 -1.426 25446
551 1 2 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.629 0.151 25446
552 1 2 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.647 0.378 25446
553 1 2 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.540 0.249 25446
554 1 2 . 1 1 35 35 VAL H H 35 7.838 7.838 7.399 0.439 25446
555 1 2 . 1 1 36 36 ILE N N 36 116.154 116.154 119.330 -3.176 25446
556 1 2 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.782 -0.023 25446
557 1 2 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.971 -3.395 25446
558 1 2 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.707 1.518 25446
559 1 2 . 1 1 36 36 ILE H H 36 7.337 7.337 8.753 -1.416 25446
560 1 2 . 1 1 37 37 ASP N N 37 126.730 126.730 120.255 6.475 25446
561 1 2 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.812 0.917 25446
562 1 2 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.572 -4.935 25446
563 1 2 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.064 1.187 25446
564 1 2 . 1 1 37 37 ASP H H 37 7.921 7.921 7.880 0.041 25446
565 1 2 . 1 1 38 38 SER N N 38 113.176 113.176 113.916 -0.740 25446
566 1 2 . 1 1 38 38 SER HA H 38 4.122 4.122 4.544 -0.422 25446
567 1 2 . 1 1 38 38 SER CA C 38 61.062 61.062 60.044 1.018 25446
568 1 2 . 1 1 39 39 LEU N N 39 122.521 122.521 122.774 -0.253 25446
569 1 2 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.125 0.148 25446
570 1 2 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.485 -1.115 25446
571 1 2 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.015 -0.756 25446
572 1 2 . 1 1 39 39 LEU H H 39 7.675 7.675 7.715 -0.040 25446
573 1 2 . 1 1 40 40 GLY N N 40 111.971 111.971 106.630 5.341 25446
574 1 2 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.921 1.199 25446
575 1 2 . 1 1 40 40 GLY H H 40 8.776 8.776 7.563 1.213 25446
576 1 2 . 1 1 41 41 LEU N N 41 122.579 122.579 123.679 -1.100 25446
577 1 2 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.197 -0.352 25446
578 1 2 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.820 0.445 25446
579 1 2 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.067 -0.488 25446
580 1 2 . 1 1 41 41 LEU H H 41 8.551 8.551 8.522 0.029 25446
581 1 2 . 1 1 42 42 LEU N N 42 116.126 116.126 119.449 -3.323 25446
582 1 2 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.924 0.085 25446
583 1 2 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.676 -0.575 25446
584 1 2 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.687 -0.740 25446
585 1 2 . 1 1 42 42 LEU H H 42 7.213 7.213 7.930 -0.717 25446
586 1 2 . 1 1 43 43 LYS N N 43 119.793 119.793 119.221 0.572 25446
587 1 2 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.067 0.215 25446
588 1 2 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.865 -0.295 25446
589 1 2 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.318 0.219 25446
590 1 2 . 1 1 43 43 LYS H H 43 7.664 7.664 7.443 0.221 25446
591 1 2 . 1 1 44 44 VAL N N 44 121.147 121.147 121.163 -0.016 25446
592 1 2 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.068 -0.131 25446
593 1 2 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.299 -0.481 25446
594 1 2 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.837 -0.278 25446
595 1 2 . 1 1 44 44 VAL H H 44 8.278 8.278 8.513 -0.235 25446
596 1 2 . 1 1 45 45 ILE N N 45 119.222 119.222 120.545 -1.323 25446
597 1 2 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.819 -0.414 25446
598 1 2 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.736 2.325 25446
599 1 2 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.962 2.277 25446
600 1 2 . 1 1 45 45 ILE H H 45 8.127 8.127 8.843 -0.716 25446
601 1 2 . 1 1 46 46 ALA N N 46 121.011 121.011 123.090 -2.079 25446
602 1 2 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.485 -0.253 25446
603 1 2 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.902 0.058 25446
604 1 2 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.492 -0.152 25446
605 1 2 . 1 1 46 46 ALA H H 46 7.811 7.811 8.163 -0.352 25446
606 1 2 . 1 1 47 47 TRP N N 47 121.158 121.158 121.060 0.098 25446
607 1 2 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.469 -0.234 25446
608 1 2 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.615 1.218 25446
609 1 2 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.890 -1.671 25446
610 1 2 . 1 1 47 47 TRP H H 47 8.094 8.094 8.003 0.091 25446
611 1 2 . 1 1 48 48 LEU N N 48 118.890 118.890 121.309 -2.419 25446
612 1 2 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.805 0.768 25446
613 1 2 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.041 0.151 25446
614 1 2 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.674 0.580 25446
615 1 2 . 1 1 48 48 LEU H H 48 8.704 8.704 8.963 -0.259 25446
616 1 2 . 1 1 49 49 GLU N N 49 118.917 118.917 118.109 0.808 25446
617 1 2 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.910 0.136 25446
618 1 2 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.359 0.349 25446
619 1 2 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.905 0.711 25446
620 1 2 . 1 1 49 49 GLU H H 49 7.808 7.808 8.650 -0.842 25446
621 1 2 . 1 1 50 50 ASP N N 50 119.614 119.614 120.549 -0.935 25446
622 1 2 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.421 -0.181 25446
623 1 2 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.356 0.653 25446
624 1 2 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.681 1.696 25446
625 1 2 . 1 1 50 50 ASP H H 50 7.677 7.677 7.607 0.070 25446
626 1 2 . 1 1 51 51 ARG N N 51 116.918 116.918 117.685 -0.767 25446
627 1 2 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.931 -0.206 25446
628 1 2 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.427 -2.139 25446
629 1 2 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.493 -1.209 25446
630 1 2 . 1 1 51 51 ARG H H 51 8.876 8.876 7.358 1.518 25446
631 1 2 . 1 1 52 52 PHE N N 52 112.278 112.278 114.752 -2.474 25446
632 1 2 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.598 0.059 25446
633 1 2 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.229 -1.179 25446
634 1 2 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.602 1.150 25446
635 1 2 . 1 1 52 52 PHE H H 52 7.330 7.330 7.601 -0.271 25446
636 1 2 . 1 1 53 53 GLY N N 53 109.717 109.717 109.675 0.042 25446
637 1 2 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.696 0.950 25446
638 1 2 . 1 1 53 53 GLY H H 53 7.411 7.411 8.290 -0.879 25446
639 1 2 . 1 1 54 54 ILE N N 54 119.148 119.148 120.827 -1.679 25446
640 1 2 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.096 -0.153 25446
641 1 2 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.509 0.091 25446
642 1 2 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.558 0.951 25446
643 1 2 . 1 1 54 54 ILE H H 54 6.901 6.901 7.416 -0.515 25446
644 1 2 . 1 1 55 55 ALA N N 55 129.774 129.774 129.880 -0.106 25446
645 1 2 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.280 0.122 25446
646 1 2 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.152 -0.504 25446
647 1 2 . 1 1 55 55 ALA H H 55 8.538 8.538 8.216 0.322 25446
648 1 2 . 1 1 56 56 ALA N N 56 126.034 126.034 126.111 -0.077 25446
649 1 2 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.031 0.242 25446
650 1 2 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.863 -1.251 25446
651 1 2 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.550 0.572 25446
652 1 2 . 1 1 56 56 ALA H H 56 8.620 8.620 9.027 -0.407 25446
653 1 2 . 1 1 57 57 ASP N N 57 115.649 115.649 116.812 -1.163 25446
654 1 2 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.392 0.084 25446
655 1 2 . 1 1 57 57 ASP CA C 57 55.170 55.170 56.192 -1.022 25446
656 1 2 . 1 1 57 57 ASP H H 57 8.321 8.321 8.625 -0.304 25446
657 1 2 . 1 1 58 58 ASP N N 58 118.298 118.298 117.868 0.430 25446
658 1 2 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.429 0.239 25446
659 1 2 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.975 -1.173 25446
660 1 2 . 1 1 58 58 ASP H H 58 7.971 7.971 7.831 0.140 25446
661 1 2 . 1 1 59 59 VAL N N 59 118.443 118.443 114.463 3.980 25446
662 1 2 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.398 -0.189 25446
663 1 2 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.772 1.298 25446
664 1 2 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.212 -1.882 25446
665 1 2 . 1 1 59 59 VAL H H 59 7.700 7.700 7.510 0.190 25446
666 1 2 . 1 1 60 60 GLU N N 60 122.777 122.777 123.070 -0.293 25446
667 1 2 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.498 -0.215 25446
668 1 2 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.448 0.870 25446
669 1 2 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.504 -1.627 25446
670 1 2 . 1 1 60 60 GLU H H 60 8.416 8.416 8.259 0.157 25446
671 1 2 . 1 1 61 61 LEU N N 61 124.910 124.910 124.200 0.710 25446
672 1 2 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.412 -0.055 25446
673 1 2 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.922 1.240 25446
674 1 2 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.615 -0.770 25446
675 1 2 . 1 1 61 61 LEU H H 61 8.249 8.249 8.415 -0.166 25446
676 1 2 . 1 1 62 62 SER N N 62 118.228 118.228 117.404 0.824 25446
677 1 2 . 1 1 62 62 SER HA H 62 4.816 4.816 4.935 -0.119 25446
678 1 2 . 1 1 62 62 SER CB C 62 63.963 63.963 65.013 -1.050 25446
679 1 2 . 1 1 62 62 SER H H 62 8.025 8.025 8.021 0.004 25446
680 1 2 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.484 -0.230 25446
681 1 2 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.411 -0.517 25446
682 1 2 . 1 1 64 64 GLU N N 64 116.457 116.457 117.190 -0.733 25446
683 1 2 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.125 -0.258 25446
684 1 2 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.225 -0.479 25446
685 1 2 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.108 -0.401 25446
686 1 2 . 1 1 64 64 GLU H H 64 8.310 8.310 9.060 -0.750 25446
687 1 2 . 1 1 65 65 HIS N N 65 114.998 114.998 119.293 -4.295 25446
688 1 2 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.198 0.099 25446
689 1 2 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.719 -1.354 25446
690 1 2 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.757 -0.150 25446
691 1 2 . 1 1 65 65 HIS H H 65 7.324 7.324 8.102 -0.778 25446
692 1 2 . 1 1 66 66 PHE N N 66 115.965 115.965 115.380 0.585 25446
693 1 2 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.639 0.143 25446
694 1 2 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.148 -2.482 25446
695 1 2 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.378 0.606 25446
696 1 2 . 1 1 66 66 PHE H H 66 7.245 7.245 7.560 -0.315 25446
697 1 2 . 1 1 67 67 ARG N N 67 112.179 112.179 120.330 -8.151 25446
698 1 2 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.043 0.041 25446
699 1 2 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.543 -0.252 25446
700 1 2 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.632 1.005 25446
701 1 2 . 1 1 67 67 ARG H H 67 6.632 6.632 7.457 -0.825 25446
702 1 2 . 1 1 68 68 SER N N 68 109.181 109.181 109.110 0.071 25446
703 1 2 . 1 1 68 68 SER HA H 68 4.985 4.985 4.703 0.282 25446
704 1 2 . 1 1 68 68 SER CA C 68 55.664 55.664 57.190 -1.526 25446
705 1 2 . 1 1 68 68 SER CB C 68 67.608 67.608 65.898 1.710 25446
706 1 2 . 1 1 68 68 SER H H 68 8.139 8.139 7.497 0.642 25446
707 1 2 . 1 1 69 69 ILE N N 69 122.526 122.526 124.690 -2.164 25446
708 1 2 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.692 -0.010 25446
709 1 2 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.488 1.250 25446
710 1 2 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.955 -0.967 25446
711 1 2 . 1 1 69 69 ILE H H 69 9.770 9.770 8.935 0.835 25446
712 1 2 . 1 1 70 70 ARG N N 70 118.671 118.671 120.083 -1.412 25446
713 1 2 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.025 -0.057 25446
714 1 2 . 1 1 70 70 ARG CA C 70 60.329 60.329 60.286 0.043 25446
715 1 2 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.234 1.066 25446
716 1 2 . 1 1 70 70 ARG H H 70 8.860 8.860 8.627 0.233 25446
717 1 2 . 1 1 71 71 SER N N 71 117.722 117.722 115.210 2.512 25446
718 1 2 . 1 1 71 71 SER HA H 71 4.346 4.346 4.176 0.170 25446
719 1 2 . 1 1 71 71 SER CB C 71 62.962 62.962 62.331 0.631 25446
720 1 2 . 1 1 71 71 SER H H 71 8.534 8.534 8.091 0.443 25446
721 1 2 . 1 1 72 72 ILE N N 72 127.380 127.380 122.567 4.813 25446
722 1 2 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.413 0.512 25446
723 1 2 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.758 1.987 25446
724 1 2 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.629 -0.268 25446
725 1 2 . 1 1 72 72 ILE H H 72 8.789 8.789 7.242 1.547 25446
726 1 2 . 1 1 73 73 ASP N N 73 121.443 121.443 120.899 0.544 25446
727 1 2 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.273 -0.261 25446
728 1 2 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.378 1.722 25446
729 1 2 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.614 3.066 25446
730 1 2 . 1 1 73 73 ASP H H 73 8.699 8.699 8.124 0.575 25446
731 1 2 . 1 1 74 74 ALA N N 74 118.799 118.799 121.729 -2.930 25446
732 1 2 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.075 -0.036 25446
733 1 2 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.023 0.212 25446
734 1 2 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.262 -0.313 25446
735 1 2 . 1 1 74 74 ALA H H 74 8.042 8.042 7.705 0.337 25446
736 1 2 . 1 1 75 75 PHE N N 75 121.125 121.125 119.713 1.412 25446
737 1 2 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.127 -0.082 25446
738 1 2 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.831 -0.880 25446
739 1 2 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.557 -0.686 25446
740 1 2 . 1 1 75 75 PHE H H 75 8.369 8.369 7.741 0.628 25446
741 1 2 . 1 1 76 76 VAL N N 76 120.715 120.715 119.585 1.130 25446
742 1 2 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.433 -0.483 25446
743 1 2 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.134 -0.305 25446
744 1 2 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.970 -0.743 25446
745 1 2 . 1 1 76 76 VAL H H 76 8.555 8.555 8.200 0.355 25446
746 1 2 . 1 1 77 77 VAL N N 77 121.286 121.286 118.924 2.362 25446
747 1 2 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.671 -0.178 25446
748 1 2 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.982 0.796 25446
749 1 2 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.684 0.182 25446
750 1 2 . 1 1 77 77 VAL H H 77 8.770 8.770 8.286 0.484 25446
751 1 2 . 1 1 78 78 GLY N N 78 106.349 106.349 105.447 0.902 25446
752 1 2 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.467 0.165 25446
753 1 2 . 1 1 78 78 GLY H H 78 7.976 7.976 7.979 -0.003 25446
754 1 2 . 1 1 79 79 ALA N N 79 120.998 120.998 122.865 -1.867 25446
755 1 2 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.445 -0.238 25446
756 1 2 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.833 -0.037 25446
757 1 2 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.174 -0.908 25446
758 1 2 . 1 1 79 79 ALA H H 79 7.647 7.647 7.441 0.206 25446
759 1 2 . 1 1 80 80 THR N N 80 107.402 107.402 108.772 -1.370 25446
760 1 2 . 1 1 80 80 THR HA H 80 4.454 4.454 4.379 0.075 25446
761 1 2 . 1 1 80 80 THR CA C 80 61.337 61.337 61.240 0.097 25446
762 1 2 . 1 1 80 80 THR CB C 80 70.703 70.703 70.883 -0.180 25446
763 1 2 . 1 1 80 80 THR H H 80 7.469 7.469 8.070 -0.601 25446
764 1 2 . 1 1 81 81 THR N N 81 119.746 119.746 116.678 3.068 25446
765 1 2 . 1 1 81 81 THR HA H 81 4.668 4.668 4.665 0.003 25446
766 1 2 . 1 1 81 81 THR CA C 81 60.448 60.448 58.934 1.514 25446
767 1 2 . 1 1 81 81 THR CB C 81 70.062 70.062 69.293 0.769 25446
768 1 2 . 1 1 81 81 THR H H 81 7.684 7.684 8.389 -0.705 25446
769 1 2 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.982 -0.283 25446
770 1 2 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.121 0.489 25446
771 1 2 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.666 -0.662 25446
772 1 2 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.507 -0.034 25446
773 1 2 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.497 0.314 25446
774 1 2 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.667 -0.586 25446
775 1 2 . 1 1 84 84 VAL N N 84 120.611 120.611 122.803 -2.192 25446
776 1 2 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.280 -0.233 25446
777 1 2 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.425 1.887 25446
778 1 2 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.857 -1.985 25446
779 1 2 . 1 1 84 84 VAL H H 84 8.240 8.240 8.281 -0.041 25446
780 1 2 . 1 1 85 85 GLU N N 85 125.076 125.076 125.181 -0.105 25446
781 1 2 . 1 1 85 85 GLU H H 85 8.434 8.434 8.711 -0.277 25446
782 1 2 . 1 1 86 86 ALA N N 86 126.280 126.280 118.912 7.368 25446
783 1 2 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.860 1.428 25446
784 1 2 . 1 1 86 86 ALA H H 86 8.340 8.340 7.512 0.828 25446
785 1 2 . 1 1 87 87 LYS N N 87 121.709 121.709 121.234 0.475 25446
786 1 2 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.348 0.856 25446
787 1 2 . 1 1 87 87 LYS H H 87 8.334 8.334 8.251 0.083 25446
788 1 2 . 1 1 88 88 LEU N N 88 125.379 125.379 124.790 0.589 25446
789 1 2 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.283 -4.283 25446
790 1 2 . 1 1 88 88 LEU H H 88 8.435 8.435 7.969 0.466 25446
791 1 3 . 1 1 2 2 GLN N N 2 123.771 123.771 118.586 5.185 25446
792 1 3 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.094 0.036 25446
793 1 3 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.550 -1.001 25446
794 1 3 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.342 0.820 25446
795 1 3 . 1 1 2 2 GLN H H 2 9.634 9.634 8.572 1.062 25446
796 1 3 . 1 1 3 3 HIS N N 3 119.013 119.013 112.413 6.600 25446
797 1 3 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.661 0.523 25446
798 1 3 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.787 -0.784 25446
799 1 3 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.306 1.782 25446
800 1 3 . 1 1 3 3 HIS H H 3 9.946 9.946 8.358 1.588 25446
801 1 3 . 1 1 4 4 ALA N N 4 122.550 122.550 123.528 -0.978 25446
802 1 3 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.119 -0.228 25446
803 1 3 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.853 1.707 25446
804 1 3 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.431 0.360 25446
805 1 3 . 1 1 4 4 ALA H H 4 7.524 7.524 8.335 -0.811 25446
806 1 3 . 1 1 5 5 SER N N 5 112.310 112.310 113.856 -1.546 25446
807 1 3 . 1 1 5 5 SER HA H 5 4.295 4.295 4.179 0.116 25446
808 1 3 . 1 1 5 5 SER CA C 5 62.089 62.089 61.527 0.562 25446
809 1 3 . 1 1 5 5 SER CB C 5 62.421 62.421 62.687 -0.266 25446
810 1 3 . 1 1 5 5 SER H H 5 8.772 8.772 8.210 0.562 25446
811 1 3 . 1 1 6 6 VAL N N 6 122.625 122.625 120.967 1.658 25446
812 1 3 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.732 0.379 25446
813 1 3 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.038 -0.330 25446
814 1 3 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.526 1.214 25446
815 1 3 . 1 1 6 6 VAL H H 6 7.657 7.657 7.249 0.408 25446
816 1 3 . 1 1 7 7 ILE N N 7 121.536 121.536 120.770 0.766 25446
817 1 3 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.634 0.592 25446
818 1 3 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.051 -0.758 25446
819 1 3 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.282 1.349 25446
820 1 3 . 1 1 7 7 ILE H H 7 8.526 8.526 7.507 1.019 25446
821 1 3 . 1 1 8 8 ALA N N 8 121.229 121.229 121.404 -0.175 25446
822 1 3 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.000 -0.104 25446
823 1 3 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.464 0.778 25446
824 1 3 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.022 0.709 25446
825 1 3 . 1 1 8 8 ALA H H 8 8.946 8.946 8.051 0.895 25446
826 1 3 . 1 1 9 9 GLN N N 9 114.998 114.998 119.372 -4.374 25446
827 1 3 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.044 -0.171 25446
828 1 3 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.083 -0.124 25446
829 1 3 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.826 -1.013 25446
830 1 3 . 1 1 9 9 GLN H H 9 7.731 7.731 8.278 -0.547 25446
831 1 3 . 1 1 10 10 PHE N N 10 120.075 120.075 120.392 -0.317 25446
832 1 3 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.146 -0.068 25446
833 1 3 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.601 -0.748 25446
834 1 3 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.275 -0.452 25446
835 1 3 . 1 1 10 10 PHE H H 10 7.299 7.299 8.756 -1.457 25446
836 1 3 . 1 1 11 11 VAL N N 11 117.458 117.458 116.433 1.025 25446
837 1 3 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.703 -0.396 25446
838 1 3 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.884 0.560 25446
839 1 3 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.700 -0.012 25446
840 1 3 . 1 1 11 11 VAL H H 11 8.363 8.363 8.184 0.179 25446
841 1 3 . 1 1 12 12 VAL N N 12 117.722 117.722 120.646 -2.924 25446
842 1 3 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.781 -0.034 25446
843 1 3 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.142 -1.223 25446
844 1 3 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.935 0.332 25446
845 1 3 . 1 1 12 12 VAL H H 12 8.289 8.289 8.466 -0.177 25446
846 1 3 . 1 1 13 13 GLU N N 13 117.827 117.827 117.922 -0.095 25446
847 1 3 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.960 -0.218 25446
848 1 3 . 1 1 13 13 GLU CA C 13 59.193 59.193 58.767 0.425 25446
849 1 3 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.359 0.135 25446
850 1 3 . 1 1 13 13 GLU H H 13 7.758 7.758 7.737 0.021 25446
851 1 3 . 1 1 14 14 GLU N N 14 113.425 113.425 117.193 -3.768 25446
852 1 3 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.771 0.001 25446
853 1 3 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.016 -1.409 25446
854 1 3 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.100 0.399 25446
855 1 3 . 1 1 14 14 GLU H H 14 7.604 7.604 7.358 0.246 25446
856 1 3 . 1 1 15 15 PHE N N 15 114.097 114.097 116.344 -2.247 25446
857 1 3 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.562 0.379 25446
858 1 3 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.200 -1.207 25446
859 1 3 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.367 1.625 25446
860 1 3 . 1 1 15 15 PHE H H 15 7.916 7.916 7.005 0.911 25446
861 1 3 . 1 1 16 16 LEU N N 16 121.405 121.405 119.909 1.496 25446
862 1 3 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.831 0.136 25446
863 1 3 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.239 0.078 25446
864 1 3 . 1 1 16 16 LEU CB C 16 44.735 44.735 44.308 0.427 25446
865 1 3 . 1 1 16 16 LEU H H 16 8.046 8.046 8.408 -0.362 25446
866 1 3 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.550 -0.176 25446
867 1 3 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.402 1.263 25446
868 1 3 . 1 1 18 18 ASP N N 18 116.413 116.413 118.155 -1.742 25446
869 1 3 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.596 -0.012 25446
870 1 3 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.535 0.055 25446
871 1 3 . 1 1 18 18 ASP H H 18 8.415 8.415 8.665 -0.250 25446
872 1 3 . 1 1 19 19 VAL N N 19 122.077 122.077 119.911 2.166 25446
873 1 3 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.154 -0.041 25446
874 1 3 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.855 0.492 25446
875 1 3 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.556 -1.169 25446
876 1 3 . 1 1 19 19 VAL H H 19 7.771 7.771 7.184 0.587 25446
877 1 3 . 1 1 20 20 ALA N N 20 129.197 129.197 128.645 0.552 25446
878 1 3 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.375 0.213 25446
879 1 3 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.812 -0.584 25446
880 1 3 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.048 -0.625 25446
881 1 3 . 1 1 20 20 ALA H H 20 8.765 8.765 8.534 0.231 25446
882 1 3 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.218 -0.144 25446
883 1 3 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.108 1.033 25446
884 1 3 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.953 -0.615 25446
885 1 3 . 1 1 22 22 ALA N N 22 115.949 115.949 118.389 -2.440 25446
886 1 3 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.196 -0.079 25446
887 1 3 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.807 -0.024 25446
888 1 3 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.287 0.465 25446
889 1 3 . 1 1 22 22 ALA H H 22 8.074 8.074 7.985 0.089 25446
890 1 3 . 1 1 23 23 ASP N N 23 115.451 115.451 117.594 -2.143 25446
891 1 3 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.733 -0.081 25446
892 1 3 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.226 0.218 25446
893 1 3 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.022 0.118 25446
894 1 3 . 1 1 23 23 ASP H H 23 8.023 8.023 7.750 0.273 25446
895 1 3 . 1 1 24 24 VAL N N 24 121.382 121.382 120.645 0.737 25446
896 1 3 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.088 -0.260 25446
897 1 3 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.417 0.894 25446
898 1 3 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.916 -1.052 25446
899 1 3 . 1 1 24 24 VAL H H 24 7.072 7.072 7.299 -0.227 25446
900 1 3 . 1 1 25 25 ASP N N 25 129.258 129.258 126.690 2.568 25446
901 1 3 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.594 -0.022 25446
902 1 3 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.935 0.535 25446
903 1 3 . 1 1 25 25 ASP H H 25 8.499 8.499 8.821 -0.322 25446
904 1 3 . 1 1 26 26 VAL N N 26 121.736 121.736 118.966 2.770 25446
905 1 3 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.930 0.178 25446
906 1 3 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.810 0.665 25446
907 1 3 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.250 -0.033 25446
908 1 3 . 1 1 26 26 VAL H H 26 8.566 8.566 8.132 0.434 25446
909 1 3 . 1 1 27 27 ASP N N 27 116.233 116.233 118.656 -2.423 25446
910 1 3 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.770 0.384 25446
911 1 3 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.364 -0.241 25446
912 1 3 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.173 1.419 25446
913 1 3 . 1 1 27 27 ASP H H 27 8.638 8.638 7.763 0.875 25446
914 1 3 . 1 1 28 28 LEU N N 28 125.046 125.046 122.115 2.931 25446
915 1 3 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.445 -0.419 25446
916 1 3 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.534 1.333 25446
917 1 3 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.931 -0.523 25446
918 1 3 . 1 1 28 28 LEU H H 28 7.389 7.389 7.612 -0.223 25446
919 1 3 . 1 1 29 29 ASP N N 29 125.807 125.807 124.625 1.182 25446
920 1 3 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.640 0.191 25446
921 1 3 . 1 1 29 29 ASP H H 29 8.731 8.731 8.534 0.197 25446
922 1 3 . 1 1 30 30 LEU N N 30 130.007 130.007 121.184 8.823 25446
923 1 3 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.370 -0.472 25446
924 1 3 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.258 0.161 25446
925 1 3 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.501 0.622 25446
926 1 3 . 1 1 30 30 LEU H H 30 9.744 9.744 8.399 1.345 25446
927 1 3 . 1 1 31 31 VAL N N 31 121.093 121.093 122.363 -1.270 25446
928 1 3 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.643 0.583 25446
929 1 3 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.889 -1.498 25446
930 1 3 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.325 0.856 25446
931 1 3 . 1 1 31 31 VAL H H 31 8.166 8.166 7.870 0.296 25446
932 1 3 . 1 1 32 32 ASP N N 32 124.657 124.657 119.500 5.157 25446
933 1 3 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.381 -0.017 25446
934 1 3 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.982 0.137 25446
935 1 3 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.144 0.616 25446
936 1 3 . 1 1 32 32 ASP H H 32 9.365 9.365 8.002 1.363 25446
937 1 3 . 1 1 33 33 ASN N N 33 111.260 111.260 117.890 -6.630 25446
938 1 3 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.632 0.108 25446
939 1 3 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.970 0.842 25446
940 1 3 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.037 1.069 25446
941 1 3 . 1 1 33 33 ASN H H 33 7.423 7.423 7.972 -0.549 25446
942 1 3 . 1 1 34 34 GLY N N 34 106.935 106.935 109.739 -2.804 25446
943 1 3 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.076 -0.452 25446
944 1 3 . 1 1 34 34 GLY H H 34 7.648 7.648 8.529 -0.881 25446
945 1 3 . 1 1 35 35 VAL N N 35 120.307 120.307 122.911 -2.604 25446
946 1 3 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.581 0.199 25446
947 1 3 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.550 0.475 25446
948 1 3 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.371 0.418 25446
949 1 3 . 1 1 35 35 VAL H H 35 7.838 7.838 7.404 0.434 25446
950 1 3 . 1 1 36 36 ILE N N 36 116.154 116.154 119.670 -3.516 25446
951 1 3 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.773 -0.014 25446
952 1 3 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.872 -3.296 25446
953 1 3 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.697 1.528 25446
954 1 3 . 1 1 36 36 ILE H H 36 7.337 7.337 8.544 -1.207 25446
955 1 3 . 1 1 37 37 ASP N N 37 126.730 126.730 120.226 6.504 25446
956 1 3 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.713 1.016 25446
957 1 3 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.655 -5.018 25446
958 1 3 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.060 1.191 25446
959 1 3 . 1 1 37 37 ASP H H 37 7.921 7.921 8.143 -0.222 25446
960 1 3 . 1 1 38 38 SER N N 38 113.176 113.176 113.861 -0.685 25446
961 1 3 . 1 1 38 38 SER HA H 38 4.122 4.122 4.541 -0.419 25446
962 1 3 . 1 1 38 38 SER CA C 38 61.062 61.062 59.893 1.169 25446
963 1 3 . 1 1 39 39 LEU N N 39 122.521 122.521 122.576 -0.055 25446
964 1 3 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.218 0.055 25446
965 1 3 . 1 1 39 39 LEU CA C 39 57.370 57.370 57.738 -0.368 25446
966 1 3 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.265 -0.006 25446
967 1 3 . 1 1 39 39 LEU H H 39 7.675 7.675 7.774 -0.099 25446
968 1 3 . 1 1 40 40 GLY N N 40 111.971 111.971 106.903 5.068 25446
969 1 3 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.017 1.103 25446
970 1 3 . 1 1 40 40 GLY H H 40 8.776 8.776 7.669 1.107 25446
971 1 3 . 1 1 41 41 LEU N N 41 122.579 122.579 123.467 -0.888 25446
972 1 3 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.140 -0.295 25446
973 1 3 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.857 0.408 25446
974 1 3 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.062 -0.483 25446
975 1 3 . 1 1 41 41 LEU H H 41 8.551 8.551 8.467 0.084 25446
976 1 3 . 1 1 42 42 LEU N N 42 116.126 116.126 119.153 -3.027 25446
977 1 3 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.983 0.026 25446
978 1 3 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.374 -0.273 25446
979 1 3 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.773 -0.826 25446
980 1 3 . 1 1 42 42 LEU H H 42 7.213 7.213 7.786 -0.573 25446
981 1 3 . 1 1 43 43 LYS N N 43 119.793 119.793 119.479 0.314 25446
982 1 3 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.057 0.225 25446
983 1 3 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.840 -0.270 25446
984 1 3 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.263 0.274 25446
985 1 3 . 1 1 43 43 LYS H H 43 7.664 7.664 7.526 0.138 25446
986 1 3 . 1 1 44 44 VAL N N 44 121.147 121.147 120.447 0.700 25446
987 1 3 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.097 -0.160 25446
988 1 3 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.917 -0.099 25446
989 1 3 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.333 0.226 25446
990 1 3 . 1 1 44 44 VAL H H 44 8.278 8.278 8.526 -0.248 25446
991 1 3 . 1 1 45 45 ILE N N 45 119.222 119.222 120.993 -1.771 25446
992 1 3 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.779 -0.374 25446
993 1 3 . 1 1 45 45 ILE CA C 45 66.061 66.061 65.149 0.912 25446
994 1 3 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.295 0.943 25446
995 1 3 . 1 1 45 45 ILE H H 45 8.127 8.127 7.734 0.393 25446
996 1 3 . 1 1 46 46 ALA N N 46 121.011 121.011 122.995 -1.984 25446
997 1 3 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.146 0.086 25446
998 1 3 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.033 -0.073 25446
999 1 3 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.573 -0.233 25446
1000 1 3 . 1 1 46 46 ALA H H 46 7.811 7.811 7.704 0.107 25446
1001 1 3 . 1 1 47 47 TRP N N 47 121.158 121.158 121.536 -0.378 25446
1002 1 3 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.426 -0.191 25446
1003 1 3 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.686 1.148 25446
1004 1 3 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.669 -1.449 25446
1005 1 3 . 1 1 47 47 TRP H H 47 8.094 8.094 8.688 -0.594 25446
1006 1 3 . 1 1 48 48 LEU N N 48 118.890 118.890 121.511 -2.621 25446
1007 1 3 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.999 0.574 25446
1008 1 3 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.728 -0.536 25446
1009 1 3 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.698 0.556 25446
1010 1 3 . 1 1 48 48 LEU H H 48 8.704 8.704 9.094 -0.390 25446
1011 1 3 . 1 1 49 49 GLU N N 49 118.917 118.917 119.025 -0.108 25446
1012 1 3 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.127 -0.081 25446
1013 1 3 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.247 0.461 25446
1014 1 3 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.432 0.184 25446
1015 1 3 . 1 1 49 49 GLU H H 49 7.808 7.808 8.132 -0.324 25446
1016 1 3 . 1 1 50 50 ASP N N 50 119.614 119.614 118.790 0.824 25446
1017 1 3 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.387 -0.147 25446
1018 1 3 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.652 0.357 25446
1019 1 3 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.681 1.696 25446
1020 1 3 . 1 1 50 50 ASP H H 50 7.677 7.677 7.827 -0.150 25446
1021 1 3 . 1 1 51 51 ARG N N 51 116.918 116.918 117.914 -0.996 25446
1022 1 3 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.006 -0.281 25446
1023 1 3 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.050 -1.762 25446
1024 1 3 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.587 -1.303 25446
1025 1 3 . 1 1 51 51 ARG H H 51 8.876 8.876 7.673 1.203 25446
1026 1 3 . 1 1 52 52 PHE N N 52 112.278 112.278 114.681 -2.403 25446
1027 1 3 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.541 0.116 25446
1028 1 3 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.374 -1.324 25446
1029 1 3 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.452 1.300 25446
1030 1 3 . 1 1 52 52 PHE H H 52 7.330 7.330 7.860 -0.530 25446
1031 1 3 . 1 1 53 53 GLY N N 53 109.717 109.717 108.779 0.938 25446
1032 1 3 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.618 1.028 25446
1033 1 3 . 1 1 53 53 GLY H H 53 7.411 7.411 7.947 -0.536 25446
1034 1 3 . 1 1 54 54 ILE N N 54 119.148 119.148 120.767 -1.619 25446
1035 1 3 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.160 -0.217 25446
1036 1 3 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.128 0.472 25446
1037 1 3 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.414 0.095 25446
1038 1 3 . 1 1 54 54 ILE H H 54 6.901 6.901 7.210 -0.309 25446
1039 1 3 . 1 1 55 55 ALA N N 55 129.774 129.774 128.418 1.356 25446
1040 1 3 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.243 0.159 25446
1041 1 3 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.815 -1.167 25446
1042 1 3 . 1 1 55 55 ALA H H 55 8.538 8.538 8.404 0.134 25446
1043 1 3 . 1 1 56 56 ALA N N 56 126.034 126.034 123.630 2.404 25446
1044 1 3 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.145 0.128 25446
1045 1 3 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.393 0.219 25446
1046 1 3 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.005 0.117 25446
1047 1 3 . 1 1 56 56 ALA H H 56 8.620 8.620 8.448 0.172 25446
1048 1 3 . 1 1 57 57 ASP N N 57 115.649 115.649 116.725 -1.076 25446
1049 1 3 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.527 -0.051 25446
1050 1 3 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.845 0.325 25446
1051 1 3 . 1 1 57 57 ASP H H 57 8.321 8.321 8.277 0.044 25446
1052 1 3 . 1 1 58 58 ASP N N 58 118.298 118.298 118.766 -0.468 25446
1053 1 3 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.389 0.279 25446
1054 1 3 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.389 -0.587 25446
1055 1 3 . 1 1 58 58 ASP H H 58 7.971 7.971 8.451 -0.480 25446
1056 1 3 . 1 1 59 59 VAL N N 59 118.443 118.443 121.680 -3.237 25446
1057 1 3 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.366 -0.157 25446
1058 1 3 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.420 1.650 25446
1059 1 3 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.689 -1.359 25446
1060 1 3 . 1 1 59 59 VAL H H 59 7.700 7.700 8.116 -0.416 25446
1061 1 3 . 1 1 60 60 GLU N N 60 122.777 122.777 126.372 -3.595 25446
1062 1 3 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.476 -0.193 25446
1063 1 3 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.007 0.311 25446
1064 1 3 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.303 -0.426 25446
1065 1 3 . 1 1 60 60 GLU H H 60 8.416 8.416 8.468 -0.052 25446
1066 1 3 . 1 1 61 61 LEU N N 61 124.910 124.910 125.385 -0.475 25446
1067 1 3 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.625 -0.268 25446
1068 1 3 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.925 1.237 25446
1069 1 3 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.689 -1.844 25446
1070 1 3 . 1 1 61 61 LEU H H 61 8.249 8.249 8.587 -0.338 25446
1071 1 3 . 1 1 62 62 SER N N 62 118.228 118.228 117.872 0.356 25446
1072 1 3 . 1 1 62 62 SER HA H 62 4.816 4.816 4.888 -0.072 25446
1073 1 3 . 1 1 62 62 SER CB C 62 63.963 63.963 64.267 -0.305 25446
1074 1 3 . 1 1 62 62 SER H H 62 8.025 8.025 8.279 -0.254 25446
1075 1 3 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.546 -0.292 25446
1076 1 3 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.238 -0.344 25446
1077 1 3 . 1 1 64 64 GLU N N 64 116.457 116.457 118.086 -1.629 25446
1078 1 3 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.134 -0.267 25446
1079 1 3 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.284 -0.538 25446
1080 1 3 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.023 -0.316 25446
1081 1 3 . 1 1 64 64 GLU H H 64 8.310 8.310 9.049 -0.739 25446
1082 1 3 . 1 1 65 65 HIS N N 65 114.998 114.998 119.387 -4.389 25446
1083 1 3 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.280 0.017 25446
1084 1 3 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.581 -1.216 25446
1085 1 3 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.815 -0.208 25446
1086 1 3 . 1 1 65 65 HIS H H 65 7.324 7.324 7.795 -0.471 25446
1087 1 3 . 1 1 66 66 PHE N N 66 115.965 115.965 114.990 0.975 25446
1088 1 3 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.519 0.263 25446
1089 1 3 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.234 -2.568 25446
1090 1 3 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.532 0.452 25446
1091 1 3 . 1 1 66 66 PHE H H 66 7.245 7.245 7.580 -0.335 25446
1092 1 3 . 1 1 67 67 ARG N N 67 112.179 112.179 119.823 -7.644 25446
1093 1 3 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.996 0.088 25446
1094 1 3 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.139 0.152 25446
1095 1 3 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.859 0.778 25446
1096 1 3 . 1 1 67 67 ARG H H 67 6.632 6.632 7.634 -1.002 25446
1097 1 3 . 1 1 68 68 SER N N 68 109.181 109.181 108.274 0.907 25446
1098 1 3 . 1 1 68 68 SER HA H 68 4.985 4.985 4.687 0.298 25446
1099 1 3 . 1 1 68 68 SER CA C 68 55.664 55.664 56.155 -0.491 25446
1100 1 3 . 1 1 68 68 SER CB C 68 67.608 67.608 66.376 1.232 25446
1101 1 3 . 1 1 68 68 SER H H 68 8.139 8.139 7.368 0.771 25446
1102 1 3 . 1 1 69 69 ILE N N 69 122.526 122.526 123.387 -0.861 25446
1103 1 3 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.765 -0.083 25446
1104 1 3 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.373 2.365 25446
1105 1 3 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.727 -0.739 25446
1106 1 3 . 1 1 69 69 ILE H H 69 9.770 9.770 8.818 0.952 25446
1107 1 3 . 1 1 70 70 ARG N N 70 118.671 118.671 120.233 -1.562 25446
1108 1 3 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.117 -0.149 25446
1109 1 3 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.551 0.778 25446
1110 1 3 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.712 0.588 25446
1111 1 3 . 1 1 70 70 ARG H H 70 8.860 8.860 8.275 0.585 25446
1112 1 3 . 1 1 71 71 SER N N 71 117.722 117.722 114.234 3.488 25446
1113 1 3 . 1 1 71 71 SER HA H 71 4.346 4.346 4.106 0.240 25446
1114 1 3 . 1 1 71 71 SER CB C 71 62.962 62.962 62.678 0.284 25446
1115 1 3 . 1 1 71 71 SER H H 71 8.534 8.534 7.432 1.102 25446
1116 1 3 . 1 1 72 72 ILE N N 72 127.380 127.380 121.589 5.791 25446
1117 1 3 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.549 0.376 25446
1118 1 3 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.105 1.640 25446
1119 1 3 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.666 -0.305 25446
1120 1 3 . 1 1 72 72 ILE H H 72 8.789 8.789 7.112 1.677 25446
1121 1 3 . 1 1 73 73 ASP N N 73 121.443 121.443 120.393 1.050 25446
1122 1 3 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.338 -0.326 25446
1123 1 3 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.696 1.404 25446
1124 1 3 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.895 3.785 25446
1125 1 3 . 1 1 73 73 ASP H H 73 8.699 8.699 8.134 0.565 25446
1126 1 3 . 1 1 74 74 ALA N N 74 118.799 118.799 122.332 -3.533 25446
1127 1 3 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.078 -0.039 25446
1128 1 3 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.418 -0.183 25446
1129 1 3 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.328 -0.379 25446
1130 1 3 . 1 1 74 74 ALA H H 74 8.042 8.042 7.726 0.316 25446
1131 1 3 . 1 1 75 75 PHE N N 75 121.125 121.125 119.531 1.594 25446
1132 1 3 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.228 -0.183 25446
1133 1 3 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.336 -0.385 25446
1134 1 3 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.343 -0.472 25446
1135 1 3 . 1 1 75 75 PHE H H 75 8.369 8.369 7.568 0.801 25446
1136 1 3 . 1 1 76 76 VAL N N 76 120.715 120.715 119.423 1.292 25446
1137 1 3 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.611 -0.661 25446
1138 1 3 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.877 -0.048 25446
1139 1 3 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.494 -0.268 25446
1140 1 3 . 1 1 76 76 VAL H H 76 8.555 8.555 8.244 0.311 25446
1141 1 3 . 1 1 77 77 VAL N N 77 121.286 121.286 119.441 1.845 25446
1142 1 3 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.866 -0.373 25446
1143 1 3 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.757 1.021 25446
1144 1 3 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.726 0.140 25446
1145 1 3 . 1 1 77 77 VAL H H 77 8.770 8.770 8.509 0.261 25446
1146 1 3 . 1 1 78 78 GLY N N 78 106.349 106.349 105.562 0.787 25446
1147 1 3 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.424 0.208 25446
1148 1 3 . 1 1 78 78 GLY H H 78 7.976 7.976 7.844 0.132 25446
1149 1 3 . 1 1 79 79 ALA N N 79 120.998 120.998 122.646 -1.648 25446
1150 1 3 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.394 -0.187 25446
1151 1 3 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.619 0.177 25446
1152 1 3 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.243 -0.977 25446
1153 1 3 . 1 1 79 79 ALA H H 79 7.647 7.647 7.221 0.426 25446
1154 1 3 . 1 1 80 80 THR N N 80 107.402 107.402 115.184 -7.782 25446
1155 1 3 . 1 1 80 80 THR HA H 80 4.454 4.454 4.383 0.071 25446
1156 1 3 . 1 1 80 80 THR CA C 80 61.337 61.337 61.843 -0.506 25446
1157 1 3 . 1 1 80 80 THR CB C 80 70.703 70.703 70.899 -0.196 25446
1158 1 3 . 1 1 80 80 THR H H 80 7.469 7.469 8.173 -0.704 25446
1159 1 3 . 1 1 81 81 THR N N 81 119.746 119.746 120.531 -0.785 25446
1160 1 3 . 1 1 81 81 THR HA H 81 4.668 4.668 4.804 -0.136 25446
1161 1 3 . 1 1 81 81 THR CA C 81 60.448 60.448 57.930 2.518 25446
1162 1 3 . 1 1 81 81 THR CB C 81 70.062 70.062 69.499 0.563 25446
1163 1 3 . 1 1 81 81 THR H H 81 7.684 7.684 8.316 -0.632 25446
1164 1 3 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.468 0.231 25446
1165 1 3 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.893 -0.283 25446
1166 1 3 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.387 0.617 25446
1167 1 3 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.423 0.050 25446
1168 1 3 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.978 -0.167 25446
1169 1 3 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.209 -0.128 25446
1170 1 3 . 1 1 84 84 VAL N N 84 120.611 120.611 120.490 0.121 25446
1171 1 3 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.584 -0.537 25446
1172 1 3 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.421 -0.108 25446
1173 1 3 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.879 -0.007 25446
1174 1 3 . 1 1 84 84 VAL H H 84 8.240 8.240 8.466 -0.226 25446
1175 1 3 . 1 1 85 85 GLU N N 85 125.076 125.076 127.559 -2.483 25446
1176 1 3 . 1 1 85 85 GLU H H 85 8.434 8.434 8.586 -0.152 25446
1177 1 3 . 1 1 86 86 ALA N N 86 126.280 126.280 123.790 2.490 25446
1178 1 3 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.727 -0.439 25446
1179 1 3 . 1 1 86 86 ALA H H 86 8.340 8.340 8.438 -0.098 25446
1180 1 3 . 1 1 87 87 LYS N N 87 121.709 121.709 122.641 -0.932 25446
1181 1 3 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.343 0.861 25446
1182 1 3 . 1 1 87 87 LYS H H 87 8.334 8.334 8.681 -0.347 25446
1183 1 3 . 1 1 88 88 LEU N N 88 125.379 125.379 116.025 9.354 25446
1184 1 3 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.126 -4.126 25446
1185 1 3 . 1 1 88 88 LEU H H 88 8.435 8.435 7.866 0.569 25446
1186 1 4 . 1 1 2 2 GLN N N 2 123.771 123.771 118.550 5.221 25446
1187 1 4 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.989 0.141 25446
1188 1 4 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.570 -1.021 25446
1189 1 4 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.947 1.215 25446
1190 1 4 . 1 1 2 2 GLN H H 2 9.634 9.634 8.198 1.436 25446
1191 1 4 . 1 1 3 3 HIS N N 3 119.013 119.013 113.716 5.297 25446
1192 1 4 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.815 0.369 25446
1193 1 4 . 1 1 3 3 HIS CA C 3 55.003 55.003 54.634 0.369 25446
1194 1 4 . 1 1 3 3 HIS CB C 3 31.088 31.088 30.317 0.771 25446
1195 1 4 . 1 1 3 3 HIS H H 3 9.946 9.946 8.654 1.292 25446
1196 1 4 . 1 1 4 4 ALA N N 4 122.550 122.550 124.007 -1.457 25446
1197 1 4 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.076 -0.185 25446
1198 1 4 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.694 0.867 25446
1199 1 4 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.339 0.453 25446
1200 1 4 . 1 1 4 4 ALA H H 4 7.524 7.524 8.010 -0.486 25446
1201 1 4 . 1 1 5 5 SER N N 5 112.310 112.310 114.521 -2.211 25446
1202 1 4 . 1 1 5 5 SER HA H 5 4.295 4.295 4.087 0.208 25446
1203 1 4 . 1 1 5 5 SER CA C 5 62.089 62.089 61.849 0.240 25446
1204 1 4 . 1 1 5 5 SER CB C 5 62.421 62.421 62.748 -0.327 25446
1205 1 4 . 1 1 5 5 SER H H 5 8.772 8.772 8.488 0.284 25446
1206 1 4 . 1 1 6 6 VAL N N 6 122.625 122.625 122.911 -0.286 25446
1207 1 4 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.763 0.348 25446
1208 1 4 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.302 -0.594 25446
1209 1 4 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.717 1.023 25446
1210 1 4 . 1 1 6 6 VAL H H 6 7.657 7.657 7.437 0.220 25446
1211 1 4 . 1 1 7 7 ILE N N 7 121.536 121.536 120.382 1.154 25446
1212 1 4 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.660 0.566 25446
1213 1 4 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.733 -0.440 25446
1214 1 4 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.459 1.172 25446
1215 1 4 . 1 1 7 7 ILE H H 7 8.526 8.526 7.826 0.700 25446
1216 1 4 . 1 1 8 8 ALA N N 8 121.229 121.229 121.597 -0.368 25446
1217 1 4 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.056 -0.160 25446
1218 1 4 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.576 0.666 25446
1219 1 4 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.239 0.492 25446
1220 1 4 . 1 1 8 8 ALA H H 8 8.946 8.946 8.672 0.274 25446
1221 1 4 . 1 1 9 9 GLN N N 9 114.998 114.998 119.384 -4.386 25446
1222 1 4 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.133 -0.260 25446
1223 1 4 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.424 0.535 25446
1224 1 4 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.276 -0.463 25446
1225 1 4 . 1 1 9 9 GLN H H 9 7.731 7.731 8.629 -0.898 25446
1226 1 4 . 1 1 10 10 PHE N N 10 120.075 120.075 122.313 -2.238 25446
1227 1 4 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.220 -0.142 25446
1228 1 4 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.596 -0.743 25446
1229 1 4 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.464 -0.641 25446
1230 1 4 . 1 1 10 10 PHE H H 10 7.299 7.299 8.816 -1.517 25446
1231 1 4 . 1 1 11 11 VAL N N 11 117.458 117.458 119.704 -2.246 25446
1232 1 4 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.890 -0.583 25446
1233 1 4 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.175 1.269 25446
1234 1 4 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.931 -0.243 25446
1235 1 4 . 1 1 11 11 VAL H H 11 8.363 8.363 8.145 0.218 25446
1236 1 4 . 1 1 12 12 VAL N N 12 117.722 117.722 120.055 -2.333 25446
1237 1 4 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.789 -0.042 25446
1238 1 4 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.086 -1.167 25446
1239 1 4 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.175 0.092 25446
1240 1 4 . 1 1 12 12 VAL H H 12 8.289 8.289 8.422 -0.133 25446
1241 1 4 . 1 1 13 13 GLU N N 13 117.827 117.827 119.678 -1.851 25446
1242 1 4 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.948 -0.206 25446
1243 1 4 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.246 -0.053 25446
1244 1 4 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.248 0.246 25446
1245 1 4 . 1 1 13 13 GLU H H 13 7.758 7.758 8.142 -0.384 25446
1246 1 4 . 1 1 14 14 GLU N N 14 113.425 113.425 117.882 -4.457 25446
1247 1 4 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.852 -0.080 25446
1248 1 4 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.161 -1.554 25446
1249 1 4 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.567 -0.068 25446
1250 1 4 . 1 1 14 14 GLU H H 14 7.604 7.604 7.663 -0.059 25446
1251 1 4 . 1 1 15 15 PHE N N 15 114.097 114.097 115.253 -1.156 25446
1252 1 4 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.537 0.404 25446
1253 1 4 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.665 -1.672 25446
1254 1 4 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.492 1.500 25446
1255 1 4 . 1 1 15 15 PHE H H 15 7.916 7.916 7.447 0.469 25446
1256 1 4 . 1 1 16 16 LEU N N 16 121.405 121.405 120.913 0.492 25446
1257 1 4 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.778 0.189 25446
1258 1 4 . 1 1 16 16 LEU CA C 16 52.317 52.317 51.785 0.532 25446
1259 1 4 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.706 1.029 25446
1260 1 4 . 1 1 16 16 LEU H H 16 8.046 8.046 8.205 -0.159 25446
1261 1 4 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.533 -0.159 25446
1262 1 4 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.225 1.440 25446
1263 1 4 . 1 1 18 18 ASP N N 18 116.413 116.413 118.595 -2.182 25446
1264 1 4 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.602 -0.018 25446
1265 1 4 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.507 0.083 25446
1266 1 4 . 1 1 18 18 ASP H H 18 8.415 8.415 8.753 -0.338 25446
1267 1 4 . 1 1 19 19 VAL N N 19 122.077 122.077 119.309 2.768 25446
1268 1 4 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.154 -0.041 25446
1269 1 4 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.005 0.342 25446
1270 1 4 . 1 1 19 19 VAL CB C 19 33.387 33.387 35.136 -1.749 25446
1271 1 4 . 1 1 19 19 VAL H H 19 7.771 7.771 7.099 0.672 25446
1272 1 4 . 1 1 20 20 ALA N N 20 129.197 129.197 128.095 1.102 25446
1273 1 4 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.378 0.210 25446
1274 1 4 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.883 -0.654 25446
1275 1 4 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.151 -0.728 25446
1276 1 4 . 1 1 20 20 ALA H H 20 8.765 8.765 8.446 0.319 25446
1277 1 4 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.255 -0.181 25446
1278 1 4 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.082 1.059 25446
1279 1 4 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.932 -0.594 25446
1280 1 4 . 1 1 22 22 ALA N N 22 115.949 115.949 118.833 -2.884 25446
1281 1 4 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.158 -0.041 25446
1282 1 4 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.134 -0.351 25446
1283 1 4 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.116 0.636 25446
1284 1 4 . 1 1 22 22 ALA H H 22 8.074 8.074 7.997 0.077 25446
1285 1 4 . 1 1 23 23 ASP N N 23 115.451 115.451 117.218 -1.767 25446
1286 1 4 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.631 0.021 25446
1287 1 4 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.891 0.553 25446
1288 1 4 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.544 -0.404 25446
1289 1 4 . 1 1 23 23 ASP H H 23 8.023 8.023 7.751 0.272 25446
1290 1 4 . 1 1 24 24 VAL N N 24 121.382 121.382 118.074 3.308 25446
1291 1 4 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.121 -0.293 25446
1292 1 4 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.644 0.667 25446
1293 1 4 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.135 -0.271 25446
1294 1 4 . 1 1 24 24 VAL H H 24 7.072 7.072 7.394 -0.322 25446
1295 1 4 . 1 1 25 25 ASP N N 25 129.258 129.258 125.984 3.274 25446
1296 1 4 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.600 -0.028 25446
1297 1 4 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.561 -0.091 25446
1298 1 4 . 1 1 25 25 ASP H H 25 8.499 8.499 8.664 -0.165 25446
1299 1 4 . 1 1 26 26 VAL N N 26 121.736 121.736 119.077 2.659 25446
1300 1 4 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.884 0.224 25446
1301 1 4 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.674 0.802 25446
1302 1 4 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.800 -0.583 25446
1303 1 4 . 1 1 26 26 VAL H H 26 8.566 8.566 8.084 0.482 25446
1304 1 4 . 1 1 27 27 ASP N N 27 116.233 116.233 117.337 -1.104 25446
1305 1 4 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.705 0.449 25446
1306 1 4 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.527 -0.404 25446
1307 1 4 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.508 2.084 25446
1308 1 4 . 1 1 27 27 ASP H H 27 8.638 8.638 7.920 0.718 25446
1309 1 4 . 1 1 28 28 LEU N N 28 125.046 125.046 122.181 2.865 25446
1310 1 4 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.495 -0.469 25446
1311 1 4 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.568 1.299 25446
1312 1 4 . 1 1 28 28 LEU CB C 28 43.408 43.408 44.028 -0.620 25446
1313 1 4 . 1 1 28 28 LEU H H 28 7.389 7.389 7.538 -0.149 25446
1314 1 4 . 1 1 29 29 ASP N N 29 125.807 125.807 124.703 1.104 25446
1315 1 4 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.571 0.260 25446
1316 1 4 . 1 1 29 29 ASP H H 29 8.731 8.731 8.545 0.186 25446
1317 1 4 . 1 1 30 30 LEU N N 30 130.007 130.007 120.965 9.042 25446
1318 1 4 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.320 -0.422 25446
1319 1 4 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.659 -0.240 25446
1320 1 4 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.584 0.539 25446
1321 1 4 . 1 1 30 30 LEU H H 30 9.744 9.744 8.351 1.393 25446
1322 1 4 . 1 1 31 31 VAL N N 31 121.093 121.093 122.223 -1.130 25446
1323 1 4 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.593 0.633 25446
1324 1 4 . 1 1 31 31 VAL CA C 31 64.391 64.391 67.009 -2.618 25446
1325 1 4 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.476 0.705 25446
1326 1 4 . 1 1 31 31 VAL H H 31 8.166 8.166 7.910 0.256 25446
1327 1 4 . 1 1 32 32 ASP N N 32 124.657 124.657 119.827 4.830 25446
1328 1 4 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.357 0.007 25446
1329 1 4 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.926 0.193 25446
1330 1 4 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.989 0.771 25446
1331 1 4 . 1 1 32 32 ASP H H 32 9.365 9.365 8.012 1.353 25446
1332 1 4 . 1 1 33 33 ASN N N 33 111.260 111.260 117.799 -6.539 25446
1333 1 4 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.633 0.107 25446
1334 1 4 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.732 1.080 25446
1335 1 4 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.800 1.306 25446
1336 1 4 . 1 1 33 33 ASN H H 33 7.423 7.423 7.798 -0.375 25446
1337 1 4 . 1 1 34 34 GLY N N 34 106.935 106.935 109.557 -2.622 25446
1338 1 4 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.048 -0.424 25446
1339 1 4 . 1 1 34 34 GLY H H 34 7.648 7.648 8.711 -1.063 25446
1340 1 4 . 1 1 35 35 VAL N N 35 120.307 120.307 122.626 -2.319 25446
1341 1 4 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.657 0.123 25446
1342 1 4 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.965 0.060 25446
1343 1 4 . 1 1 35 35 VAL CB C 35 31.789 31.789 32.061 -0.272 25446
1344 1 4 . 1 1 35 35 VAL H H 35 7.838 7.838 7.409 0.429 25446
1345 1 4 . 1 1 36 36 ILE N N 36 116.154 116.154 118.600 -2.446 25446
1346 1 4 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.846 -0.087 25446
1347 1 4 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.872 -3.296 25446
1348 1 4 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.749 1.476 25446
1349 1 4 . 1 1 36 36 ILE H H 36 7.337 7.337 8.674 -1.337 25446
1350 1 4 . 1 1 37 37 ASP N N 37 126.730 126.730 120.247 6.483 25446
1351 1 4 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.935 0.794 25446
1352 1 4 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.785 -5.148 25446
1353 1 4 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.297 0.954 25446
1354 1 4 . 1 1 37 37 ASP H H 37 7.921 7.921 8.204 -0.283 25446
1355 1 4 . 1 1 38 38 SER N N 38 113.176 113.176 113.940 -0.764 25446
1356 1 4 . 1 1 38 38 SER HA H 38 4.122 4.122 4.534 -0.412 25446
1357 1 4 . 1 1 38 38 SER CA C 38 61.062 61.062 60.285 0.777 25446
1358 1 4 . 1 1 39 39 LEU N N 39 122.521 122.521 122.300 0.221 25446
1359 1 4 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.176 0.097 25446
1360 1 4 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.117 -0.747 25446
1361 1 4 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.083 -0.824 25446
1362 1 4 . 1 1 39 39 LEU H H 39 7.675 7.675 7.710 -0.035 25446
1363 1 4 . 1 1 40 40 GLY N N 40 111.971 111.971 106.846 5.125 25446
1364 1 4 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.987 1.133 25446
1365 1 4 . 1 1 40 40 GLY H H 40 8.776 8.776 7.605 1.171 25446
1366 1 4 . 1 1 41 41 LEU N N 41 122.579 122.579 123.565 -0.986 25446
1367 1 4 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.053 -0.208 25446
1368 1 4 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.869 0.396 25446
1369 1 4 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.018 -0.439 25446
1370 1 4 . 1 1 41 41 LEU H H 41 8.551 8.551 8.697 -0.146 25446
1371 1 4 . 1 1 42 42 LEU N N 42 116.126 116.126 119.370 -3.244 25446
1372 1 4 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.942 0.067 25446
1373 1 4 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.306 -0.205 25446
1374 1 4 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.664 -0.717 25446
1375 1 4 . 1 1 42 42 LEU H H 42 7.213 7.213 7.670 -0.457 25446
1376 1 4 . 1 1 43 43 LYS N N 43 119.793 119.793 119.144 0.649 25446
1377 1 4 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.062 0.220 25446
1378 1 4 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.000 -0.430 25446
1379 1 4 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.385 0.152 25446
1380 1 4 . 1 1 43 43 LYS H H 43 7.664 7.664 7.465 0.199 25446
1381 1 4 . 1 1 44 44 VAL N N 44 121.147 121.147 121.707 -0.560 25446
1382 1 4 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.028 -0.091 25446
1383 1 4 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.429 -0.611 25446
1384 1 4 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.934 -0.375 25446
1385 1 4 . 1 1 44 44 VAL H H 44 8.278 8.278 8.466 -0.188 25446
1386 1 4 . 1 1 45 45 ILE N N 45 119.222 119.222 119.782 -0.560 25446
1387 1 4 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.777 -0.372 25446
1388 1 4 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.219 2.842 25446
1389 1 4 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.953 2.286 25446
1390 1 4 . 1 1 45 45 ILE H H 45 8.127 8.127 8.450 -0.323 25446
1391 1 4 . 1 1 46 46 ALA N N 46 121.011 121.011 123.286 -2.275 25446
1392 1 4 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.197 0.035 25446
1393 1 4 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.926 0.034 25446
1394 1 4 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.726 -0.386 25446
1395 1 4 . 1 1 46 46 ALA H H 46 7.811 7.811 7.900 -0.089 25446
1396 1 4 . 1 1 47 47 TRP N N 47 121.158 121.158 121.109 0.049 25446
1397 1 4 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.421 -0.186 25446
1398 1 4 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.488 1.346 25446
1399 1 4 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.783 -1.563 25446
1400 1 4 . 1 1 47 47 TRP H H 47 8.094 8.094 8.464 -0.370 25446
1401 1 4 . 1 1 48 48 LEU N N 48 118.890 118.890 121.518 -2.628 25446
1402 1 4 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.924 0.649 25446
1403 1 4 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.562 -0.370 25446
1404 1 4 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.635 0.620 25446
1405 1 4 . 1 1 48 48 LEU H H 48 8.704 8.704 9.040 -0.336 25446
1406 1 4 . 1 1 49 49 GLU N N 49 118.917 118.917 119.324 -0.407 25446
1407 1 4 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.108 -0.062 25446
1408 1 4 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.340 0.368 25446
1409 1 4 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.436 0.179 25446
1410 1 4 . 1 1 49 49 GLU H H 49 7.808 7.808 8.026 -0.218 25446
1411 1 4 . 1 1 50 50 ASP N N 50 119.614 119.614 118.383 1.231 25446
1412 1 4 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.386 -0.146 25446
1413 1 4 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.596 0.413 25446
1414 1 4 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.065 1.312 25446
1415 1 4 . 1 1 50 50 ASP H H 50 7.677 7.677 7.491 0.186 25446
1416 1 4 . 1 1 51 51 ARG N N 51 116.918 116.918 117.806 -0.888 25446
1417 1 4 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.071 -0.346 25446
1418 1 4 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.140 -1.852 25446
1419 1 4 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.707 -1.423 25446
1420 1 4 . 1 1 51 51 ARG H H 51 8.876 8.876 7.629 1.247 25446
1421 1 4 . 1 1 52 52 PHE N N 52 112.278 112.278 114.748 -2.470 25446
1422 1 4 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.530 0.127 25446
1423 1 4 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.503 -1.453 25446
1424 1 4 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.750 1.002 25446
1425 1 4 . 1 1 52 52 PHE H H 52 7.330 7.330 7.830 -0.500 25446
1426 1 4 . 1 1 53 53 GLY N N 53 109.717 109.717 108.515 1.202 25446
1427 1 4 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.524 1.122 25446
1428 1 4 . 1 1 53 53 GLY H H 53 7.411 7.411 7.781 -0.370 25446
1429 1 4 . 1 1 54 54 ILE N N 54 119.148 119.148 121.564 -2.416 25446
1430 1 4 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.136 -0.193 25446
1431 1 4 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.370 0.230 25446
1432 1 4 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.792 0.717 25446
1433 1 4 . 1 1 54 54 ILE H H 54 6.901 6.901 7.207 -0.306 25446
1434 1 4 . 1 1 55 55 ALA N N 55 129.774 129.774 128.868 0.906 25446
1435 1 4 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.229 0.173 25446
1436 1 4 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.621 -0.973 25446
1437 1 4 . 1 1 55 55 ALA H H 55 8.538 8.538 8.661 -0.123 25446
1438 1 4 . 1 1 56 56 ALA N N 56 126.034 126.034 125.670 0.364 25446
1439 1 4 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.103 0.170 25446
1440 1 4 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.662 -1.050 25446
1441 1 4 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.611 0.511 25446
1442 1 4 . 1 1 56 56 ALA H H 56 8.620 8.620 8.913 -0.293 25446
1443 1 4 . 1 1 57 57 ASP N N 57 115.649 115.649 115.158 0.491 25446
1444 1 4 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.624 -0.148 25446
1445 1 4 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.101 1.069 25446
1446 1 4 . 1 1 57 57 ASP H H 57 8.321 8.321 8.379 -0.058 25446
1447 1 4 . 1 1 58 58 ASP N N 58 118.298 118.298 120.323 -2.025 25446
1448 1 4 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.470 0.198 25446
1449 1 4 . 1 1 58 58 ASP CA C 58 54.802 54.802 56.159 -1.357 25446
1450 1 4 . 1 1 58 58 ASP H H 58 7.971 7.971 7.819 0.152 25446
1451 1 4 . 1 1 59 59 VAL N N 59 118.443 118.443 112.288 6.155 25446
1452 1 4 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.463 -0.254 25446
1453 1 4 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.485 1.585 25446
1454 1 4 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.059 -1.729 25446
1455 1 4 . 1 1 59 59 VAL H H 59 7.700 7.700 7.372 0.328 25446
1456 1 4 . 1 1 60 60 GLU N N 60 122.777 122.777 122.869 -0.092 25446
1457 1 4 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.646 -0.363 25446
1458 1 4 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.467 0.851 25446
1459 1 4 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.220 -1.343 25446
1460 1 4 . 1 1 60 60 GLU H H 60 8.416 8.416 8.381 0.035 25446
1461 1 4 . 1 1 61 61 LEU N N 61 124.910 124.910 124.173 0.737 25446
1462 1 4 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.496 -0.139 25446
1463 1 4 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.085 1.077 25446
1464 1 4 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.256 -1.411 25446
1465 1 4 . 1 1 61 61 LEU H H 61 8.249 8.249 8.462 -0.213 25446
1466 1 4 . 1 1 62 62 SER N N 62 118.228 118.228 118.204 0.024 25446
1467 1 4 . 1 1 62 62 SER HA H 62 4.816 4.816 4.938 -0.122 25446
1468 1 4 . 1 1 62 62 SER CB C 62 63.963 63.963 64.788 -0.825 25446
1469 1 4 . 1 1 62 62 SER H H 62 8.025 8.025 8.187 -0.162 25446
1470 1 4 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.520 -0.266 25446
1471 1 4 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.278 -0.384 25446
1472 1 4 . 1 1 64 64 GLU N N 64 116.457 116.457 118.251 -1.794 25446
1473 1 4 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.148 -0.281 25446
1474 1 4 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.639 0.107 25446
1475 1 4 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.709 -0.002 25446
1476 1 4 . 1 1 64 64 GLU H H 64 8.310 8.310 8.286 0.024 25446
1477 1 4 . 1 1 65 65 HIS N N 65 114.998 114.998 119.994 -4.996 25446
1478 1 4 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.276 0.021 25446
1479 1 4 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.376 -1.011 25446
1480 1 4 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.579 0.028 25446
1481 1 4 . 1 1 65 65 HIS H H 65 7.324 7.324 7.668 -0.344 25446
1482 1 4 . 1 1 66 66 PHE N N 66 115.965 115.965 115.432 0.533 25446
1483 1 4 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.471 0.311 25446
1484 1 4 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.535 -2.869 25446
1485 1 4 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.495 0.489 25446
1486 1 4 . 1 1 66 66 PHE H H 66 7.245 7.245 7.560 -0.315 25446
1487 1 4 . 1 1 67 67 ARG N N 67 112.179 112.179 119.781 -7.602 25446
1488 1 4 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.049 0.035 25446
1489 1 4 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.108 0.183 25446
1490 1 4 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.834 0.803 25446
1491 1 4 . 1 1 67 67 ARG H H 67 6.632 6.632 7.556 -0.924 25446
1492 1 4 . 1 1 68 68 SER N N 68 109.181 109.181 109.182 -0.001 25446
1493 1 4 . 1 1 68 68 SER HA H 68 4.985 4.985 4.687 0.298 25446
1494 1 4 . 1 1 68 68 SER CA C 68 55.664 55.664 56.413 -0.749 25446
1495 1 4 . 1 1 68 68 SER CB C 68 67.608 67.608 65.629 1.979 25446
1496 1 4 . 1 1 68 68 SER H H 68 8.139 8.139 7.378 0.761 25446
1497 1 4 . 1 1 69 69 ILE N N 69 122.526 122.526 122.554 -0.028 25446
1498 1 4 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.723 -0.041 25446
1499 1 4 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.317 1.421 25446
1500 1 4 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.708 -0.720 25446
1501 1 4 . 1 1 69 69 ILE H H 69 9.770 9.770 8.846 0.924 25446
1502 1 4 . 1 1 70 70 ARG N N 70 118.671 118.671 118.849 -0.178 25446
1503 1 4 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.912 0.056 25446
1504 1 4 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.670 0.659 25446
1505 1 4 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.522 0.778 25446
1506 1 4 . 1 1 70 70 ARG H H 70 8.860 8.860 8.157 0.703 25446
1507 1 4 . 1 1 71 71 SER N N 71 117.722 117.722 115.125 2.597 25446
1508 1 4 . 1 1 71 71 SER HA H 71 4.346 4.346 4.132 0.214 25446
1509 1 4 . 1 1 71 71 SER CB C 71 62.962 62.962 62.660 0.302 25446
1510 1 4 . 1 1 71 71 SER H H 71 8.534 8.534 7.533 1.001 25446
1511 1 4 . 1 1 72 72 ILE N N 72 127.380 127.380 121.813 5.567 25446
1512 1 4 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.673 0.252 25446
1513 1 4 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.753 1.992 25446
1514 1 4 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.668 -0.307 25446
1515 1 4 . 1 1 72 72 ILE H H 72 8.789 8.789 7.153 1.636 25446
1516 1 4 . 1 1 73 73 ASP N N 73 121.443 121.443 120.738 0.705 25446
1517 1 4 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.351 -0.339 25446
1518 1 4 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.349 1.751 25446
1519 1 4 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.570 3.110 25446
1520 1 4 . 1 1 73 73 ASP H H 73 8.699 8.699 7.954 0.745 25446
1521 1 4 . 1 1 74 74 ALA N N 74 118.799 118.799 122.058 -3.259 25446
1522 1 4 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.014 0.025 25446
1523 1 4 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.370 -0.135 25446
1524 1 4 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.412 -0.463 25446
1525 1 4 . 1 1 74 74 ALA H H 74 8.042 8.042 7.607 0.435 25446
1526 1 4 . 1 1 75 75 PHE N N 75 121.125 121.125 119.500 1.625 25446
1527 1 4 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.131 -0.086 25446
1528 1 4 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.593 -0.642 25446
1529 1 4 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.461 -0.590 25446
1530 1 4 . 1 1 75 75 PHE H H 75 8.369 8.369 7.808 0.561 25446
1531 1 4 . 1 1 76 76 VAL N N 76 120.715 120.715 119.454 1.261 25446
1532 1 4 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.396 -0.446 25446
1533 1 4 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.249 -0.420 25446
1534 1 4 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.818 -0.591 25446
1535 1 4 . 1 1 76 76 VAL H H 76 8.555 8.555 8.524 0.031 25446
1536 1 4 . 1 1 77 77 VAL N N 77 121.286 121.286 119.279 2.007 25446
1537 1 4 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.960 -0.467 25446
1538 1 4 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.691 1.087 25446
1539 1 4 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.844 0.022 25446
1540 1 4 . 1 1 77 77 VAL H H 77 8.770 8.770 8.348 0.422 25446
1541 1 4 . 1 1 78 78 GLY N N 78 106.349 106.349 105.159 1.190 25446
1542 1 4 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.355 0.277 25446
1543 1 4 . 1 1 78 78 GLY H H 78 7.976 7.976 7.934 0.042 25446
1544 1 4 . 1 1 79 79 ALA N N 79 120.998 120.998 121.857 -0.859 25446
1545 1 4 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.355 -0.148 25446
1546 1 4 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.581 0.215 25446
1547 1 4 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.335 -1.069 25446
1548 1 4 . 1 1 79 79 ALA H H 79 7.647 7.647 7.170 0.477 25446
1549 1 4 . 1 1 80 80 THR N N 80 107.402 107.402 110.791 -3.389 25446
1550 1 4 . 1 1 80 80 THR HA H 80 4.454 4.454 4.506 -0.052 25446
1551 1 4 . 1 1 80 80 THR CA C 80 61.337 61.337 61.317 0.020 25446
1552 1 4 . 1 1 80 80 THR CB C 80 70.703 70.703 70.327 0.376 25446
1553 1 4 . 1 1 80 80 THR H H 80 7.469 7.469 8.081 -0.612 25446
1554 1 4 . 1 1 81 81 THR N N 81 119.746 119.746 117.783 1.963 25446
1555 1 4 . 1 1 81 81 THR HA H 81 4.668 4.668 4.521 0.147 25446
1556 1 4 . 1 1 81 81 THR CA C 81 60.448 60.448 58.390 2.058 25446
1557 1 4 . 1 1 81 81 THR CB C 81 70.062 70.062 69.382 0.680 25446
1558 1 4 . 1 1 81 81 THR H H 81 7.684 7.684 8.316 -0.632 25446
1559 1 4 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.740 -0.041 25446
1560 1 4 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.815 0.796 25446
1561 1 4 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.150 -0.146 25446
1562 1 4 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.443 0.030 25446
1563 1 4 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.935 -0.124 25446
1564 1 4 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.517 -0.436 25446
1565 1 4 . 1 1 84 84 VAL N N 84 120.611 120.611 121.688 -1.077 25446
1566 1 4 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.438 -0.391 25446
1567 1 4 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.855 1.458 25446
1568 1 4 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.809 -1.937 25446
1569 1 4 . 1 1 84 84 VAL H H 84 8.240 8.240 8.160 0.080 25446
1570 1 4 . 1 1 85 85 GLU N N 85 125.076 125.076 126.479 -1.403 25446
1571 1 4 . 1 1 85 85 GLU H H 85 8.434 8.434 8.803 -0.369 25446
1572 1 4 . 1 1 86 86 ALA N N 86 126.280 126.280 121.044 5.236 25446
1573 1 4 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.348 0.940 25446
1574 1 4 . 1 1 86 86 ALA H H 86 8.340 8.340 7.491 0.849 25446
1575 1 4 . 1 1 87 87 LYS N N 87 121.709 121.709 115.651 6.058 25446
1576 1 4 . 1 1 87 87 LYS CB C 87 33.204 33.204 30.691 2.513 25446
1577 1 4 . 1 1 87 87 LYS H H 87 8.334 8.334 8.576 -0.242 25446
1578 1 4 . 1 1 88 88 LEU N N 88 125.379 125.379 118.674 6.705 25446
1579 1 4 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.964 -3.964 25446
1580 1 4 . 1 1 88 88 LEU H H 88 8.435 8.435 8.343 0.092 25446
1581 1 5 . 1 1 2 2 GLN N N 2 123.771 123.771 119.835 3.936 25446
1582 1 5 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.879 0.251 25446
1583 1 5 . 1 1 2 2 GLN CA C 2 57.549 57.549 57.411 0.138 25446
1584 1 5 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.884 1.278 25446
1585 1 5 . 1 1 2 2 GLN H H 2 9.634 9.634 8.486 1.148 25446
1586 1 5 . 1 1 3 3 HIS N N 3 119.013 119.013 112.948 6.065 25446
1587 1 5 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.771 0.413 25446
1588 1 5 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.411 -0.408 25446
1589 1 5 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.744 1.344 25446
1590 1 5 . 1 1 3 3 HIS H H 3 9.946 9.946 7.905 2.041 25446
1591 1 5 . 1 1 4 4 ALA N N 4 122.550 122.550 124.230 -1.680 25446
1592 1 5 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.961 -0.070 25446
1593 1 5 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.910 1.650 25446
1594 1 5 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.089 -0.297 25446
1595 1 5 . 1 1 4 4 ALA H H 4 7.524 7.524 8.052 -0.528 25446
1596 1 5 . 1 1 5 5 SER N N 5 112.310 112.310 114.245 -1.935 25446
1597 1 5 . 1 1 5 5 SER HA H 5 4.295 4.295 4.173 0.122 25446
1598 1 5 . 1 1 5 5 SER CA C 5 62.089 62.089 62.188 -0.099 25446
1599 1 5 . 1 1 5 5 SER CB C 5 62.421 62.421 62.636 -0.214 25446
1600 1 5 . 1 1 5 5 SER H H 5 8.772 8.772 8.356 0.416 25446
1601 1 5 . 1 1 6 6 VAL N N 6 122.625 122.625 121.943 0.682 25446
1602 1 5 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.834 0.277 25446
1603 1 5 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.853 -0.145 25446
1604 1 5 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.186 1.554 25446
1605 1 5 . 1 1 6 6 VAL H H 6 7.657 7.657 7.355 0.302 25446
1606 1 5 . 1 1 7 7 ILE N N 7 121.536 121.536 121.289 0.247 25446
1607 1 5 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.616 0.610 25446
1608 1 5 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.130 -0.837 25446
1609 1 5 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.181 1.450 25446
1610 1 5 . 1 1 7 7 ILE H H 7 8.526 8.526 7.647 0.879 25446
1611 1 5 . 1 1 8 8 ALA N N 8 121.229 121.229 121.757 -0.528 25446
1612 1 5 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.970 -0.074 25446
1613 1 5 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.747 0.495 25446
1614 1 5 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.133 0.598 25446
1615 1 5 . 1 1 8 8 ALA H H 8 8.946 8.946 8.061 0.885 25446
1616 1 5 . 1 1 9 9 GLN N N 9 114.998 114.998 119.421 -4.423 25446
1617 1 5 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.053 -0.180 25446
1618 1 5 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.922 0.037 25446
1619 1 5 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.867 -1.054 25446
1620 1 5 . 1 1 9 9 GLN H H 9 7.731 7.731 8.016 -0.285 25446
1621 1 5 . 1 1 10 10 PHE N N 10 120.075 120.075 121.214 -1.139 25446
1622 1 5 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.253 -0.175 25446
1623 1 5 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.736 -0.883 25446
1624 1 5 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.282 -0.459 25446
1625 1 5 . 1 1 10 10 PHE H H 10 7.299 7.299 8.960 -1.661 25446
1626 1 5 . 1 1 11 11 VAL N N 11 117.458 117.458 118.405 -0.947 25446
1627 1 5 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.944 -0.637 25446
1628 1 5 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.642 0.802 25446
1629 1 5 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.585 0.103 25446
1630 1 5 . 1 1 11 11 VAL H H 11 8.363 8.363 8.564 -0.201 25446
1631 1 5 . 1 1 12 12 VAL N N 12 117.722 117.722 120.809 -3.087 25446
1632 1 5 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.005 0.742 25446
1633 1 5 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.809 0.110 25446
1634 1 5 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.643 0.624 25446
1635 1 5 . 1 1 12 12 VAL H H 12 8.289 8.289 8.791 -0.502 25446
1636 1 5 . 1 1 13 13 GLU N N 13 117.827 117.827 120.145 -2.318 25446
1637 1 5 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.825 -0.083 25446
1638 1 5 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.352 -0.159 25446
1639 1 5 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.081 0.413 25446
1640 1 5 . 1 1 13 13 GLU H H 13 7.758 7.758 8.621 -0.863 25446
1641 1 5 . 1 1 14 14 GLU N N 14 113.425 113.425 119.848 -6.423 25446
1642 1 5 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.157 -0.385 25446
1643 1 5 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.448 -1.841 25446
1644 1 5 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.377 -0.878 25446
1645 1 5 . 1 1 14 14 GLU H H 14 7.604 7.604 7.712 -0.108 25446
1646 1 5 . 1 1 15 15 PHE N N 15 114.097 114.097 114.480 -0.383 25446
1647 1 5 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.790 0.151 25446
1648 1 5 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.498 2.495 25446
1649 1 5 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.398 2.594 25446
1650 1 5 . 1 1 15 15 PHE H H 15 7.916 7.916 7.559 0.357 25446
1651 1 5 . 1 1 16 16 LEU N N 16 121.405 121.405 121.553 -0.148 25446
1652 1 5 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.369 0.598 25446
1653 1 5 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.061 -0.744 25446
1654 1 5 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.534 3.201 25446
1655 1 5 . 1 1 16 16 LEU H H 16 8.046 8.046 7.360 0.686 25446
1656 1 5 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.482 -0.108 25446
1657 1 5 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.485 2.180 25446
1658 1 5 . 1 1 18 18 ASP N N 18 116.413 116.413 117.954 -1.541 25446
1659 1 5 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.471 0.113 25446
1660 1 5 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.212 0.378 25446
1661 1 5 . 1 1 18 18 ASP H H 18 8.415 8.415 8.473 -0.058 25446
1662 1 5 . 1 1 19 19 VAL N N 19 122.077 122.077 118.684 3.393 25446
1663 1 5 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.090 0.023 25446
1664 1 5 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.553 0.794 25446
1665 1 5 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.868 -0.481 25446
1666 1 5 . 1 1 19 19 VAL H H 19 7.771 7.771 7.280 0.491 25446
1667 1 5 . 1 1 20 20 ALA N N 20 129.197 129.197 130.121 -0.924 25446
1668 1 5 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.518 0.070 25446
1669 1 5 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.193 0.035 25446
1670 1 5 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.316 -0.893 25446
1671 1 5 . 1 1 20 20 ALA H H 20 8.765 8.765 8.420 0.345 25446
1672 1 5 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.082 -0.008 25446
1673 1 5 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.663 0.478 25446
1674 1 5 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.695 -0.357 25446
1675 1 5 . 1 1 22 22 ALA N N 22 115.949 115.949 117.309 -1.360 25446
1676 1 5 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.156 -0.039 25446
1677 1 5 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.167 -0.384 25446
1678 1 5 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.428 0.324 25446
1679 1 5 . 1 1 22 22 ALA H H 22 8.074 8.074 7.951 0.123 25446
1680 1 5 . 1 1 23 23 ASP N N 23 115.451 115.451 116.873 -1.422 25446
1681 1 5 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.763 -0.111 25446
1682 1 5 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.114 0.330 25446
1683 1 5 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.182 -0.042 25446
1684 1 5 . 1 1 23 23 ASP H H 23 8.023 8.023 8.354 -0.331 25446
1685 1 5 . 1 1 24 24 VAL N N 24 121.382 121.382 120.883 0.499 25446
1686 1 5 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.129 -0.301 25446
1687 1 5 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.202 1.109 25446
1688 1 5 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.515 -1.651 25446
1689 1 5 . 1 1 24 24 VAL H H 24 7.072 7.072 7.457 -0.386 25446
1690 1 5 . 1 1 25 25 ASP N N 25 129.258 129.258 127.170 2.088 25446
1691 1 5 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.604 -0.032 25446
1692 1 5 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.414 0.056 25446
1693 1 5 . 1 1 25 25 ASP H H 25 8.499 8.499 8.821 -0.322 25446
1694 1 5 . 1 1 26 26 VAL N N 26 121.736 121.736 120.557 1.179 25446
1695 1 5 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.852 0.256 25446
1696 1 5 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.828 0.648 25446
1697 1 5 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.878 -0.661 25446
1698 1 5 . 1 1 26 26 VAL H H 26 8.566 8.566 7.947 0.619 25446
1699 1 5 . 1 1 27 27 ASP N N 27 116.233 116.233 117.543 -1.310 25446
1700 1 5 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.691 0.463 25446
1701 1 5 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.261 -0.138 25446
1702 1 5 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.487 2.105 25446
1703 1 5 . 1 1 27 27 ASP H H 27 8.638 8.638 7.971 0.667 25446
1704 1 5 . 1 1 28 28 LEU N N 28 125.046 125.046 122.550 2.496 25446
1705 1 5 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.411 -0.385 25446
1706 1 5 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.898 0.969 25446
1707 1 5 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.392 0.016 25446
1708 1 5 . 1 1 28 28 LEU H H 28 7.389 7.389 7.476 -0.087 25446
1709 1 5 . 1 1 29 29 ASP N N 29 125.807 125.807 125.449 0.358 25446
1710 1 5 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.741 0.090 25446
1711 1 5 . 1 1 29 29 ASP H H 29 8.731 8.731 8.594 0.137 25446
1712 1 5 . 1 1 30 30 LEU N N 30 130.007 130.007 125.520 4.487 25446
1713 1 5 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.223 -0.325 25446
1714 1 5 . 1 1 30 30 LEU CA C 30 56.419 56.419 55.841 0.578 25446
1715 1 5 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.439 0.684 25446
1716 1 5 . 1 1 30 30 LEU H H 30 9.744 9.744 8.693 1.051 25446
1717 1 5 . 1 1 31 31 VAL N N 31 121.093 121.093 121.122 -0.029 25446
1718 1 5 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.565 0.661 25446
1719 1 5 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.591 -1.200 25446
1720 1 5 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.075 1.106 25446
1721 1 5 . 1 1 31 31 VAL H H 31 8.166 8.166 7.830 0.336 25446
1722 1 5 . 1 1 32 32 ASP N N 32 124.657 124.657 119.435 5.222 25446
1723 1 5 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.348 0.016 25446
1724 1 5 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.840 0.279 25446
1725 1 5 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.582 0.178 25446
1726 1 5 . 1 1 32 32 ASP H H 32 9.365 9.365 7.970 1.395 25446
1727 1 5 . 1 1 33 33 ASN N N 33 111.260 111.260 118.038 -6.778 25446
1728 1 5 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.559 0.181 25446
1729 1 5 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.517 1.295 25446
1730 1 5 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.888 1.218 25446
1731 1 5 . 1 1 33 33 ASN H H 33 7.423 7.423 7.891 -0.468 25446
1732 1 5 . 1 1 34 34 GLY N N 34 106.935 106.935 110.154 -3.219 25446
1733 1 5 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.026 -0.402 25446
1734 1 5 . 1 1 34 34 GLY H H 34 7.648 7.648 8.774 -1.126 25446
1735 1 5 . 1 1 35 35 VAL N N 35 120.307 120.307 123.081 -2.774 25446
1736 1 5 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.677 0.103 25446
1737 1 5 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.739 0.286 25446
1738 1 5 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.424 0.365 25446
1739 1 5 . 1 1 35 35 VAL H H 35 7.838 7.838 7.539 0.299 25446
1740 1 5 . 1 1 36 36 ILE N N 36 116.154 116.154 118.384 -2.230 25446
1741 1 5 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.842 -0.083 25446
1742 1 5 . 1 1 36 36 ILE CA C 36 60.576 60.576 62.312 -1.736 25446
1743 1 5 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.470 1.755 25446
1744 1 5 . 1 1 36 36 ILE H H 36 7.337 7.337 8.439 -1.102 25446
1745 1 5 . 1 1 37 37 ASP N N 37 126.730 126.730 120.616 6.114 25446
1746 1 5 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.974 0.755 25446
1747 1 5 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.902 -5.265 25446
1748 1 5 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.012 1.239 25446
1749 1 5 . 1 1 37 37 ASP H H 37 7.921 7.921 8.364 -0.443 25446
1750 1 5 . 1 1 38 38 SER N N 38 113.176 113.176 113.901 -0.725 25446
1751 1 5 . 1 1 38 38 SER HA H 38 4.122 4.122 4.490 -0.368 25446
1752 1 5 . 1 1 38 38 SER CA C 38 61.062 61.062 59.086 1.976 25446
1753 1 5 . 1 1 39 39 LEU N N 39 122.521 122.521 123.439 -0.918 25446
1754 1 5 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.088 0.185 25446
1755 1 5 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.424 -1.054 25446
1756 1 5 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.939 -0.680 25446
1757 1 5 . 1 1 39 39 LEU H H 39 7.675 7.675 8.416 -0.741 25446
1758 1 5 . 1 1 40 40 GLY N N 40 111.971 111.971 106.250 5.721 25446
1759 1 5 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.947 1.173 25446
1760 1 5 . 1 1 40 40 GLY H H 40 8.776 8.776 7.590 1.186 25446
1761 1 5 . 1 1 41 41 LEU N N 41 122.579 122.579 123.607 -1.028 25446
1762 1 5 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.121 -0.276 25446
1763 1 5 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.673 0.592 25446
1764 1 5 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.019 -0.440 25446
1765 1 5 . 1 1 41 41 LEU H H 41 8.551 8.551 8.227 0.324 25446
1766 1 5 . 1 1 42 42 LEU N N 42 116.126 116.126 119.401 -3.275 25446
1767 1 5 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.903 0.106 25446
1768 1 5 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.656 -0.555 25446
1769 1 5 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.698 -0.751 25446
1770 1 5 . 1 1 42 42 LEU H H 42 7.213 7.213 8.387 -1.174 25446
1771 1 5 . 1 1 43 43 LYS N N 43 119.793 119.793 119.139 0.654 25446
1772 1 5 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.079 0.203 25446
1773 1 5 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.809 -0.239 25446
1774 1 5 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.345 0.192 25446
1775 1 5 . 1 1 43 43 LYS H H 43 7.664 7.664 7.504 0.160 25446
1776 1 5 . 1 1 44 44 VAL N N 44 121.147 121.147 121.461 -0.314 25446
1777 1 5 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.007 -0.070 25446
1778 1 5 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.808 0.010 25446
1779 1 5 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.303 0.256 25446
1780 1 5 . 1 1 44 44 VAL H H 44 8.278 8.278 8.420 -0.142 25446
1781 1 5 . 1 1 45 45 ILE N N 45 119.222 119.222 120.488 -1.266 25446
1782 1 5 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.748 -0.343 25446
1783 1 5 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.930 2.131 25446
1784 1 5 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.956 2.283 25446
1785 1 5 . 1 1 45 45 ILE H H 45 8.127 8.127 8.508 -0.381 25446
1786 1 5 . 1 1 46 46 ALA N N 46 121.011 121.011 122.692 -1.681 25446
1787 1 5 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.171 0.061 25446
1788 1 5 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.022 -0.062 25446
1789 1 5 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.569 -0.229 25446
1790 1 5 . 1 1 46 46 ALA H H 46 7.811 7.811 7.759 0.052 25446
1791 1 5 . 1 1 47 47 TRP N N 47 121.158 121.158 121.029 0.129 25446
1792 1 5 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.506 -0.271 25446
1793 1 5 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.150 2.684 25446
1794 1 5 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.662 -1.442 25446
1795 1 5 . 1 1 47 47 TRP H H 47 8.094 8.094 8.460 -0.366 25446
1796 1 5 . 1 1 48 48 LEU N N 48 118.890 118.890 121.595 -2.705 25446
1797 1 5 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.286 0.287 25446
1798 1 5 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.475 -0.283 25446
1799 1 5 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.508 0.746 25446
1800 1 5 . 1 1 48 48 LEU H H 48 8.704 8.704 8.770 -0.066 25446
1801 1 5 . 1 1 49 49 GLU N N 49 118.917 118.917 118.944 -0.027 25446
1802 1 5 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.078 -0.032 25446
1803 1 5 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.297 0.411 25446
1804 1 5 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.351 0.265 25446
1805 1 5 . 1 1 49 49 GLU H H 49 7.808 7.808 7.896 -0.088 25446
1806 1 5 . 1 1 50 50 ASP N N 50 119.614 119.614 119.672 -0.058 25446
1807 1 5 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.471 -0.231 25446
1808 1 5 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.325 0.684 25446
1809 1 5 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.929 1.448 25446
1810 1 5 . 1 1 50 50 ASP H H 50 7.677 7.677 7.543 0.134 25446
1811 1 5 . 1 1 51 51 ARG N N 51 116.918 116.918 118.540 -1.622 25446
1812 1 5 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.034 -0.309 25446
1813 1 5 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.753 -2.465 25446
1814 1 5 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.435 -1.151 25446
1815 1 5 . 1 1 51 51 ARG H H 51 8.876 8.876 7.975 0.901 25446
1816 1 5 . 1 1 52 52 PHE N N 52 112.278 112.278 114.999 -2.721 25446
1817 1 5 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.735 -0.078 25446
1818 1 5 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.258 -1.208 25446
1819 1 5 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.861 0.891 25446
1820 1 5 . 1 1 52 52 PHE H H 52 7.330 7.330 7.719 -0.389 25446
1821 1 5 . 1 1 53 53 GLY N N 53 109.717 109.717 109.418 0.299 25446
1822 1 5 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.781 0.865 25446
1823 1 5 . 1 1 53 53 GLY H H 53 7.411 7.411 8.386 -0.975 25446
1824 1 5 . 1 1 54 54 ILE N N 54 119.148 119.148 115.250 3.898 25446
1825 1 5 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.536 -0.593 25446
1826 1 5 . 1 1 54 54 ILE CA C 54 60.600 60.600 59.193 1.407 25446
1827 1 5 . 1 1 54 54 ILE CB C 54 39.509 39.509 40.273 -0.764 25446
1828 1 5 . 1 1 54 54 ILE H H 54 6.901 6.901 7.430 -0.529 25446
1829 1 5 . 1 1 55 55 ALA N N 55 129.774 129.774 126.380 3.394 25446
1830 1 5 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.254 0.148 25446
1831 1 5 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.469 -0.821 25446
1832 1 5 . 1 1 55 55 ALA H H 55 8.538 8.538 8.419 0.119 25446
1833 1 5 . 1 1 56 56 ALA N N 56 126.034 126.034 123.705 2.329 25446
1834 1 5 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.127 0.146 25446
1835 1 5 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.301 0.311 25446
1836 1 5 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.849 0.273 25446
1837 1 5 . 1 1 56 56 ALA H H 56 8.620 8.620 8.575 0.045 25446
1838 1 5 . 1 1 57 57 ASP N N 57 115.649 115.649 116.402 -0.753 25446
1839 1 5 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.484 -0.008 25446
1840 1 5 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.773 0.397 25446
1841 1 5 . 1 1 57 57 ASP H H 57 8.321 8.321 8.620 -0.299 25446
1842 1 5 . 1 1 58 58 ASP N N 58 118.298 118.298 116.680 1.618 25446
1843 1 5 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.575 0.093 25446
1844 1 5 . 1 1 58 58 ASP CA C 58 54.802 54.802 52.944 1.858 25446
1845 1 5 . 1 1 58 58 ASP H H 58 7.971 7.971 8.096 -0.125 25446
1846 1 5 . 1 1 59 59 VAL N N 59 118.443 118.443 120.155 -1.712 25446
1847 1 5 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.802 0.407 25446
1848 1 5 . 1 1 59 59 VAL CA C 59 62.070 62.070 63.993 -1.923 25446
1849 1 5 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.183 1.147 25446
1850 1 5 . 1 1 59 59 VAL H H 59 7.700 7.700 8.071 -0.371 25446
1851 1 5 . 1 1 60 60 GLU N N 60 122.777 122.777 119.420 3.357 25446
1852 1 5 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.459 -0.176 25446
1853 1 5 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.657 0.661 25446
1854 1 5 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.546 -0.669 25446
1855 1 5 . 1 1 60 60 GLU H H 60 8.416 8.416 7.876 0.540 25446
1856 1 5 . 1 1 61 61 LEU N N 61 124.910 124.910 123.746 1.164 25446
1857 1 5 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.733 -0.376 25446
1858 1 5 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.437 0.725 25446
1859 1 5 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.174 -1.329 25446
1860 1 5 . 1 1 61 61 LEU H H 61 8.249 8.249 8.489 -0.240 25446
1861 1 5 . 1 1 62 62 SER N N 62 118.228 118.228 117.921 0.307 25446
1862 1 5 . 1 1 62 62 SER HA H 62 4.816 4.816 4.919 -0.103 25446
1863 1 5 . 1 1 62 62 SER CB C 62 63.963 63.963 65.052 -1.089 25446
1864 1 5 . 1 1 62 62 SER H H 62 8.025 8.025 8.213 -0.188 25446
1865 1 5 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.452 -0.198 25446
1866 1 5 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.061 -0.167 25446
1867 1 5 . 1 1 64 64 GLU N N 64 116.457 116.457 119.063 -2.606 25446
1868 1 5 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.064 -0.197 25446
1869 1 5 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.992 -0.246 25446
1870 1 5 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.197 -0.490 25446
1871 1 5 . 1 1 64 64 GLU H H 64 8.310 8.310 8.163 0.147 25446
1872 1 5 . 1 1 65 65 HIS N N 65 114.998 114.998 119.274 -4.276 25446
1873 1 5 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.185 0.112 25446
1874 1 5 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.100 -0.735 25446
1875 1 5 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.698 -0.091 25446
1876 1 5 . 1 1 65 65 HIS H H 65 7.324 7.324 7.723 -0.399 25446
1877 1 5 . 1 1 66 66 PHE N N 66 115.965 115.965 114.993 0.972 25446
1878 1 5 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.561 0.221 25446
1879 1 5 . 1 1 66 66 PHE CA C 66 55.666 55.666 57.831 -2.165 25446
1880 1 5 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.916 0.068 25446
1881 1 5 . 1 1 66 66 PHE H H 66 7.245 7.245 7.590 -0.345 25446
1882 1 5 . 1 1 67 67 ARG N N 67 112.179 112.179 119.127 -6.948 25446
1883 1 5 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.079 0.005 25446
1884 1 5 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.891 0.400 25446
1885 1 5 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.614 1.023 25446
1886 1 5 . 1 1 67 67 ARG H H 67 6.632 6.632 7.529 -0.897 25446
1887 1 5 . 1 1 68 68 SER N N 68 109.181 109.181 109.643 -0.462 25446
1888 1 5 . 1 1 68 68 SER HA H 68 4.985 4.985 4.709 0.276 25446
1889 1 5 . 1 1 68 68 SER CA C 68 55.664 55.664 56.905 -1.241 25446
1890 1 5 . 1 1 68 68 SER CB C 68 67.608 67.608 66.051 1.557 25446
1891 1 5 . 1 1 68 68 SER H H 68 8.139 8.139 7.268 0.871 25446
1892 1 5 . 1 1 69 69 ILE N N 69 122.526 122.526 122.683 -0.157 25446
1893 1 5 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.771 -0.089 25446
1894 1 5 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.873 1.865 25446
1895 1 5 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.851 -0.863 25446
1896 1 5 . 1 1 69 69 ILE H H 69 9.770 9.770 8.974 0.796 25446
1897 1 5 . 1 1 70 70 ARG N N 70 118.671 118.671 118.837 -0.166 25446
1898 1 5 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.923 0.045 25446
1899 1 5 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.742 0.587 25446
1900 1 5 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.683 0.617 25446
1901 1 5 . 1 1 70 70 ARG H H 70 8.860 8.860 8.513 0.347 25446
1902 1 5 . 1 1 71 71 SER N N 71 117.722 117.722 115.473 2.249 25446
1903 1 5 . 1 1 71 71 SER HA H 71 4.346 4.346 4.160 0.186 25446
1904 1 5 . 1 1 71 71 SER CB C 71 62.962 62.962 62.852 0.110 25446
1905 1 5 . 1 1 71 71 SER H H 71 8.534 8.534 7.644 0.890 25446
1906 1 5 . 1 1 72 72 ILE N N 72 127.380 127.380 122.953 4.427 25446
1907 1 5 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.529 0.396 25446
1908 1 5 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.912 1.833 25446
1909 1 5 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.519 -0.158 25446
1910 1 5 . 1 1 72 72 ILE H H 72 8.789 8.789 7.102 1.687 25446
1911 1 5 . 1 1 73 73 ASP N N 73 121.443 121.443 120.984 0.459 25446
1912 1 5 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.219 -0.207 25446
1913 1 5 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.450 1.650 25446
1914 1 5 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.519 3.161 25446
1915 1 5 . 1 1 73 73 ASP H H 73 8.699 8.699 8.137 0.562 25446
1916 1 5 . 1 1 74 74 ALA N N 74 118.799 118.799 121.731 -2.932 25446
1917 1 5 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.074 -0.035 25446
1918 1 5 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.075 0.160 25446
1919 1 5 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.256 -0.307 25446
1920 1 5 . 1 1 74 74 ALA H H 74 8.042 8.042 7.662 0.380 25446
1921 1 5 . 1 1 75 75 PHE N N 75 121.125 121.125 119.631 1.494 25446
1922 1 5 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.143 -0.098 25446
1923 1 5 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.708 -0.757 25446
1924 1 5 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.512 -0.641 25446
1925 1 5 . 1 1 75 75 PHE H H 75 8.369 8.369 7.675 0.694 25446
1926 1 5 . 1 1 76 76 VAL N N 76 120.715 120.715 119.218 1.497 25446
1927 1 5 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.600 -0.650 25446
1928 1 5 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.905 -0.076 25446
1929 1 5 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.265 -0.038 25446
1930 1 5 . 1 1 76 76 VAL H H 76 8.555 8.555 8.547 0.008 25446
1931 1 5 . 1 1 77 77 VAL N N 77 121.286 121.286 119.462 1.824 25446
1932 1 5 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.618 -0.125 25446
1933 1 5 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.823 0.955 25446
1934 1 5 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.345 0.521 25446
1935 1 5 . 1 1 77 77 VAL H H 77 8.770 8.770 8.300 0.470 25446
1936 1 5 . 1 1 78 78 GLY N N 78 106.349 106.349 106.024 0.325 25446
1937 1 5 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.577 0.055 25446
1938 1 5 . 1 1 78 78 GLY H H 78 7.976 7.976 7.979 -0.003 25446
1939 1 5 . 1 1 79 79 ALA N N 79 120.998 120.998 122.005 -1.007 25446
1940 1 5 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.499 -0.292 25446
1941 1 5 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.879 -0.083 25446
1942 1 5 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.517 -1.251 25446
1943 1 5 . 1 1 79 79 ALA H H 79 7.647 7.647 7.211 0.436 25446
1944 1 5 . 1 1 80 80 THR N N 80 107.402 107.402 113.321 -5.919 25446
1945 1 5 . 1 1 80 80 THR HA H 80 4.454 4.454 4.395 0.059 25446
1946 1 5 . 1 1 80 80 THR CA C 80 61.337 61.337 62.365 -1.028 25446
1947 1 5 . 1 1 80 80 THR CB C 80 70.703 70.703 71.019 -0.316 25446
1948 1 5 . 1 1 80 80 THR H H 80 7.469 7.469 7.948 -0.479 25446
1949 1 5 . 1 1 81 81 THR N N 81 119.746 119.746 118.031 1.715 25446
1950 1 5 . 1 1 81 81 THR HA H 81 4.668 4.668 4.596 0.072 25446
1951 1 5 . 1 1 81 81 THR CA C 81 60.448 60.448 57.886 2.562 25446
1952 1 5 . 1 1 81 81 THR CB C 81 70.062 70.062 69.055 1.007 25446
1953 1 5 . 1 1 81 81 THR H H 81 7.684 7.684 7.952 -0.268 25446
1954 1 5 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.682 0.017 25446
1955 1 5 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.745 0.866 25446
1956 1 5 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.439 -0.435 25446
1957 1 5 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.399 0.074 25446
1958 1 5 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.406 0.405 25446
1959 1 5 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.543 -0.462 25446
1960 1 5 . 1 1 84 84 VAL N N 84 120.611 120.611 122.752 -2.141 25446
1961 1 5 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.278 -0.231 25446
1962 1 5 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.985 1.328 25446
1963 1 5 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.678 -1.806 25446
1964 1 5 . 1 1 84 84 VAL H H 84 8.240 8.240 8.165 0.075 25446
1965 1 5 . 1 1 85 85 GLU N N 85 125.076 125.076 124.536 0.540 25446
1966 1 5 . 1 1 85 85 GLU H H 85 8.434 8.434 8.787 -0.353 25446
1967 1 5 . 1 1 86 86 ALA N N 86 126.280 126.280 118.408 7.872 25446
1968 1 5 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.093 1.195 25446
1969 1 5 . 1 1 86 86 ALA H H 86 8.340 8.340 7.537 0.803 25446
1970 1 5 . 1 1 87 87 LYS N N 87 121.709 121.709 122.033 -0.324 25446
1971 1 5 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.250 0.954 25446
1972 1 5 . 1 1 87 87 LYS H H 87 8.334 8.334 9.482 -1.148 25446
1973 1 5 . 1 1 88 88 LEU N N 88 125.379 125.379 117.629 7.750 25446
1974 1 5 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.034 -4.034 25446
1975 1 5 . 1 1 88 88 LEU H H 88 8.435 8.435 7.843 0.592 25446
1976 1 6 . 1 1 2 2 GLN N N 2 123.771 123.771 119.823 3.948 25446
1977 1 6 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.922 0.208 25446
1978 1 6 . 1 1 2 2 GLN CA C 2 57.549 57.549 57.963 -0.414 25446
1979 1 6 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.511 1.651 25446
1980 1 6 . 1 1 2 2 GLN H H 2 9.634 9.634 8.543 1.091 25446
1981 1 6 . 1 1 3 3 HIS N N 3 119.013 119.013 112.615 6.398 25446
1982 1 6 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.908 0.276 25446
1983 1 6 . 1 1 3 3 HIS CA C 3 55.003 55.003 54.559 0.444 25446
1984 1 6 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.391 1.697 25446
1985 1 6 . 1 1 3 3 HIS H H 3 9.946 9.946 8.098 1.848 25446
1986 1 6 . 1 1 4 4 ALA N N 4 122.550 122.550 123.745 -1.195 25446
1987 1 6 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.111 -0.220 25446
1988 1 6 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.092 1.468 25446
1989 1 6 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.415 0.377 25446
1990 1 6 . 1 1 4 4 ALA H H 4 7.524 7.524 7.120 0.404 25446
1991 1 6 . 1 1 5 5 SER N N 5 112.310 112.310 113.796 -1.486 25446
1992 1 6 . 1 1 5 5 SER HA H 5 4.295 4.295 4.168 0.127 25446
1993 1 6 . 1 1 5 5 SER CA C 5 62.089 62.089 61.683 0.406 25446
1994 1 6 . 1 1 5 5 SER CB C 5 62.421 62.421 62.861 -0.440 25446
1995 1 6 . 1 1 5 5 SER H H 5 8.772 8.772 8.462 0.310 25446
1996 1 6 . 1 1 6 6 VAL N N 6 122.625 122.625 121.368 1.257 25446
1997 1 6 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.837 0.274 25446
1998 1 6 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.789 -0.081 25446
1999 1 6 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.642 1.098 25446
2000 1 6 . 1 1 6 6 VAL H H 6 7.657 7.657 7.479 0.178 25446
2001 1 6 . 1 1 7 7 ILE N N 7 121.536 121.536 120.894 0.642 25446
2002 1 6 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.638 0.588 25446
2003 1 6 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.129 -0.836 25446
2004 1 6 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.290 1.341 25446
2005 1 6 . 1 1 7 7 ILE H H 7 8.526 8.526 7.705 0.821 25446
2006 1 6 . 1 1 8 8 ALA N N 8 121.229 121.229 121.380 -0.151 25446
2007 1 6 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.014 -0.118 25446
2008 1 6 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.482 0.760 25446
2009 1 6 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.049 0.682 25446
2010 1 6 . 1 1 8 8 ALA H H 8 8.946 8.946 8.565 0.381 25446
2011 1 6 . 1 1 9 9 GLN N N 9 114.998 114.998 119.445 -4.447 25446
2012 1 6 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.070 -0.197 25446
2013 1 6 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.100 -0.141 25446
2014 1 6 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.868 -1.055 25446
2015 1 6 . 1 1 9 9 GLN H H 9 7.731 7.731 8.320 -0.589 25446
2016 1 6 . 1 1 10 10 PHE N N 10 120.075 120.075 121.469 -1.394 25446
2017 1 6 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.150 -0.072 25446
2018 1 6 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.684 -0.831 25446
2019 1 6 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.359 -0.536 25446
2020 1 6 . 1 1 10 10 PHE H H 10 7.299 7.299 8.873 -1.574 25446
2021 1 6 . 1 1 11 11 VAL N N 11 117.458 117.458 118.911 -1.453 25446
2022 1 6 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.829 -0.522 25446
2023 1 6 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.414 0.030 25446
2024 1 6 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.245 -0.557 25446
2025 1 6 . 1 1 11 11 VAL H H 11 8.363 8.363 8.372 -0.009 25446
2026 1 6 . 1 1 12 12 VAL N N 12 117.722 117.722 119.854 -2.132 25446
2027 1 6 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.751 -0.004 25446
2028 1 6 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.031 -0.112 25446
2029 1 6 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.214 0.053 25446
2030 1 6 . 1 1 12 12 VAL H H 12 8.289 8.289 8.343 -0.054 25446
2031 1 6 . 1 1 13 13 GLU N N 13 117.827 117.827 119.520 -1.693 25446
2032 1 6 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.941 -0.199 25446
2033 1 6 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.020 0.173 25446
2034 1 6 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.350 0.144 25446
2035 1 6 . 1 1 13 13 GLU H H 13 7.758 7.758 8.021 -0.263 25446
2036 1 6 . 1 1 14 14 GLU N N 14 113.425 113.425 117.385 -3.960 25446
2037 1 6 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.782 -0.010 25446
2038 1 6 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.098 -1.491 25446
2039 1 6 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.480 0.020 25446
2040 1 6 . 1 1 14 14 GLU H H 14 7.604 7.604 7.675 -0.071 25446
2041 1 6 . 1 1 15 15 PHE N N 15 114.097 114.097 115.581 -1.484 25446
2042 1 6 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.579 0.362 25446
2043 1 6 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.258 -1.264 25446
2044 1 6 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.587 1.405 25446
2045 1 6 . 1 1 15 15 PHE H H 15 7.916 7.916 7.311 0.605 25446
2046 1 6 . 1 1 16 16 LEU N N 16 121.405 121.405 120.388 1.017 25446
2047 1 6 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.794 0.173 25446
2048 1 6 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.368 -0.051 25446
2049 1 6 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.581 1.154 25446
2050 1 6 . 1 1 16 16 LEU H H 16 8.046 8.046 8.140 -0.094 25446
2051 1 6 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.554 -0.180 25446
2052 1 6 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.352 1.313 25446
2053 1 6 . 1 1 18 18 ASP N N 18 116.413 116.413 117.746 -1.333 25446
2054 1 6 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.482 0.102 25446
2055 1 6 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.094 0.496 25446
2056 1 6 . 1 1 18 18 ASP H H 18 8.415 8.415 8.581 -0.166 25446
2057 1 6 . 1 1 19 19 VAL N N 19 122.077 122.077 119.915 2.162 25446
2058 1 6 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.200 -0.087 25446
2059 1 6 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.687 0.660 25446
2060 1 6 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.680 -1.293 25446
2061 1 6 . 1 1 19 19 VAL H H 19 7.771 7.771 7.138 0.633 25446
2062 1 6 . 1 1 20 20 ALA N N 20 129.197 129.197 129.503 -0.306 25446
2063 1 6 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.424 0.164 25446
2064 1 6 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.937 -0.709 25446
2065 1 6 . 1 1 20 20 ALA CB C 20 17.423 17.423 17.932 -0.509 25446
2066 1 6 . 1 1 20 20 ALA H H 20 8.765 8.765 8.440 0.325 25446
2067 1 6 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.239 -0.165 25446
2068 1 6 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.099 1.042 25446
2069 1 6 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.928 -0.590 25446
2070 1 6 . 1 1 22 22 ALA N N 22 115.949 115.949 118.642 -2.693 25446
2071 1 6 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.170 -0.053 25446
2072 1 6 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.077 -0.294 25446
2073 1 6 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.105 0.647 25446
2074 1 6 . 1 1 22 22 ALA H H 22 8.074 8.074 7.979 0.095 25446
2075 1 6 . 1 1 23 23 ASP N N 23 115.451 115.451 117.531 -2.080 25446
2076 1 6 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.627 0.025 25446
2077 1 6 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.712 0.732 25446
2078 1 6 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.209 -0.069 25446
2079 1 6 . 1 1 23 23 ASP H H 23 8.023 8.023 7.713 0.310 25446
2080 1 6 . 1 1 24 24 VAL N N 24 121.382 121.382 121.113 0.269 25446
2081 1 6 . 1 1 24 24 VAL HA H 24 3.828 3.828 3.917 -0.089 25446
2082 1 6 . 1 1 24 24 VAL CA C 24 62.311 62.311 63.444 -1.133 25446
2083 1 6 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.169 -0.305 25446
2084 1 6 . 1 1 24 24 VAL H H 24 7.072 7.072 7.410 -0.338 25446
2085 1 6 . 1 1 25 25 ASP N N 25 129.258 129.258 127.178 2.080 25446
2086 1 6 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.533 0.039 25446
2087 1 6 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.071 0.399 25446
2088 1 6 . 1 1 25 25 ASP H H 25 8.499 8.499 8.694 -0.195 25446
2089 1 6 . 1 1 26 26 VAL N N 26 121.736 121.736 123.599 -1.863 25446
2090 1 6 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.919 0.189 25446
2091 1 6 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.786 0.690 25446
2092 1 6 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.728 -0.511 25446
2093 1 6 . 1 1 26 26 VAL H H 26 8.566 8.566 8.231 0.335 25446
2094 1 6 . 1 1 27 27 ASP N N 27 116.233 116.233 118.385 -2.152 25446
2095 1 6 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.712 0.442 25446
2096 1 6 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.047 0.076 25446
2097 1 6 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.495 1.097 25446
2098 1 6 . 1 1 27 27 ASP H H 27 8.638 8.638 7.766 0.872 25446
2099 1 6 . 1 1 28 28 LEU N N 28 125.046 125.046 122.496 2.550 25446
2100 1 6 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.484 -0.458 25446
2101 1 6 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.623 1.244 25446
2102 1 6 . 1 1 28 28 LEU CB C 28 43.408 43.408 44.133 -0.725 25446
2103 1 6 . 1 1 28 28 LEU H H 28 7.389 7.389 7.694 -0.305 25446
2104 1 6 . 1 1 29 29 ASP N N 29 125.807 125.807 124.888 0.919 25446
2105 1 6 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.675 0.156 25446
2106 1 6 . 1 1 29 29 ASP H H 29 8.731 8.731 8.633 0.098 25446
2107 1 6 . 1 1 30 30 LEU N N 30 130.007 130.007 122.073 7.934 25446
2108 1 6 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.356 -0.458 25446
2109 1 6 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.500 -0.081 25446
2110 1 6 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.665 0.458 25446
2111 1 6 . 1 1 30 30 LEU H H 30 9.744 9.744 8.386 1.358 25446
2112 1 6 . 1 1 31 31 VAL N N 31 121.093 121.093 122.623 -1.530 25446
2113 1 6 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.653 0.573 25446
2114 1 6 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.804 -1.413 25446
2115 1 6 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.188 0.993 25446
2116 1 6 . 1 1 31 31 VAL H H 31 8.166 8.166 7.760 0.406 25446
2117 1 6 . 1 1 32 32 ASP N N 32 124.657 124.657 119.832 4.825 25446
2118 1 6 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.371 -0.007 25446
2119 1 6 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.017 0.103 25446
2120 1 6 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.116 0.644 25446
2121 1 6 . 1 1 32 32 ASP H H 32 9.365 9.365 8.005 1.360 25446
2122 1 6 . 1 1 33 33 ASN N N 33 111.260 111.260 117.786 -6.526 25446
2123 1 6 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.628 0.112 25446
2124 1 6 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.744 1.068 25446
2125 1 6 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.832 1.274 25446
2126 1 6 . 1 1 33 33 ASN H H 33 7.423 7.423 8.025 -0.602 25446
2127 1 6 . 1 1 34 34 GLY N N 34 106.935 106.935 109.327 -2.392 25446
2128 1 6 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.033 -0.409 25446
2129 1 6 . 1 1 34 34 GLY H H 34 7.648 7.648 8.567 -0.919 25446
2130 1 6 . 1 1 35 35 VAL N N 35 120.307 120.307 122.897 -2.590 25446
2131 1 6 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.529 0.251 25446
2132 1 6 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.836 -0.811 25446
2133 1 6 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.748 0.041 25446
2134 1 6 . 1 1 35 35 VAL H H 35 7.838 7.838 7.357 0.481 25446
2135 1 6 . 1 1 36 36 ILE N N 36 116.154 116.154 119.573 -3.419 25446
2136 1 6 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.851 -0.092 25446
2137 1 6 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.529 -2.953 25446
2138 1 6 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.843 1.382 25446
2139 1 6 . 1 1 36 36 ILE H H 36 7.337 7.337 8.575 -1.238 25446
2140 1 6 . 1 1 37 37 ASP N N 37 126.730 126.730 120.519 6.211 25446
2141 1 6 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.581 1.148 25446
2142 1 6 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.733 -5.096 25446
2143 1 6 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.129 1.123 25446
2144 1 6 . 1 1 37 37 ASP H H 37 7.921 7.921 8.302 -0.381 25446
2145 1 6 . 1 1 38 38 SER N N 38 113.176 113.176 114.047 -0.871 25446
2146 1 6 . 1 1 38 38 SER HA H 38 4.122 4.122 4.551 -0.429 25446
2147 1 6 . 1 1 38 38 SER CA C 38 61.062 61.062 59.656 1.406 25446
2148 1 6 . 1 1 39 39 LEU N N 39 122.521 122.521 123.618 -1.097 25446
2149 1 6 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.122 0.151 25446
2150 1 6 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.381 -1.011 25446
2151 1 6 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.997 -0.738 25446
2152 1 6 . 1 1 39 39 LEU H H 39 7.675 7.675 7.793 -0.118 25446
2153 1 6 . 1 1 40 40 GLY N N 40 111.971 111.971 106.351 5.620 25446
2154 1 6 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.070 1.050 25446
2155 1 6 . 1 1 40 40 GLY H H 40 8.776 8.776 7.681 1.095 25446
2156 1 6 . 1 1 41 41 LEU N N 41 122.579 122.579 123.786 -1.207 25446
2157 1 6 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.169 -0.324 25446
2158 1 6 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.860 0.405 25446
2159 1 6 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.038 -0.459 25446
2160 1 6 . 1 1 41 41 LEU H H 41 8.551 8.551 8.481 0.070 25446
2161 1 6 . 1 1 42 42 LEU N N 42 116.126 116.126 119.807 -3.681 25446
2162 1 6 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.992 0.017 25446
2163 1 6 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.716 -0.615 25446
2164 1 6 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.797 -0.850 25446
2165 1 6 . 1 1 42 42 LEU H H 42 7.213 7.213 8.286 -1.073 25446
2166 1 6 . 1 1 43 43 LYS N N 43 119.793 119.793 119.411 0.382 25446
2167 1 6 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.067 0.215 25446
2168 1 6 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.057 -0.487 25446
2169 1 6 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.405 0.132 25446
2170 1 6 . 1 1 43 43 LYS H H 43 7.664 7.664 7.483 0.181 25446
2171 1 6 . 1 1 44 44 VAL N N 44 121.147 121.147 121.019 0.128 25446
2172 1 6 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.118 -0.181 25446
2173 1 6 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.076 -0.258 25446
2174 1 6 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.681 -0.122 25446
2175 1 6 . 1 1 44 44 VAL H H 44 8.278 8.278 8.645 -0.367 25446
2176 1 6 . 1 1 45 45 ILE N N 45 119.222 119.222 121.122 -1.900 25446
2177 1 6 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.742 -0.337 25446
2178 1 6 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.454 1.607 25446
2179 1 6 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.256 0.983 25446
2180 1 6 . 1 1 45 45 ILE H H 45 8.127 8.127 8.624 -0.497 25446
2181 1 6 . 1 1 46 46 ALA N N 46 121.011 121.011 123.043 -2.032 25446
2182 1 6 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.162 0.070 25446
2183 1 6 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.095 -0.135 25446
2184 1 6 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.545 -0.205 25446
2185 1 6 . 1 1 46 46 ALA H H 46 7.811 7.811 8.086 -0.275 25446
2186 1 6 . 1 1 47 47 TRP N N 47 121.158 121.158 121.078 0.080 25446
2187 1 6 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.416 -0.181 25446
2188 1 6 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.661 1.173 25446
2189 1 6 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.852 -1.632 25446
2190 1 6 . 1 1 47 47 TRP H H 47 8.094 8.094 8.421 -0.327 25446
2191 1 6 . 1 1 48 48 LEU N N 48 118.890 118.890 121.567 -2.677 25446
2192 1 6 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.009 0.564 25446
2193 1 6 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.631 -0.439 25446
2194 1 6 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.682 0.572 25446
2195 1 6 . 1 1 48 48 LEU H H 48 8.704 8.704 9.074 -0.370 25446
2196 1 6 . 1 1 49 49 GLU N N 49 118.917 118.917 119.326 -0.409 25446
2197 1 6 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.110 -0.064 25446
2198 1 6 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.293 0.415 25446
2199 1 6 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.510 0.106 25446
2200 1 6 . 1 1 49 49 GLU H H 49 7.808 7.808 8.291 -0.483 25446
2201 1 6 . 1 1 50 50 ASP N N 50 119.614 119.614 118.627 0.987 25446
2202 1 6 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.397 -0.157 25446
2203 1 6 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.340 0.669 25446
2204 1 6 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.971 1.405 25446
2205 1 6 . 1 1 50 50 ASP H H 50 7.677 7.677 7.634 0.043 25446
2206 1 6 . 1 1 51 51 ARG N N 51 116.918 116.918 117.827 -0.909 25446
2207 1 6 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.000 -0.275 25446
2208 1 6 . 1 1 51 51 ARG CA C 51 56.288 56.288 57.998 -1.710 25446
2209 1 6 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.645 -1.361 25446
2210 1 6 . 1 1 51 51 ARG H H 51 8.876 8.876 7.572 1.304 25446
2211 1 6 . 1 1 52 52 PHE N N 52 112.278 112.278 114.731 -2.453 25446
2212 1 6 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.538 0.119 25446
2213 1 6 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.414 -1.364 25446
2214 1 6 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.494 1.258 25446
2215 1 6 . 1 1 52 52 PHE H H 52 7.330 7.330 7.937 -0.607 25446
2216 1 6 . 1 1 53 53 GLY N N 53 109.717 109.717 108.737 0.980 25446
2217 1 6 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.572 1.075 25446
2218 1 6 . 1 1 53 53 GLY H H 53 7.411 7.411 7.891 -0.480 25446
2219 1 6 . 1 1 54 54 ILE N N 54 119.148 119.148 120.971 -1.823 25446
2220 1 6 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.141 -0.198 25446
2221 1 6 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.312 0.288 25446
2222 1 6 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.182 0.327 25446
2223 1 6 . 1 1 54 54 ILE H H 54 6.901 6.901 7.211 -0.310 25446
2224 1 6 . 1 1 55 55 ALA N N 55 129.774 129.774 128.906 0.868 25446
2225 1 6 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.244 0.158 25446
2226 1 6 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.812 -1.164 25446
2227 1 6 . 1 1 55 55 ALA H H 55 8.538 8.538 8.422 0.116 25446
2228 1 6 . 1 1 56 56 ALA N N 56 126.034 126.034 123.366 2.668 25446
2229 1 6 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.130 0.143 25446
2230 1 6 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.316 0.297 25446
2231 1 6 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.036 0.086 25446
2232 1 6 . 1 1 56 56 ALA H H 56 8.620 8.620 8.429 0.191 25446
2233 1 6 . 1 1 57 57 ASP N N 57 115.649 115.649 115.010 0.639 25446
2234 1 6 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.461 0.015 25446
2235 1 6 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.853 0.317 25446
2236 1 6 . 1 1 57 57 ASP H H 57 8.321 8.321 8.342 -0.021 25446
2237 1 6 . 1 1 58 58 ASP N N 58 118.298 118.298 116.966 1.332 25446
2238 1 6 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.618 0.050 25446
2239 1 6 . 1 1 58 58 ASP CA C 58 54.802 54.802 53.426 1.375 25446
2240 1 6 . 1 1 58 58 ASP H H 58 7.971 7.971 8.470 -0.499 25446
2241 1 6 . 1 1 59 59 VAL N N 59 118.443 118.443 119.276 -0.833 25446
2242 1 6 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.847 0.362 25446
2243 1 6 . 1 1 59 59 VAL CA C 59 62.070 62.070 63.927 -1.857 25446
2244 1 6 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.077 1.253 25446
2245 1 6 . 1 1 59 59 VAL H H 59 7.700 7.700 7.802 -0.102 25446
2246 1 6 . 1 1 60 60 GLU N N 60 122.777 122.777 119.520 3.257 25446
2247 1 6 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.479 -0.196 25446
2248 1 6 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.901 0.417 25446
2249 1 6 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.466 -0.589 25446
2250 1 6 . 1 1 60 60 GLU H H 60 8.416 8.416 8.210 0.206 25446
2251 1 6 . 1 1 61 61 LEU N N 61 124.910 124.910 123.096 1.814 25446
2252 1 6 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.688 -0.331 25446
2253 1 6 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.961 0.201 25446
2254 1 6 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.964 -2.119 25446
2255 1 6 . 1 1 61 61 LEU H H 61 8.249 8.249 8.368 -0.119 25446
2256 1 6 . 1 1 62 62 SER N N 62 118.228 118.228 116.900 1.328 25446
2257 1 6 . 1 1 62 62 SER HA H 62 4.816 4.816 4.986 -0.170 25446
2258 1 6 . 1 1 62 62 SER CB C 62 63.963 63.963 65.269 -1.306 25446
2259 1 6 . 1 1 62 62 SER H H 62 8.025 8.025 8.315 -0.290 25446
2260 1 6 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.677 -0.423 25446
2261 1 6 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.917 -0.023 25446
2262 1 6 . 1 1 64 64 GLU N N 64 116.457 116.457 118.418 -1.961 25446
2263 1 6 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.116 -0.249 25446
2264 1 6 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.372 -0.626 25446
2265 1 6 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.004 -0.297 25446
2266 1 6 . 1 1 64 64 GLU H H 64 8.310 8.310 8.986 -0.676 25446
2267 1 6 . 1 1 65 65 HIS N N 65 114.998 114.998 118.898 -3.900 25446
2268 1 6 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.264 0.033 25446
2269 1 6 . 1 1 65 65 HIS CA C 65 57.365 57.365 57.861 -0.496 25446
2270 1 6 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.713 -0.106 25446
2271 1 6 . 1 1 65 65 HIS H H 65 7.324 7.324 7.683 -0.359 25446
2272 1 6 . 1 1 66 66 PHE N N 66 115.965 115.965 115.102 0.863 25446
2273 1 6 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.481 0.301 25446
2274 1 6 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.314 -2.648 25446
2275 1 6 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.518 0.466 25446
2276 1 6 . 1 1 66 66 PHE H H 66 7.245 7.245 7.451 -0.206 25446
2277 1 6 . 1 1 67 67 ARG N N 67 112.179 112.179 117.858 -5.679 25446
2278 1 6 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.029 0.055 25446
2279 1 6 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.983 0.309 25446
2280 1 6 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.889 0.748 25446
2281 1 6 . 1 1 67 67 ARG H H 67 6.632 6.632 7.491 -0.859 25446
2282 1 6 . 1 1 68 68 SER N N 68 109.181 109.181 109.548 -0.367 25446
2283 1 6 . 1 1 68 68 SER HA H 68 4.985 4.985 4.665 0.320 25446
2284 1 6 . 1 1 68 68 SER CA C 68 55.664 55.664 56.524 -0.860 25446
2285 1 6 . 1 1 68 68 SER CB C 68 67.608 67.608 65.824 1.784 25446
2286 1 6 . 1 1 68 68 SER H H 68 8.139 8.139 7.373 0.766 25446
2287 1 6 . 1 1 69 69 ILE N N 69 122.526 122.526 123.107 -0.581 25446
2288 1 6 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.769 -0.087 25446
2289 1 6 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.492 2.246 25446
2290 1 6 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.938 -0.950 25446
2291 1 6 . 1 1 69 69 ILE H H 69 9.770 9.770 8.779 0.991 25446
2292 1 6 . 1 1 70 70 ARG N N 70 118.671 118.671 119.105 -0.434 25446
2293 1 6 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.149 -0.181 25446
2294 1 6 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.601 0.728 25446
2295 1 6 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.565 0.735 25446
2296 1 6 . 1 1 70 70 ARG H H 70 8.860 8.860 8.265 0.595 25446
2297 1 6 . 1 1 71 71 SER N N 71 117.722 117.722 115.047 2.675 25446
2298 1 6 . 1 1 71 71 SER HA H 71 4.346 4.346 4.189 0.157 25446
2299 1 6 . 1 1 71 71 SER CB C 71 62.962 62.962 62.752 0.210 25446
2300 1 6 . 1 1 71 71 SER H H 71 8.534 8.534 7.571 0.963 25446
2301 1 6 . 1 1 72 72 ILE N N 72 127.380 127.380 121.376 6.004 25446
2302 1 6 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.667 0.258 25446
2303 1 6 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.123 1.622 25446
2304 1 6 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.574 -0.213 25446
2305 1 6 . 1 1 72 72 ILE H H 72 8.789 8.789 7.149 1.640 25446
2306 1 6 . 1 1 73 73 ASP N N 73 121.443 121.443 121.125 0.318 25446
2307 1 6 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.307 -0.295 25446
2308 1 6 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.845 1.255 25446
2309 1 6 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.868 3.812 25446
2310 1 6 . 1 1 73 73 ASP H H 73 8.699 8.699 8.348 0.351 25446
2311 1 6 . 1 1 74 74 ALA N N 74 118.799 118.799 122.335 -3.536 25446
2312 1 6 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.129 -0.090 25446
2313 1 6 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.117 0.118 25446
2314 1 6 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.375 -0.426 25446
2315 1 6 . 1 1 74 74 ALA H H 74 8.042 8.042 7.901 0.141 25446
2316 1 6 . 1 1 75 75 PHE N N 75 121.125 121.125 119.624 1.501 25446
2317 1 6 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.156 -0.111 25446
2318 1 6 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.688 -0.737 25446
2319 1 6 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.500 -0.629 25446
2320 1 6 . 1 1 75 75 PHE H H 75 8.369 8.369 7.734 0.635 25446
2321 1 6 . 1 1 76 76 VAL N N 76 120.715 120.715 118.930 1.785 25446
2322 1 6 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.577 -0.627 25446
2323 1 6 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.018 -0.189 25446
2324 1 6 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.502 -0.275 25446
2325 1 6 . 1 1 76 76 VAL H H 76 8.555 8.555 8.706 -0.151 25446
2326 1 6 . 1 1 77 77 VAL N N 77 121.286 121.286 119.327 1.959 25446
2327 1 6 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.991 -0.498 25446
2328 1 6 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.804 0.974 25446
2329 1 6 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.345 0.521 25446
2330 1 6 . 1 1 77 77 VAL H H 77 8.770 8.770 8.566 0.204 25446
2331 1 6 . 1 1 78 78 GLY N N 78 106.349 106.349 105.490 0.859 25446
2332 1 6 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.414 0.218 25446
2333 1 6 . 1 1 78 78 GLY H H 78 7.976 7.976 8.031 -0.055 25446
2334 1 6 . 1 1 79 79 ALA N N 79 120.998 120.998 121.843 -0.845 25446
2335 1 6 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.518 -0.311 25446
2336 1 6 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.479 0.317 25446
2337 1 6 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.316 -1.050 25446
2338 1 6 . 1 1 79 79 ALA H H 79 7.647 7.647 7.173 0.474 25446
2339 1 6 . 1 1 80 80 THR N N 80 107.402 107.402 114.864 -7.462 25446
2340 1 6 . 1 1 80 80 THR HA H 80 4.454 4.454 4.426 0.029 25446
2341 1 6 . 1 1 80 80 THR CA C 80 61.337 61.337 61.654 -0.316 25446
2342 1 6 . 1 1 80 80 THR CB C 80 70.703 70.703 71.192 -0.489 25446
2343 1 6 . 1 1 80 80 THR H H 80 7.469 7.469 8.230 -0.761 25446
2344 1 6 . 1 1 81 81 THR N N 81 119.746 119.746 120.614 -0.868 25446
2345 1 6 . 1 1 81 81 THR HA H 81 4.668 4.668 4.520 0.148 25446
2346 1 6 . 1 1 81 81 THR CA C 81 60.448 60.448 57.904 2.544 25446
2347 1 6 . 1 1 81 81 THR CB C 81 70.062 70.062 69.144 0.918 25446
2348 1 6 . 1 1 81 81 THR H H 81 7.684 7.684 8.189 -0.505 25446
2349 1 6 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.494 0.205 25446
2350 1 6 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.746 -0.136 25446
2351 1 6 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.622 0.382 25446
2352 1 6 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.436 0.037 25446
2353 1 6 . 1 1 83 83 PRO CA C 83 62.811 62.811 63.157 -0.346 25446
2354 1 6 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.133 -0.052 25446
2355 1 6 . 1 1 84 84 VAL N N 84 120.611 120.611 123.421 -2.810 25446
2356 1 6 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.584 -0.537 25446
2357 1 6 . 1 1 84 84 VAL CA C 84 62.313 62.313 61.914 0.399 25446
2358 1 6 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.938 -0.066 25446
2359 1 6 . 1 1 84 84 VAL H H 84 8.240 8.240 8.367 -0.127 25446
2360 1 6 . 1 1 85 85 GLU N N 85 125.076 125.076 125.379 -0.303 25446
2361 1 6 . 1 1 85 85 GLU H H 85 8.434 8.434 8.545 -0.111 25446
2362 1 6 . 1 1 86 86 ALA N N 86 126.280 126.280 124.208 2.072 25446
2363 1 6 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.340 0.948 25446
2364 1 6 . 1 1 86 86 ALA H H 86 8.340 8.340 8.777 -0.437 25446
2365 1 6 . 1 1 87 87 LYS N N 87 121.709 121.709 124.061 -2.352 25446
2366 1 6 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.425 0.779 25446
2367 1 6 . 1 1 87 87 LYS H H 87 8.334 8.334 8.682 -0.348 25446
2368 1 6 . 1 1 88 88 LEU N N 88 125.379 125.379 118.917 6.462 25446
2369 1 6 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.123 -4.123 25446
2370 1 6 . 1 1 88 88 LEU H H 88 8.435 8.435 7.813 0.622 25446
2371 1 7 . 1 1 2 2 GLN N N 2 123.771 123.771 123.029 0.742 25446
2372 1 7 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.362 -0.232 25446
2373 1 7 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.210 2.339 25446
2374 1 7 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.680 0.482 25446
2375 1 7 . 1 1 2 2 GLN H H 2 9.634 9.634 8.613 1.021 25446
2376 1 7 . 1 1 3 3 HIS N N 3 119.013 119.013 117.280 1.733 25446
2377 1 7 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.176 1.008 25446
2378 1 7 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.625 -1.622 25446
2379 1 7 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.336 3.752 25446
2380 1 7 . 1 1 3 3 HIS H H 3 9.946 9.946 8.568 1.378 25446
2381 1 7 . 1 1 4 4 ALA N N 4 122.550 122.550 121.038 1.512 25446
2382 1 7 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.985 -0.094 25446
2383 1 7 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.891 1.669 25446
2384 1 7 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.073 -0.281 25446
2385 1 7 . 1 1 4 4 ALA H H 4 7.524 7.524 8.110 -0.586 25446
2386 1 7 . 1 1 5 5 SER N N 5 112.310 112.310 111.963 0.347 25446
2387 1 7 . 1 1 5 5 SER HA H 5 4.295 4.295 4.144 0.151 25446
2388 1 7 . 1 1 5 5 SER CA C 5 62.089 62.089 61.044 1.045 25446
2389 1 7 . 1 1 5 5 SER CB C 5 62.421 62.421 62.286 0.135 25446
2390 1 7 . 1 1 5 5 SER H H 5 8.772 8.772 8.149 0.623 25446
2391 1 7 . 1 1 6 6 VAL N N 6 122.625 122.625 122.281 0.344 25446
2392 1 7 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.809 0.302 25446
2393 1 7 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.939 -0.231 25446
2394 1 7 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.294 1.446 25446
2395 1 7 . 1 1 6 6 VAL H H 6 7.657 7.657 7.408 0.249 25446
2396 1 7 . 1 1 7 7 ILE N N 7 121.536 121.536 120.644 0.892 25446
2397 1 7 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.694 0.532 25446
2398 1 7 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.991 -0.698 25446
2399 1 7 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.152 1.479 25446
2400 1 7 . 1 1 7 7 ILE H H 7 8.526 8.526 7.441 1.085 25446
2401 1 7 . 1 1 8 8 ALA N N 8 121.229 121.229 122.115 -0.886 25446
2402 1 7 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.006 -0.110 25446
2403 1 7 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.678 0.564 25446
2404 1 7 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.332 0.399 25446
2405 1 7 . 1 1 8 8 ALA H H 8 8.946 8.946 7.865 1.081 25446
2406 1 7 . 1 1 9 9 GLN N N 9 114.998 114.998 119.307 -4.309 25446
2407 1 7 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.081 -0.208 25446
2408 1 7 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.171 0.788 25446
2409 1 7 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.178 -0.365 25446
2410 1 7 . 1 1 9 9 GLN H H 9 7.731 7.731 7.997 -0.266 25446
2411 1 7 . 1 1 10 10 PHE N N 10 120.075 120.075 122.060 -1.985 25446
2412 1 7 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.321 -0.243 25446
2413 1 7 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.388 -0.535 25446
2414 1 7 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.413 -0.590 25446
2415 1 7 . 1 1 10 10 PHE H H 10 7.299 7.299 8.773 -1.474 25446
2416 1 7 . 1 1 11 11 VAL N N 11 117.458 117.458 119.422 -1.964 25446
2417 1 7 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.732 -0.425 25446
2418 1 7 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.253 -0.809 25446
2419 1 7 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.093 -0.404 25446
2420 1 7 . 1 1 11 11 VAL H H 11 8.363 8.363 8.686 -0.323 25446
2421 1 7 . 1 1 12 12 VAL N N 12 117.722 117.722 119.857 -2.135 25446
2422 1 7 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.797 0.950 25446
2423 1 7 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.230 -0.311 25446
2424 1 7 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.096 0.171 25446
2425 1 7 . 1 1 12 12 VAL H H 12 8.289 8.289 8.379 -0.090 25446
2426 1 7 . 1 1 13 13 GLU N N 13 117.827 117.827 119.880 -2.053 25446
2427 1 7 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.817 -0.075 25446
2428 1 7 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.299 -0.106 25446
2429 1 7 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.225 0.269 25446
2430 1 7 . 1 1 13 13 GLU H H 13 7.758 7.758 8.267 -0.509 25446
2431 1 7 . 1 1 14 14 GLU N N 14 113.425 113.425 119.723 -6.298 25446
2432 1 7 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.153 -0.381 25446
2433 1 7 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.458 -1.851 25446
2434 1 7 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.340 -0.841 25446
2435 1 7 . 1 1 14 14 GLU H H 14 7.604 7.604 7.670 -0.066 25446
2436 1 7 . 1 1 15 15 PHE N N 15 114.097 114.097 114.547 -0.450 25446
2437 1 7 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.797 0.144 25446
2438 1 7 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.457 2.536 25446
2439 1 7 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.297 2.696 25446
2440 1 7 . 1 1 15 15 PHE H H 15 7.916 7.916 7.459 0.457 25446
2441 1 7 . 1 1 16 16 LEU N N 16 121.405 121.405 121.537 -0.132 25446
2442 1 7 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.409 0.558 25446
2443 1 7 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.030 -0.713 25446
2444 1 7 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.569 3.166 25446
2445 1 7 . 1 1 16 16 LEU H H 16 8.046 8.046 7.354 0.692 25446
2446 1 7 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.488 -0.114 25446
2447 1 7 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.483 2.182 25446
2448 1 7 . 1 1 18 18 ASP N N 18 116.413 116.413 117.689 -1.276 25446
2449 1 7 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.471 0.113 25446
2450 1 7 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.256 0.334 25446
2451 1 7 . 1 1 18 18 ASP H H 18 8.415 8.415 8.460 -0.045 25446
2452 1 7 . 1 1 19 19 VAL N N 19 122.077 122.077 119.036 3.041 25446
2453 1 7 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.112 0.001 25446
2454 1 7 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.864 0.483 25446
2455 1 7 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.347 -0.960 25446
2456 1 7 . 1 1 19 19 VAL H H 19 7.771 7.771 7.340 0.431 25446
2457 1 7 . 1 1 20 20 ALA N N 20 129.197 129.197 130.198 -1.001 25446
2458 1 7 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.485 0.103 25446
2459 1 7 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.172 0.056 25446
2460 1 7 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.329 -0.906 25446
2461 1 7 . 1 1 20 20 ALA H H 20 8.765 8.765 8.211 0.554 25446
2462 1 7 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.051 0.023 25446
2463 1 7 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.676 0.465 25446
2464 1 7 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.582 -0.244 25446
2465 1 7 . 1 1 22 22 ALA N N 22 115.949 115.949 117.494 -1.545 25446
2466 1 7 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.096 0.021 25446
2467 1 7 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.964 -0.181 25446
2468 1 7 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.282 0.470 25446
2469 1 7 . 1 1 22 22 ALA H H 22 8.074 8.074 8.322 -0.248 25446
2470 1 7 . 1 1 23 23 ASP N N 23 115.451 115.451 116.971 -1.520 25446
2471 1 7 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.749 -0.097 25446
2472 1 7 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.856 0.588 25446
2473 1 7 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.276 -0.137 25446
2474 1 7 . 1 1 23 23 ASP H H 23 8.023 8.023 8.318 -0.295 25446
2475 1 7 . 1 1 24 24 VAL N N 24 121.382 121.382 120.864 0.518 25446
2476 1 7 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.138 -0.310 25446
2477 1 7 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.440 1.871 25446
2478 1 7 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.476 -1.612 25446
2479 1 7 . 1 1 24 24 VAL H H 24 7.072 7.072 7.396 -0.324 25446
2480 1 7 . 1 1 25 25 ASP N N 25 129.258 129.258 127.259 1.999 25446
2481 1 7 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.637 -0.065 25446
2482 1 7 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.537 -0.067 25446
2483 1 7 . 1 1 25 25 ASP H H 25 8.499 8.499 8.817 -0.318 25446
2484 1 7 . 1 1 26 26 VAL N N 26 121.736 121.736 118.965 2.771 25446
2485 1 7 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.851 0.257 25446
2486 1 7 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.743 0.733 25446
2487 1 7 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.901 -0.683 25446
2488 1 7 . 1 1 26 26 VAL H H 26 8.566 8.566 7.831 0.735 25446
2489 1 7 . 1 1 27 27 ASP N N 27 116.233 116.233 118.286 -2.053 25446
2490 1 7 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.713 0.441 25446
2491 1 7 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.236 -0.113 25446
2492 1 7 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.466 2.126 25446
2493 1 7 . 1 1 27 27 ASP H H 27 8.638 8.638 7.977 0.661 25446
2494 1 7 . 1 1 28 28 LEU N N 28 125.046 125.046 122.983 2.063 25446
2495 1 7 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.443 -0.417 25446
2496 1 7 . 1 1 28 28 LEU CA C 28 55.867 55.867 55.016 0.851 25446
2497 1 7 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.415 -0.007 25446
2498 1 7 . 1 1 28 28 LEU H H 28 7.389 7.389 7.486 -0.097 25446
2499 1 7 . 1 1 29 29 ASP N N 29 125.807 125.807 126.527 -0.720 25446
2500 1 7 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.786 0.045 25446
2501 1 7 . 1 1 29 29 ASP H H 29 8.731 8.731 8.657 0.074 25446
2502 1 7 . 1 1 30 30 LEU N N 30 130.007 130.007 121.431 8.576 25446
2503 1 7 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.382 -0.484 25446
2504 1 7 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.280 0.139 25446
2505 1 7 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.521 0.602 25446
2506 1 7 . 1 1 30 30 LEU H H 30 9.744 9.744 8.375 1.369 25446
2507 1 7 . 1 1 31 31 VAL N N 31 121.093 121.093 122.290 -1.197 25446
2508 1 7 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.631 0.595 25446
2509 1 7 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.070 -1.679 25446
2510 1 7 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.240 0.941 25446
2511 1 7 . 1 1 31 31 VAL H H 31 8.166 8.166 7.761 0.405 25446
2512 1 7 . 1 1 32 32 ASP N N 32 124.657 124.657 119.628 5.029 25446
2513 1 7 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.380 -0.016 25446
2514 1 7 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.760 0.359 25446
2515 1 7 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.659 0.101 25446
2516 1 7 . 1 1 32 32 ASP H H 32 9.365 9.365 7.983 1.382 25446
2517 1 7 . 1 1 33 33 ASN N N 33 111.260 111.260 117.559 -6.299 25446
2518 1 7 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.633 0.107 25446
2519 1 7 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.859 0.953 25446
2520 1 7 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.997 1.109 25446
2521 1 7 . 1 1 33 33 ASN H H 33 7.423 7.423 7.867 -0.444 25446
2522 1 7 . 1 1 34 34 GLY N N 34 106.935 106.935 109.567 -2.632 25446
2523 1 7 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.076 -0.452 25446
2524 1 7 . 1 1 34 34 GLY H H 34 7.648 7.648 8.518 -0.870 25446
2525 1 7 . 1 1 35 35 VAL N N 35 120.307 120.307 122.715 -2.408 25446
2526 1 7 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.628 0.152 25446
2527 1 7 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.894 0.131 25446
2528 1 7 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.966 -0.177 25446
2529 1 7 . 1 1 35 35 VAL H H 35 7.838 7.838 7.434 0.404 25446
2530 1 7 . 1 1 36 36 ILE N N 36 116.154 116.154 119.153 -2.999 25446
2531 1 7 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.666 0.093 25446
2532 1 7 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.522 -2.946 25446
2533 1 7 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.603 1.622 25446
2534 1 7 . 1 1 36 36 ILE H H 36 7.337 7.337 8.485 -1.148 25446
2535 1 7 . 1 1 37 37 ASP N N 37 126.730 126.730 120.468 6.262 25446
2536 1 7 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.778 0.951 25446
2537 1 7 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.787 -5.150 25446
2538 1 7 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.238 1.013 25446
2539 1 7 . 1 1 37 37 ASP H H 37 7.921 7.921 8.388 -0.467 25446
2540 1 7 . 1 1 38 38 SER N N 38 113.176 113.176 114.098 -0.922 25446
2541 1 7 . 1 1 38 38 SER HA H 38 4.122 4.122 4.511 -0.389 25446
2542 1 7 . 1 1 38 38 SER CA C 38 61.062 61.062 59.611 1.451 25446
2543 1 7 . 1 1 39 39 LEU N N 39 122.521 122.521 123.600 -1.079 25446
2544 1 7 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.094 0.179 25446
2545 1 7 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.267 -0.898 25446
2546 1 7 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.953 -0.694 25446
2547 1 7 . 1 1 39 39 LEU H H 39 7.675 7.675 7.719 -0.044 25446
2548 1 7 . 1 1 40 40 GLY N N 40 111.971 111.971 106.319 5.652 25446
2549 1 7 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.000 1.120 25446
2550 1 7 . 1 1 40 40 GLY H H 40 8.776 8.776 7.592 1.184 25446
2551 1 7 . 1 1 41 41 LEU N N 41 122.579 122.579 124.041 -1.462 25446
2552 1 7 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.052 -0.207 25446
2553 1 7 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.976 0.289 25446
2554 1 7 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.890 -0.311 25446
2555 1 7 . 1 1 41 41 LEU H H 41 8.551 8.551 8.531 0.020 25446
2556 1 7 . 1 1 42 42 LEU N N 42 116.126 116.126 119.470 -3.344 25446
2557 1 7 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.907 0.102 25446
2558 1 7 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.601 -0.500 25446
2559 1 7 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.674 -0.727 25446
2560 1 7 . 1 1 42 42 LEU H H 42 7.213 7.213 8.092 -0.879 25446
2561 1 7 . 1 1 43 43 LYS N N 43 119.793 119.793 119.290 0.503 25446
2562 1 7 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.044 0.238 25446
2563 1 7 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.015 -0.445 25446
2564 1 7 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.434 0.103 25446
2565 1 7 . 1 1 43 43 LYS H H 43 7.664 7.664 7.495 0.170 25446
2566 1 7 . 1 1 44 44 VAL N N 44 121.147 121.147 120.860 0.287 25446
2567 1 7 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.014 -0.077 25446
2568 1 7 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.726 0.092 25446
2569 1 7 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.585 -0.026 25446
2570 1 7 . 1 1 44 44 VAL H H 44 8.278 8.278 8.483 -0.205 25446
2571 1 7 . 1 1 45 45 ILE N N 45 119.222 119.222 121.007 -1.785 25446
2572 1 7 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.683 -0.278 25446
2573 1 7 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.018 2.043 25446
2574 1 7 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.133 1.106 25446
2575 1 7 . 1 1 45 45 ILE H H 45 8.127 8.127 8.566 -0.439 25446
2576 1 7 . 1 1 46 46 ALA N N 46 121.011 121.011 122.623 -1.612 25446
2577 1 7 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.040 0.192 25446
2578 1 7 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.375 -0.415 25446
2579 1 7 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.498 -0.158 25446
2580 1 7 . 1 1 46 46 ALA H H 46 7.811 7.811 7.923 -0.112 25446
2581 1 7 . 1 1 47 47 TRP N N 47 121.158 121.158 121.058 0.100 25446
2582 1 7 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.509 -0.274 25446
2583 1 7 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.363 2.471 25446
2584 1 7 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.587 -1.367 25446
2585 1 7 . 1 1 47 47 TRP H H 47 8.094 8.094 8.014 0.080 25446
2586 1 7 . 1 1 48 48 LEU N N 48 118.890 118.890 121.316 -2.426 25446
2587 1 7 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.235 0.338 25446
2588 1 7 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.519 -0.327 25446
2589 1 7 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.609 0.645 25446
2590 1 7 . 1 1 48 48 LEU H H 48 8.704 8.704 8.767 -0.063 25446
2591 1 7 . 1 1 49 49 GLU N N 49 118.917 118.917 117.442 1.475 25446
2592 1 7 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.027 0.019 25446
2593 1 7 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.416 0.292 25446
2594 1 7 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.950 0.666 25446
2595 1 7 . 1 1 49 49 GLU H H 49 7.808 7.808 7.944 -0.136 25446
2596 1 7 . 1 1 50 50 ASP N N 50 119.614 119.614 119.739 -0.125 25446
2597 1 7 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.482 -0.242 25446
2598 1 7 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.056 0.953 25446
2599 1 7 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.047 1.330 25446
2600 1 7 . 1 1 50 50 ASP H H 50 7.677 7.677 7.579 0.098 25446
2601 1 7 . 1 1 51 51 ARG N N 51 116.918 116.918 117.726 -0.808 25446
2602 1 7 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.024 -0.299 25446
2603 1 7 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.313 -2.025 25446
2604 1 7 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.415 -1.131 25446
2605 1 7 . 1 1 51 51 ARG H H 51 8.876 8.876 7.990 0.886 25446
2606 1 7 . 1 1 52 52 PHE N N 52 112.278 112.278 114.295 -2.017 25446
2607 1 7 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.602 0.055 25446
2608 1 7 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.343 -1.293 25446
2609 1 7 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.631 1.121 25446
2610 1 7 . 1 1 52 52 PHE H H 52 7.330 7.330 7.688 -0.358 25446
2611 1 7 . 1 1 53 53 GLY N N 53 109.717 109.717 109.019 0.698 25446
2612 1 7 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.724 0.922 25446
2613 1 7 . 1 1 53 53 GLY H H 53 7.411 7.411 7.923 -0.512 25446
2614 1 7 . 1 1 54 54 ILE N N 54 119.148 119.148 120.013 -0.865 25446
2615 1 7 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.171 -0.228 25446
2616 1 7 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.225 0.375 25446
2617 1 7 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.512 -0.003 25446
2618 1 7 . 1 1 54 54 ILE H H 54 6.901 6.901 7.969 -1.068 25446
2619 1 7 . 1 1 55 55 ALA N N 55 129.774 129.774 127.595 2.179 25446
2620 1 7 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.327 0.075 25446
2621 1 7 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.323 -0.675 25446
2622 1 7 . 1 1 55 55 ALA H H 55 8.538 8.538 8.320 0.218 25446
2623 1 7 . 1 1 56 56 ALA N N 56 126.034 126.034 126.100 -0.066 25446
2624 1 7 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.158 0.115 25446
2625 1 7 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.442 -0.830 25446
2626 1 7 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.500 0.622 25446
2627 1 7 . 1 1 56 56 ALA H H 56 8.620 8.620 8.795 -0.175 25446
2628 1 7 . 1 1 57 57 ASP N N 57 115.649 115.649 115.509 0.140 25446
2629 1 7 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.573 -0.097 25446
2630 1 7 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.172 0.998 25446
2631 1 7 . 1 1 57 57 ASP H H 57 8.321 8.321 8.385 -0.064 25446
2632 1 7 . 1 1 58 58 ASP N N 58 118.298 118.298 120.077 -1.779 25446
2633 1 7 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.445 0.223 25446
2634 1 7 . 1 1 58 58 ASP CA C 58 54.802 54.802 56.120 -1.317 25446
2635 1 7 . 1 1 58 58 ASP H H 58 7.971 7.971 7.766 0.205 25446
2636 1 7 . 1 1 59 59 VAL N N 59 118.443 118.443 113.444 4.999 25446
2637 1 7 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.386 -0.177 25446
2638 1 7 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.012 2.058 25446
2639 1 7 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.599 -1.269 25446
2640 1 7 . 1 1 59 59 VAL H H 59 7.700 7.700 7.386 0.314 25446
2641 1 7 . 1 1 60 60 GLU N N 60 122.777 122.777 122.095 0.682 25446
2642 1 7 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.574 -0.291 25446
2643 1 7 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.479 0.839 25446
2644 1 7 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.960 -1.083 25446
2645 1 7 . 1 1 60 60 GLU H H 60 8.416 8.416 8.293 0.123 25446
2646 1 7 . 1 1 61 61 LEU N N 61 124.910 124.910 124.819 0.091 25446
2647 1 7 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.505 -0.148 25446
2648 1 7 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.206 0.955 25446
2649 1 7 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.179 -1.334 25446
2650 1 7 . 1 1 61 61 LEU H H 61 8.249 8.249 8.480 -0.231 25446
2651 1 7 . 1 1 62 62 SER N N 62 118.228 118.228 118.908 -0.680 25446
2652 1 7 . 1 1 62 62 SER HA H 62 4.816 4.816 4.959 -0.143 25446
2653 1 7 . 1 1 62 62 SER CB C 62 63.963 63.963 64.540 -0.577 25446
2654 1 7 . 1 1 62 62 SER H H 62 8.025 8.025 7.970 0.055 25446
2655 1 7 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.535 -0.281 25446
2656 1 7 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.370 -0.476 25446
2657 1 7 . 1 1 64 64 GLU N N 64 116.457 116.457 117.781 -1.324 25446
2658 1 7 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.153 -0.286 25446
2659 1 7 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.215 -0.469 25446
2660 1 7 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.002 -0.295 25446
2661 1 7 . 1 1 64 64 GLU H H 64 8.310 8.310 9.066 -0.756 25446
2662 1 7 . 1 1 65 65 HIS N N 65 114.998 114.998 119.103 -4.105 25446
2663 1 7 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.263 0.034 25446
2664 1 7 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.486 -1.121 25446
2665 1 7 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.564 0.043 25446
2666 1 7 . 1 1 65 65 HIS H H 65 7.324 7.324 7.661 -0.337 25446
2667 1 7 . 1 1 66 66 PHE N N 66 115.965 115.965 114.839 1.126 25446
2668 1 7 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.688 0.094 25446
2669 1 7 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.237 -2.571 25446
2670 1 7 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.547 0.438 25446
2671 1 7 . 1 1 66 66 PHE H H 66 7.245 7.245 7.516 -0.271 25446
2672 1 7 . 1 1 67 67 ARG N N 67 112.179 112.179 118.386 -6.207 25446
2673 1 7 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.032 0.052 25446
2674 1 7 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.340 -0.049 25446
2675 1 7 . 1 1 67 67 ARG CB C 67 31.637 31.637 31.021 0.615 25446
2676 1 7 . 1 1 67 67 ARG H H 67 6.632 6.632 7.611 -0.979 25446
2677 1 7 . 1 1 68 68 SER N N 68 109.181 109.181 108.185 0.996 25446
2678 1 7 . 1 1 68 68 SER HA H 68 4.985 4.985 4.733 0.252 25446
2679 1 7 . 1 1 68 68 SER CA C 68 55.664 55.664 56.731 -1.067 25446
2680 1 7 . 1 1 68 68 SER CB C 68 67.608 67.608 66.420 1.188 25446
2681 1 7 . 1 1 68 68 SER H H 68 8.139 8.139 7.399 0.740 25446
2682 1 7 . 1 1 69 69 ILE N N 69 122.526 122.526 122.635 -0.109 25446
2683 1 7 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.856 -0.174 25446
2684 1 7 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.203 1.535 25446
2685 1 7 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.864 -0.875 25446
2686 1 7 . 1 1 69 69 ILE H H 69 9.770 9.770 9.074 0.696 25446
2687 1 7 . 1 1 70 70 ARG N N 70 118.671 118.671 119.146 -0.475 25446
2688 1 7 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.174 -0.206 25446
2689 1 7 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.493 0.835 25446
2690 1 7 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.686 0.614 25446
2691 1 7 . 1 1 70 70 ARG H H 70 8.860 8.860 8.452 0.408 25446
2692 1 7 . 1 1 71 71 SER N N 71 117.722 117.722 115.023 2.699 25446
2693 1 7 . 1 1 71 71 SER HA H 71 4.346 4.346 4.154 0.192 25446
2694 1 7 . 1 1 71 71 SER CB C 71 62.962 62.962 62.636 0.326 25446
2695 1 7 . 1 1 71 71 SER H H 71 8.534 8.534 7.626 0.908 25446
2696 1 7 . 1 1 72 72 ILE N N 72 127.380 127.380 121.683 5.697 25446
2697 1 7 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.541 0.384 25446
2698 1 7 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.315 1.430 25446
2699 1 7 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.603 -0.242 25446
2700 1 7 . 1 1 72 72 ILE H H 72 8.789 8.789 7.361 1.429 25446
2701 1 7 . 1 1 73 73 ASP N N 73 121.443 121.443 120.552 0.891 25446
2702 1 7 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.263 -0.251 25446
2703 1 7 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.662 1.438 25446
2704 1 7 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.840 3.840 25446
2705 1 7 . 1 1 73 73 ASP H H 73 8.699 8.699 8.072 0.627 25446
2706 1 7 . 1 1 74 74 ALA N N 74 118.799 118.799 122.271 -3.472 25446
2707 1 7 . 1 1 74 74 ALA HA H 74 4.039 4.039 3.988 0.051 25446
2708 1 7 . 1 1 74 74 ALA CA C 74 55.235 55.235 54.918 0.317 25446
2709 1 7 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.079 -0.130 25446
2710 1 7 . 1 1 74 74 ALA H H 74 8.042 8.042 7.499 0.543 25446
2711 1 7 . 1 1 75 75 PHE N N 75 121.125 121.125 117.943 3.182 25446
2712 1 7 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.188 -0.143 25446
2713 1 7 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.984 -1.033 25446
2714 1 7 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.782 0.089 25446
2715 1 7 . 1 1 75 75 PHE H H 75 8.369 8.369 7.516 0.853 25446
2716 1 7 . 1 1 76 76 VAL N N 76 120.715 120.715 119.116 1.599 25446
2717 1 7 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.687 -0.737 25446
2718 1 7 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.731 0.098 25446
2719 1 7 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.231 -0.004 25446
2720 1 7 . 1 1 76 76 VAL H H 76 8.555 8.555 8.571 -0.016 25446
2721 1 7 . 1 1 77 77 VAL N N 77 121.286 121.286 119.416 1.870 25446
2722 1 7 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.656 -0.163 25446
2723 1 7 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.337 0.441 25446
2724 1 7 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.038 0.828 25446
2725 1 7 . 1 1 77 77 VAL H H 77 8.770 8.770 8.528 0.242 25446
2726 1 7 . 1 1 78 78 GLY N N 78 106.349 106.349 105.766 0.583 25446
2727 1 7 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.614 0.018 25446
2728 1 7 . 1 1 78 78 GLY H H 78 7.976 7.976 8.053 -0.077 25446
2729 1 7 . 1 1 79 79 ALA N N 79 120.998 120.998 121.649 -0.651 25446
2730 1 7 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.613 -0.406 25446
2731 1 7 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.811 -0.015 25446
2732 1 7 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.841 -1.575 25446
2733 1 7 . 1 1 79 79 ALA H H 79 7.647 7.647 7.449 0.198 25446
2734 1 7 . 1 1 80 80 THR N N 80 107.402 107.402 112.389 -4.987 25446
2735 1 7 . 1 1 80 80 THR HA H 80 4.454 4.454 4.434 0.020 25446
2736 1 7 . 1 1 80 80 THR CA C 80 61.337 61.337 61.816 -0.479 25446
2737 1 7 . 1 1 80 80 THR CB C 80 70.703 70.703 69.965 0.738 25446
2738 1 7 . 1 1 80 80 THR H H 80 7.469 7.469 8.247 -0.778 25446
2739 1 7 . 1 1 81 81 THR N N 81 119.746 119.746 117.754 1.992 25446
2740 1 7 . 1 1 81 81 THR HA H 81 4.668 4.668 4.660 0.008 25446
2741 1 7 . 1 1 81 81 THR CA C 81 60.448 60.448 58.942 1.506 25446
2742 1 7 . 1 1 81 81 THR CB C 81 70.062 70.062 69.348 0.714 25446
2743 1 7 . 1 1 81 81 THR H H 81 7.684 7.684 7.977 -0.293 25446
2744 1 7 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.914 -0.215 25446
2745 1 7 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.700 0.910 25446
2746 1 7 . 1 1 82 82 PRO CB C 82 31.004 31.004 32.290 -1.286 25446
2747 1 7 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.442 0.031 25446
2748 1 7 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.389 0.422 25446
2749 1 7 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.851 -0.770 25446
2750 1 7 . 1 1 84 84 VAL N N 84 120.611 120.611 122.679 -2.068 25446
2751 1 7 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.244 -0.197 25446
2752 1 7 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.852 1.462 25446
2753 1 7 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.777 -1.905 25446
2754 1 7 . 1 1 84 84 VAL H H 84 8.240 8.240 8.099 0.141 25446
2755 1 7 . 1 1 85 85 GLU N N 85 125.076 125.076 124.564 0.512 25446
2756 1 7 . 1 1 85 85 GLU H H 85 8.434 8.434 8.844 -0.410 25446
2757 1 7 . 1 1 86 86 ALA N N 86 126.280 126.280 118.747 7.533 25446
2758 1 7 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.122 1.166 25446
2759 1 7 . 1 1 86 86 ALA H H 86 8.340 8.340 7.608 0.732 25446
2760 1 7 . 1 1 87 87 LYS N N 87 121.709 121.709 120.430 1.279 25446
2761 1 7 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.897 0.307 25446
2762 1 7 . 1 1 87 87 LYS H H 87 8.334 8.334 8.594 -0.260 25446
2763 1 7 . 1 1 88 88 LEU N N 88 125.379 125.379 125.684 -0.305 25446
2764 1 7 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.063 -4.063 25446
2765 1 7 . 1 1 88 88 LEU H H 88 8.435 8.435 8.545 -0.110 25446
2766 1 8 . 1 1 2 2 GLN N N 2 123.771 123.771 121.326 2.445 25446
2767 1 8 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.313 -0.183 25446
2768 1 8 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.598 1.951 25446
2769 1 8 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.577 1.585 25446
2770 1 8 . 1 1 2 2 GLN H H 2 9.634 9.634 8.536 1.098 25446
2771 1 8 . 1 1 3 3 HIS N N 3 119.013 119.013 120.989 -1.976 25446
2772 1 8 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.106 1.078 25446
2773 1 8 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.970 -0.967 25446
2774 1 8 . 1 1 3 3 HIS CB C 3 31.088 31.088 28.213 2.875 25446
2775 1 8 . 1 1 3 3 HIS H H 3 9.946 9.946 9.048 0.898 25446
2776 1 8 . 1 1 4 4 ALA N N 4 122.550 122.550 120.678 1.872 25446
2777 1 8 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.019 -0.128 25446
2778 1 8 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.025 1.535 25446
2779 1 8 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.007 -0.215 25446
2780 1 8 . 1 1 4 4 ALA H H 4 7.524 7.524 8.349 -0.825 25446
2781 1 8 . 1 1 5 5 SER N N 5 112.310 112.310 114.815 -2.505 25446
2782 1 8 . 1 1 5 5 SER HA H 5 4.295 4.295 4.142 0.153 25446
2783 1 8 . 1 1 5 5 SER CA C 5 62.089 62.089 61.438 0.652 25446
2784 1 8 . 1 1 5 5 SER CB C 5 62.421 62.421 62.639 -0.218 25446
2785 1 8 . 1 1 5 5 SER H H 5 8.772 8.772 8.291 0.481 25446
2786 1 8 . 1 1 6 6 VAL N N 6 122.625 122.625 122.281 0.344 25446
2787 1 8 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.800 0.311 25446
2788 1 8 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.435 -0.727 25446
2789 1 8 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.649 1.091 25446
2790 1 8 . 1 1 6 6 VAL H H 6 7.657 7.657 7.311 0.346 25446
2791 1 8 . 1 1 7 7 ILE N N 7 121.536 121.536 120.415 1.121 25446
2792 1 8 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.587 0.639 25446
2793 1 8 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.018 -0.725 25446
2794 1 8 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.285 1.346 25446
2795 1 8 . 1 1 7 7 ILE H H 7 8.526 8.526 7.417 1.109 25446
2796 1 8 . 1 1 8 8 ALA N N 8 121.229 121.229 121.284 -0.055 25446
2797 1 8 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.061 -0.165 25446
2798 1 8 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.500 0.742 25446
2799 1 8 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.291 0.440 25446
2800 1 8 . 1 1 8 8 ALA H H 8 8.946 8.946 8.010 0.936 25446
2801 1 8 . 1 1 9 9 GLN N N 9 114.998 114.998 119.161 -4.163 25446
2802 1 8 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.151 -0.278 25446
2803 1 8 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.383 0.577 25446
2804 1 8 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.260 -0.447 25446
2805 1 8 . 1 1 9 9 GLN H H 9 7.731 7.731 8.441 -0.710 25446
2806 1 8 . 1 1 10 10 PHE N N 10 120.075 120.075 122.341 -2.266 25446
2807 1 8 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.266 -0.188 25446
2808 1 8 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.870 -1.017 25446
2809 1 8 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.268 -0.445 25446
2810 1 8 . 1 1 10 10 PHE H H 10 7.299 7.299 8.792 -1.493 25446
2811 1 8 . 1 1 11 11 VAL N N 11 117.458 117.458 119.543 -2.085 25446
2812 1 8 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.925 -0.619 25446
2813 1 8 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.684 0.760 25446
2814 1 8 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.570 -0.882 25446
2815 1 8 . 1 1 11 11 VAL H H 11 8.363 8.363 7.798 0.565 25446
2816 1 8 . 1 1 12 12 VAL N N 12 117.722 117.722 119.821 -2.099 25446
2817 1 8 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.700 0.047 25446
2818 1 8 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.237 -1.318 25446
2819 1 8 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.788 -0.521 25446
2820 1 8 . 1 1 12 12 VAL H H 12 8.289 8.289 8.024 0.265 25446
2821 1 8 . 1 1 13 13 GLU N N 13 117.827 117.827 119.669 -1.842 25446
2822 1 8 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.941 -0.199 25446
2823 1 8 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.306 -0.113 25446
2824 1 8 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.440 0.054 25446
2825 1 8 . 1 1 13 13 GLU H H 13 7.758 7.758 8.417 -0.659 25446
2826 1 8 . 1 1 14 14 GLU N N 14 113.425 113.425 117.856 -4.431 25446
2827 1 8 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.810 -0.038 25446
2828 1 8 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.062 -1.455 25446
2829 1 8 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.335 0.164 25446
2830 1 8 . 1 1 14 14 GLU H H 14 7.604 7.604 7.688 -0.084 25446
2831 1 8 . 1 1 15 15 PHE N N 15 114.097 114.097 114.963 -0.866 25446
2832 1 8 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.642 0.299 25446
2833 1 8 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.106 -1.113 25446
2834 1 8 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.817 1.175 25446
2835 1 8 . 1 1 15 15 PHE H H 15 7.916 7.916 7.276 0.640 25446
2836 1 8 . 1 1 16 16 LEU N N 16 121.405 121.405 120.912 0.493 25446
2837 1 8 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.808 0.159 25446
2838 1 8 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.732 -0.415 25446
2839 1 8 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.591 1.144 25446
2840 1 8 . 1 1 16 16 LEU H H 16 8.046 8.046 8.186 -0.140 25446
2841 1 8 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.623 -0.249 25446
2842 1 8 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.276 1.389 25446
2843 1 8 . 1 1 18 18 ASP N N 18 116.413 116.413 118.504 -2.091 25446
2844 1 8 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.607 -0.023 25446
2845 1 8 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.542 0.048 25446
2846 1 8 . 1 1 18 18 ASP H H 18 8.415 8.415 8.718 -0.303 25446
2847 1 8 . 1 1 19 19 VAL N N 19 122.077 122.077 119.463 2.614 25446
2848 1 8 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.166 -0.053 25446
2849 1 8 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.817 0.530 25446
2850 1 8 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.842 -1.455 25446
2851 1 8 . 1 1 19 19 VAL H H 19 7.771 7.771 7.117 0.654 25446
2852 1 8 . 1 1 20 20 ALA N N 20 129.197 129.197 128.298 0.899 25446
2853 1 8 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.384 0.204 25446
2854 1 8 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.880 -0.652 25446
2855 1 8 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.088 -0.665 25446
2856 1 8 . 1 1 20 20 ALA H H 20 8.765 8.765 8.510 0.255 25446
2857 1 8 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.249 -0.175 25446
2858 1 8 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.207 0.934 25446
2859 1 8 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.979 -0.641 25446
2860 1 8 . 1 1 22 22 ALA N N 22 115.949 115.949 118.173 -2.224 25446
2861 1 8 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.223 -0.106 25446
2862 1 8 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.835 -0.052 25446
2863 1 8 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.373 0.379 25446
2864 1 8 . 1 1 22 22 ALA H H 22 8.074 8.074 8.023 0.051 25446
2865 1 8 . 1 1 23 23 ASP N N 23 115.451 115.451 117.539 -2.088 25446
2866 1 8 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.769 -0.117 25446
2867 1 8 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.187 0.257 25446
2868 1 8 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.312 -0.172 25446
2869 1 8 . 1 1 23 23 ASP H H 23 8.023 8.023 7.750 0.273 25446
2870 1 8 . 1 1 24 24 VAL N N 24 121.382 121.382 120.579 0.803 25446
2871 1 8 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.154 -0.326 25446
2872 1 8 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.379 1.932 25446
2873 1 8 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.127 -1.263 25446
2874 1 8 . 1 1 24 24 VAL H H 24 7.072 7.072 7.367 -0.295 25446
2875 1 8 . 1 1 25 25 ASP N N 25 129.258 129.258 126.206 3.052 25446
2876 1 8 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.565 0.007 25446
2877 1 8 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.023 0.447 25446
2878 1 8 . 1 1 25 25 ASP H H 25 8.499 8.499 8.748 -0.249 25446
2879 1 8 . 1 1 26 26 VAL N N 26 121.736 121.736 121.370 0.366 25446
2880 1 8 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.915 0.193 25446
2881 1 8 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.321 1.155 25446
2882 1 8 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.364 -0.147 25446
2883 1 8 . 1 1 26 26 VAL H H 26 8.566 8.566 8.046 0.520 25446
2884 1 8 . 1 1 27 27 ASP N N 27 116.233 116.233 118.358 -2.125 25446
2885 1 8 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.694 0.460 25446
2886 1 8 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.482 -0.359 25446
2887 1 8 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.729 1.863 25446
2888 1 8 . 1 1 27 27 ASP H H 27 8.638 8.638 7.827 0.811 25446
2889 1 8 . 1 1 28 28 LEU N N 28 125.046 125.046 122.783 2.263 25446
2890 1 8 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.406 -0.380 25446
2891 1 8 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.491 1.376 25446
2892 1 8 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.673 -0.265 25446
2893 1 8 . 1 1 28 28 LEU H H 28 7.389 7.389 7.401 -0.012 25446
2894 1 8 . 1 1 29 29 ASP N N 29 125.807 125.807 125.736 0.071 25446
2895 1 8 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.659 0.172 25446
2896 1 8 . 1 1 29 29 ASP H H 29 8.731 8.731 8.554 0.177 25446
2897 1 8 . 1 1 30 30 LEU N N 30 130.007 130.007 123.900 6.107 25446
2898 1 8 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.146 -0.248 25446
2899 1 8 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.431 -0.012 25446
2900 1 8 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.493 0.630 25446
2901 1 8 . 1 1 30 30 LEU H H 30 9.744 9.744 8.408 1.336 25446
2902 1 8 . 1 1 31 31 VAL N N 31 121.093 121.093 122.026 -0.933 25446
2903 1 8 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.579 0.647 25446
2904 1 8 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.941 -1.550 25446
2905 1 8 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.703 0.478 25446
2906 1 8 . 1 1 31 31 VAL H H 31 8.166 8.166 7.794 0.372 25446
2907 1 8 . 1 1 32 32 ASP N N 32 124.657 124.657 119.792 4.865 25446
2908 1 8 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.374 -0.010 25446
2909 1 8 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.023 0.096 25446
2910 1 8 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.033 0.727 25446
2911 1 8 . 1 1 32 32 ASP H H 32 9.365 9.365 8.033 1.332 25446
2912 1 8 . 1 1 33 33 ASN N N 33 111.260 111.260 117.646 -6.386 25446
2913 1 8 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.601 0.139 25446
2914 1 8 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.855 0.957 25446
2915 1 8 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.058 1.048 25446
2916 1 8 . 1 1 33 33 ASN H H 33 7.423 7.423 8.008 -0.585 25446
2917 1 8 . 1 1 34 34 GLY N N 34 106.935 106.935 109.716 -2.781 25446
2918 1 8 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.978 -0.354 25446
2919 1 8 . 1 1 34 34 GLY H H 34 7.648 7.648 8.553 -0.905 25446
2920 1 8 . 1 1 35 35 VAL N N 35 120.307 120.307 122.513 -2.206 25446
2921 1 8 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.640 0.140 25446
2922 1 8 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.847 0.178 25446
2923 1 8 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.759 0.031 25446
2924 1 8 . 1 1 35 35 VAL H H 35 7.838 7.838 7.451 0.387 25446
2925 1 8 . 1 1 36 36 ILE N N 36 116.154 116.154 119.363 -3.209 25446
2926 1 8 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.921 -0.162 25446
2927 1 8 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.605 -3.029 25446
2928 1 8 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.876 1.349 25446
2929 1 8 . 1 1 36 36 ILE H H 36 7.337 7.337 8.725 -1.388 25446
2930 1 8 . 1 1 37 37 ASP N N 37 126.730 126.730 120.354 6.376 25446
2931 1 8 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.740 0.989 25446
2932 1 8 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.726 -5.089 25446
2933 1 8 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.152 1.099 25446
2934 1 8 . 1 1 37 37 ASP H H 37 7.921 7.921 8.203 -0.282 25446
2935 1 8 . 1 1 38 38 SER N N 38 113.176 113.176 113.771 -0.595 25446
2936 1 8 . 1 1 38 38 SER HA H 38 4.122 4.122 4.553 -0.431 25446
2937 1 8 . 1 1 38 38 SER CA C 38 61.062 61.062 60.020 1.042 25446
2938 1 8 . 1 1 39 39 LEU N N 39 122.521 122.521 122.864 -0.343 25446
2939 1 8 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.117 0.156 25446
2940 1 8 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.451 -1.081 25446
2941 1 8 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.962 -0.703 25446
2942 1 8 . 1 1 39 39 LEU H H 39 7.675 7.675 7.780 -0.105 25446
2943 1 8 . 1 1 40 40 GLY N N 40 111.971 111.971 106.502 5.469 25446
2944 1 8 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.984 1.136 25446
2945 1 8 . 1 1 40 40 GLY H H 40 8.776 8.776 7.629 1.147 25446
2946 1 8 . 1 1 41 41 LEU N N 41 122.579 122.579 123.682 -1.103 25446
2947 1 8 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.149 -0.304 25446
2948 1 8 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.839 0.426 25446
2949 1 8 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.032 -0.453 25446
2950 1 8 . 1 1 41 41 LEU H H 41 8.551 8.551 8.492 0.059 25446
2951 1 8 . 1 1 42 42 LEU N N 42 116.126 116.126 119.364 -3.238 25446
2952 1 8 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.915 0.094 25446
2953 1 8 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.617 -0.516 25446
2954 1 8 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.714 -0.767 25446
2955 1 8 . 1 1 42 42 LEU H H 42 7.213 7.213 8.081 -0.868 25446
2956 1 8 . 1 1 43 43 LYS N N 43 119.793 119.793 118.983 0.810 25446
2957 1 8 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.068 0.214 25446
2958 1 8 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.897 -0.327 25446
2959 1 8 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.392 0.145 25446
2960 1 8 . 1 1 43 43 LYS H H 43 7.664 7.664 7.503 0.161 25446
2961 1 8 . 1 1 44 44 VAL N N 44 121.147 121.147 121.522 -0.375 25446
2962 1 8 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.957 -0.020 25446
2963 1 8 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.943 -0.125 25446
2964 1 8 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.568 -0.009 25446
2965 1 8 . 1 1 44 44 VAL H H 44 8.278 8.278 8.379 -0.101 25446
2966 1 8 . 1 1 45 45 ILE N N 45 119.222 119.222 120.115 -0.893 25446
2967 1 8 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.666 -0.261 25446
2968 1 8 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.371 2.690 25446
2969 1 8 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.964 2.275 25446
2970 1 8 . 1 1 45 45 ILE H H 45 8.127 8.127 8.473 -0.346 25446
2971 1 8 . 1 1 46 46 ALA N N 46 121.011 121.011 122.636 -1.625 25446
2972 1 8 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.164 0.068 25446
2973 1 8 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.114 -0.154 25446
2974 1 8 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.439 -0.099 25446
2975 1 8 . 1 1 46 46 ALA H H 46 7.811 7.811 7.741 0.070 25446
2976 1 8 . 1 1 47 47 TRP N N 47 121.158 121.158 121.112 0.046 25446
2977 1 8 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.518 -0.283 25446
2978 1 8 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.263 2.571 25446
2979 1 8 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.614 -1.394 25446
2980 1 8 . 1 1 47 47 TRP H H 47 8.094 8.094 8.209 -0.115 25446
2981 1 8 . 1 1 48 48 LEU N N 48 118.890 118.890 121.274 -2.384 25446
2982 1 8 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.226 0.347 25446
2983 1 8 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.319 -0.127 25446
2984 1 8 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.484 0.770 25446
2985 1 8 . 1 1 48 48 LEU H H 48 8.704 8.704 8.682 0.022 25446
2986 1 8 . 1 1 49 49 GLU N N 49 118.917 118.917 118.160 0.757 25446
2987 1 8 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.981 0.065 25446
2988 1 8 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.379 0.329 25446
2989 1 8 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.616 1.000 25446
2990 1 8 . 1 1 49 49 GLU H H 49 7.808 7.808 8.149 -0.341 25446
2991 1 8 . 1 1 50 50 ASP N N 50 119.614 119.614 120.235 -0.621 25446
2992 1 8 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.445 -0.205 25446
2993 1 8 . 1 1 50 50 ASP CA C 50 57.009 57.009 55.880 1.129 25446
2994 1 8 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.942 1.435 25446
2995 1 8 . 1 1 50 50 ASP H H 50 7.677 7.677 7.604 0.073 25446
2996 1 8 . 1 1 51 51 ARG N N 51 116.918 116.918 118.339 -1.421 25446
2997 1 8 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.012 -0.287 25446
2998 1 8 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.497 -2.209 25446
2999 1 8 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.488 -1.204 25446
3000 1 8 . 1 1 51 51 ARG H H 51 8.876 8.876 7.890 0.986 25446
3001 1 8 . 1 1 52 52 PHE N N 52 112.278 112.278 113.926 -1.648 25446
3002 1 8 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.651 0.006 25446
3003 1 8 . 1 1 52 52 PHE CA C 52 57.050 57.050 57.935 -0.885 25446
3004 1 8 . 1 1 52 52 PHE CB C 52 40.752 40.752 40.598 0.154 25446
3005 1 8 . 1 1 52 52 PHE H H 52 7.330 7.330 7.648 -0.318 25446
3006 1 8 . 1 1 53 53 GLY N N 53 109.717 109.717 109.933 -0.216 25446
3007 1 8 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.681 0.965 25446
3008 1 8 . 1 1 53 53 GLY H H 53 7.411 7.411 8.477 -1.066 25446
3009 1 8 . 1 1 54 54 ILE N N 54 119.148 119.148 120.555 -1.407 25446
3010 1 8 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.182 -0.239 25446
3011 1 8 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.343 0.257 25446
3012 1 8 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.416 0.093 25446
3013 1 8 . 1 1 54 54 ILE H H 54 6.901 6.901 7.500 -0.599 25446
3014 1 8 . 1 1 55 55 ALA N N 55 129.774 129.774 128.716 1.058 25446
3015 1 8 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.288 0.114 25446
3016 1 8 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.419 -0.771 25446
3017 1 8 . 1 1 55 55 ALA H H 55 8.538 8.538 8.221 0.317 25446
3018 1 8 . 1 1 56 56 ALA N N 56 126.034 126.034 123.825 2.209 25446
3019 1 8 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.134 0.139 25446
3020 1 8 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.223 0.389 25446
3021 1 8 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.962 0.160 25446
3022 1 8 . 1 1 56 56 ALA H H 56 8.620 8.620 8.340 0.280 25446
3023 1 8 . 1 1 57 57 ASP N N 57 115.649 115.649 115.461 0.188 25446
3024 1 8 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.448 0.028 25446
3025 1 8 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.603 0.567 25446
3026 1 8 . 1 1 57 57 ASP H H 57 8.321 8.321 8.433 -0.112 25446
3027 1 8 . 1 1 58 58 ASP N N 58 118.298 118.298 114.727 3.571 25446
3028 1 8 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.461 0.207 25446
3029 1 8 . 1 1 58 58 ASP CA C 58 54.802 54.802 53.820 0.982 25446
3030 1 8 . 1 1 58 58 ASP H H 58 7.971 7.971 8.402 -0.431 25446
3031 1 8 . 1 1 59 59 VAL N N 59 118.443 118.443 119.783 -1.340 25446
3032 1 8 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.830 0.379 25446
3033 1 8 . 1 1 59 59 VAL CA C 59 62.070 62.070 64.103 -2.033 25446
3034 1 8 . 1 1 59 59 VAL CB C 59 33.330 33.330 31.955 1.375 25446
3035 1 8 . 1 1 59 59 VAL H H 59 7.700 7.700 7.784 -0.084 25446
3036 1 8 . 1 1 60 60 GLU N N 60 122.777 122.777 119.290 3.487 25446
3037 1 8 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.442 -0.159 25446
3038 1 8 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.010 0.308 25446
3039 1 8 . 1 1 60 60 GLU CB C 60 29.877 29.877 29.955 -0.078 25446
3040 1 8 . 1 1 60 60 GLU H H 60 8.416 8.416 8.156 0.260 25446
3041 1 8 . 1 1 61 61 LEU N N 61 124.910 124.910 123.885 1.025 25446
3042 1 8 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.688 -0.331 25446
3043 1 8 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.539 0.623 25446
3044 1 8 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.377 -1.532 25446
3045 1 8 . 1 1 61 61 LEU H H 61 8.249 8.249 8.484 -0.235 25446
3046 1 8 . 1 1 62 62 SER N N 62 118.228 118.228 117.002 1.226 25446
3047 1 8 . 1 1 62 62 SER HA H 62 4.816 4.816 5.013 -0.197 25446
3048 1 8 . 1 1 62 62 SER CB C 62 63.963 63.963 65.079 -1.115 25446
3049 1 8 . 1 1 62 62 SER H H 62 8.025 8.025 8.249 -0.224 25446
3050 1 8 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.615 -0.361 25446
3051 1 8 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.913 -0.019 25446
3052 1 8 . 1 1 64 64 GLU N N 64 116.457 116.457 118.457 -2.000 25446
3053 1 8 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.113 -0.246 25446
3054 1 8 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.355 -0.609 25446
3055 1 8 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.986 -0.279 25446
3056 1 8 . 1 1 64 64 GLU H H 64 8.310 8.310 8.992 -0.682 25446
3057 1 8 . 1 1 65 65 HIS N N 65 114.998 114.998 119.232 -4.234 25446
3058 1 8 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.192 0.105 25446
3059 1 8 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.067 -0.702 25446
3060 1 8 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.622 -0.015 25446
3061 1 8 . 1 1 65 65 HIS H H 65 7.324 7.324 7.734 -0.410 25446
3062 1 8 . 1 1 66 66 PHE N N 66 115.965 115.965 114.317 1.648 25446
3063 1 8 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.505 0.277 25446
3064 1 8 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.162 -2.496 25446
3065 1 8 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.806 0.178 25446
3066 1 8 . 1 1 66 66 PHE H H 66 7.245 7.245 7.631 -0.386 25446
3067 1 8 . 1 1 67 67 ARG N N 67 112.179 112.179 119.949 -7.770 25446
3068 1 8 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.989 0.095 25446
3069 1 8 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.361 -0.070 25446
3070 1 8 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.832 0.805 25446
3071 1 8 . 1 1 67 67 ARG H H 67 6.632 6.632 7.551 -0.919 25446
3072 1 8 . 1 1 68 68 SER N N 68 109.181 109.181 108.172 1.009 25446
3073 1 8 . 1 1 68 68 SER HA H 68 4.985 4.985 4.649 0.336 25446
3074 1 8 . 1 1 68 68 SER CA C 68 55.664 55.664 56.616 -0.952 25446
3075 1 8 . 1 1 68 68 SER CB C 68 67.608 67.608 66.186 1.423 25446
3076 1 8 . 1 1 68 68 SER H H 68 8.139 8.139 7.416 0.723 25446
3077 1 8 . 1 1 69 69 ILE N N 69 122.526 122.526 123.145 -0.619 25446
3078 1 8 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.727 -0.045 25446
3079 1 8 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.016 1.722 25446
3080 1 8 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.814 -0.826 25446
3081 1 8 . 1 1 69 69 ILE H H 69 9.770 9.770 8.889 0.881 25446
3082 1 8 . 1 1 70 70 ARG N N 70 118.671 118.671 119.151 -0.480 25446
3083 1 8 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.956 0.012 25446
3084 1 8 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.747 0.582 25446
3085 1 8 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.588 0.712 25446
3086 1 8 . 1 1 70 70 ARG H H 70 8.860 8.860 8.450 0.410 25446
3087 1 8 . 1 1 71 71 SER N N 71 117.722 117.722 115.248 2.474 25446
3088 1 8 . 1 1 71 71 SER HA H 71 4.346 4.346 4.166 0.180 25446
3089 1 8 . 1 1 71 71 SER CB C 71 62.962 62.962 62.825 0.137 25446
3090 1 8 . 1 1 71 71 SER H H 71 8.534 8.534 7.630 0.904 25446
3091 1 8 . 1 1 72 72 ILE N N 72 127.380 127.380 121.373 6.007 25446
3092 1 8 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.458 0.467 25446
3093 1 8 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.975 1.770 25446
3094 1 8 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.509 -0.148 25446
3095 1 8 . 1 1 72 72 ILE H H 72 8.789 8.789 7.101 1.688 25446
3096 1 8 . 1 1 73 73 ASP N N 73 121.443 121.443 120.991 0.452 25446
3097 1 8 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.219 -0.207 25446
3098 1 8 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.418 1.682 25446
3099 1 8 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.549 3.131 25446
3100 1 8 . 1 1 73 73 ASP H H 73 8.699 8.699 8.218 0.481 25446
3101 1 8 . 1 1 74 74 ALA N N 74 118.799 118.799 121.799 -3.000 25446
3102 1 8 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.066 -0.027 25446
3103 1 8 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.084 0.151 25446
3104 1 8 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.247 -0.298 25446
3105 1 8 . 1 1 74 74 ALA H H 74 8.042 8.042 7.858 0.184 25446
3106 1 8 . 1 1 75 75 PHE N N 75 121.125 121.125 119.627 1.498 25446
3107 1 8 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.121 -0.076 25446
3108 1 8 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.726 -0.775 25446
3109 1 8 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.484 -0.613 25446
3110 1 8 . 1 1 75 75 PHE H H 75 8.369 8.369 7.690 0.679 25446
3111 1 8 . 1 1 76 76 VAL N N 76 120.715 120.715 119.150 1.565 25446
3112 1 8 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.483 -0.533 25446
3113 1 8 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.170 -0.341 25446
3114 1 8 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.851 -0.624 25446
3115 1 8 . 1 1 76 76 VAL H H 76 8.555 8.555 8.470 0.085 25446
3116 1 8 . 1 1 77 77 VAL N N 77 121.286 121.286 119.606 1.680 25446
3117 1 8 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.583 -0.090 25446
3118 1 8 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.865 0.913 25446
3119 1 8 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.142 0.724 25446
3120 1 8 . 1 1 77 77 VAL H H 77 8.770 8.770 8.452 0.318 25446
3121 1 8 . 1 1 78 78 GLY N N 78 106.349 106.349 105.928 0.421 25446
3122 1 8 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.537 0.095 25446
3123 1 8 . 1 1 78 78 GLY H H 78 7.976 7.976 8.114 -0.138 25446
3124 1 8 . 1 1 79 79 ALA N N 79 120.998 120.998 121.485 -0.487 25446
3125 1 8 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.485 -0.278 25446
3126 1 8 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.675 0.121 25446
3127 1 8 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.646 -1.380 25446
3128 1 8 . 1 1 79 79 ALA H H 79 7.647 7.647 7.258 0.389 25446
3129 1 8 . 1 1 80 80 THR N N 80 107.402 107.402 112.552 -5.150 25446
3130 1 8 . 1 1 80 80 THR HA H 80 4.454 4.454 4.381 0.073 25446
3131 1 8 . 1 1 80 80 THR CA C 80 61.337 61.337 61.635 -0.298 25446
3132 1 8 . 1 1 80 80 THR CB C 80 70.703 70.703 69.885 0.818 25446
3133 1 8 . 1 1 80 80 THR H H 80 7.469 7.469 8.214 -0.745 25446
3134 1 8 . 1 1 81 81 THR N N 81 119.746 119.746 117.991 1.755 25446
3135 1 8 . 1 1 81 81 THR HA H 81 4.668 4.668 4.644 0.024 25446
3136 1 8 . 1 1 81 81 THR CA C 81 60.448 60.448 58.370 2.078 25446
3137 1 8 . 1 1 81 81 THR CB C 81 70.062 70.062 69.342 0.720 25446
3138 1 8 . 1 1 81 81 THR H H 81 7.684 7.684 7.977 -0.293 25446
3139 1 8 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.891 -0.192 25446
3140 1 8 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.757 0.853 25446
3141 1 8 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.324 -0.320 25446
3142 1 8 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.522 -0.049 25446
3143 1 8 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.242 0.569 25446
3144 1 8 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.373 -0.292 25446
3145 1 8 . 1 1 84 84 VAL N N 84 120.611 120.611 119.118 1.493 25446
3146 1 8 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.518 -0.471 25446
3147 1 8 . 1 1 84 84 VAL CA C 84 62.313 62.313 59.672 2.641 25446
3148 1 8 . 1 1 84 84 VAL CB C 84 32.872 32.872 35.294 -2.422 25446
3149 1 8 . 1 1 84 84 VAL H H 84 8.240 8.240 8.103 0.137 25446
3150 1 8 . 1 1 85 85 GLU N N 85 125.076 125.076 125.656 -0.580 25446
3151 1 8 . 1 1 85 85 GLU H H 85 8.434 8.434 8.907 -0.473 25446
3152 1 8 . 1 1 86 86 ALA N N 86 126.280 126.280 117.037 9.243 25446
3153 1 8 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.036 1.252 25446
3154 1 8 . 1 1 86 86 ALA H H 86 8.340 8.340 7.346 0.994 25446
3155 1 8 . 1 1 87 87 LYS N N 87 121.709 121.709 122.312 -0.603 25446
3156 1 8 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.311 0.893 25446
3157 1 8 . 1 1 87 87 LYS H H 87 8.334 8.334 9.461 -1.127 25446
3158 1 8 . 1 1 88 88 LEU N N 88 125.379 125.379 118.085 7.294 25446
3159 1 8 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.880 -3.880 25446
3160 1 8 . 1 1 88 88 LEU H H 88 8.435 8.435 8.204 0.231 25446
3161 1 9 . 1 1 2 2 GLN N N 2 123.771 123.771 119.233 4.538 25446
3162 1 9 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.124 0.006 25446
3163 1 9 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.083 -0.534 25446
3164 1 9 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.041 1.121 25446
3165 1 9 . 1 1 2 2 GLN H H 2 9.634 9.634 8.568 1.066 25446
3166 1 9 . 1 1 3 3 HIS N N 3 119.013 119.013 114.432 4.581 25446
3167 1 9 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.781 0.403 25446
3168 1 9 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.535 -0.532 25446
3169 1 9 . 1 1 3 3 HIS CB C 3 31.088 31.088 31.969 -0.881 25446
3170 1 9 . 1 1 3 3 HIS H H 3 9.946 9.946 7.944 2.002 25446
3171 1 9 . 1 1 4 4 ALA N N 4 122.550 122.550 123.686 -1.136 25446
3172 1 9 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.042 -0.151 25446
3173 1 9 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.309 1.251 25446
3174 1 9 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.489 0.303 25446
3175 1 9 . 1 1 4 4 ALA H H 4 7.524 7.524 7.793 -0.269 25446
3176 1 9 . 1 1 5 5 SER N N 5 112.310 112.310 113.792 -1.482 25446
3177 1 9 . 1 1 5 5 SER HA H 5 4.295 4.295 4.134 0.161 25446
3178 1 9 . 1 1 5 5 SER CA C 5 62.089 62.089 61.773 0.316 25446
3179 1 9 . 1 1 5 5 SER CB C 5 62.421 62.421 62.808 -0.387 25446
3180 1 9 . 1 1 5 5 SER H H 5 8.772 8.772 8.361 0.411 25446
3181 1 9 . 1 1 6 6 VAL N N 6 122.625 122.625 121.859 0.766 25446
3182 1 9 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.792 0.319 25446
3183 1 9 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.131 0.577 25446
3184 1 9 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.029 1.711 25446
3185 1 9 . 1 1 6 6 VAL H H 6 7.657 7.657 7.223 0.434 25446
3186 1 9 . 1 1 7 7 ILE N N 7 121.536 121.536 121.017 0.519 25446
3187 1 9 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.648 0.578 25446
3188 1 9 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.135 -0.842 25446
3189 1 9 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.240 1.391 25446
3190 1 9 . 1 1 7 7 ILE H H 7 8.526 8.526 7.622 0.904 25446
3191 1 9 . 1 1 8 8 ALA N N 8 121.229 121.229 121.421 -0.192 25446
3192 1 9 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.993 -0.097 25446
3193 1 9 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.502 0.740 25446
3194 1 9 . 1 1 8 8 ALA CB C 8 18.731 18.731 17.967 0.764 25446
3195 1 9 . 1 1 8 8 ALA H H 8 8.946 8.946 8.103 0.843 25446
3196 1 9 . 1 1 9 9 GLN N N 9 114.998 114.998 119.123 -4.125 25446
3197 1 9 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.062 -0.189 25446
3198 1 9 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.831 0.128 25446
3199 1 9 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.858 -1.046 25446
3200 1 9 . 1 1 9 9 GLN H H 9 7.731 7.731 7.880 -0.149 25446
3201 1 9 . 1 1 10 10 PHE N N 10 120.075 120.075 121.268 -1.193 25446
3202 1 9 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.201 -0.123 25446
3203 1 9 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.356 -0.503 25446
3204 1 9 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.397 -0.574 25446
3205 1 9 . 1 1 10 10 PHE H H 10 7.299 7.299 8.860 -1.561 25446
3206 1 9 . 1 1 11 11 VAL N N 11 117.458 117.458 118.219 -0.761 25446
3207 1 9 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.696 -0.389 25446
3208 1 9 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.145 -0.701 25446
3209 1 9 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.848 -0.160 25446
3210 1 9 . 1 1 11 11 VAL H H 11 8.363 8.363 8.395 -0.032 25446
3211 1 9 . 1 1 12 12 VAL N N 12 117.722 117.722 115.941 1.781 25446
3212 1 9 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.909 -0.162 25446
3213 1 9 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.874 0.045 25446
3214 1 9 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.976 0.291 25446
3215 1 9 . 1 1 12 12 VAL H H 12 8.289 8.289 8.002 0.287 25446
3216 1 9 . 1 1 13 13 GLU N N 13 117.827 117.827 120.549 -2.722 25446
3217 1 9 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.891 -0.149 25446
3218 1 9 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.168 0.025 25446
3219 1 9 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.060 0.434 25446
3220 1 9 . 1 1 13 13 GLU H H 13 7.758 7.758 8.148 -0.390 25446
3221 1 9 . 1 1 14 14 GLU N N 14 113.425 113.425 117.543 -4.118 25446
3222 1 9 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.661 0.111 25446
3223 1 9 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.477 -0.870 25446
3224 1 9 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.353 0.146 25446
3225 1 9 . 1 1 14 14 GLU H H 14 7.604 7.604 7.274 0.330 25446
3226 1 9 . 1 1 15 15 PHE N N 15 114.097 114.097 113.857 0.240 25446
3227 1 9 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.717 0.224 25446
3228 1 9 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.245 2.748 25446
3229 1 9 . 1 1 15 15 PHE CB C 15 41.992 41.992 38.047 3.945 25446
3230 1 9 . 1 1 15 15 PHE H H 15 7.916 7.916 7.389 0.527 25446
3231 1 9 . 1 1 16 16 LEU N N 16 121.405 121.405 121.220 0.185 25446
3232 1 9 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.769 0.198 25446
3233 1 9 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.951 -0.634 25446
3234 1 9 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.535 3.200 25446
3235 1 9 . 1 1 16 16 LEU H H 16 8.046 8.046 7.880 0.166 25446
3236 1 9 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.428 -0.054 25446
3237 1 9 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.474 2.191 25446
3238 1 9 . 1 1 18 18 ASP N N 18 116.413 116.413 118.611 -2.198 25446
3239 1 9 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.630 -0.046 25446
3240 1 9 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.447 0.143 25446
3241 1 9 . 1 1 18 18 ASP H H 18 8.415 8.415 8.459 -0.044 25446
3242 1 9 . 1 1 19 19 VAL N N 19 122.077 122.077 119.158 2.919 25446
3243 1 9 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.080 0.033 25446
3244 1 9 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.742 0.605 25446
3245 1 9 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.858 -0.471 25446
3246 1 9 . 1 1 19 19 VAL H H 19 7.771 7.771 7.392 0.379 25446
3247 1 9 . 1 1 20 20 ALA N N 20 129.197 129.197 130.390 -1.193 25446
3248 1 9 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.600 -0.012 25446
3249 1 9 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.146 0.082 25446
3250 1 9 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.314 -0.891 25446
3251 1 9 . 1 1 20 20 ALA H H 20 8.765 8.765 8.447 0.318 25446
3252 1 9 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.112 -0.038 25446
3253 1 9 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.638 0.504 25446
3254 1 9 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.925 -0.587 25446
3255 1 9 . 1 1 22 22 ALA N N 22 115.949 115.949 115.543 0.406 25446
3256 1 9 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.166 -0.049 25446
3257 1 9 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.801 -0.018 25446
3258 1 9 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.391 0.361 25446
3259 1 9 . 1 1 22 22 ALA H H 22 8.074 8.074 7.850 0.224 25446
3260 1 9 . 1 1 23 23 ASP N N 23 115.451 115.451 117.324 -1.873 25446
3261 1 9 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.745 -0.093 25446
3262 1 9 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.910 0.534 25446
3263 1 9 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.365 -0.225 25446
3264 1 9 . 1 1 23 23 ASP H H 23 8.023 8.023 8.417 -0.394 25446
3265 1 9 . 1 1 24 24 VAL N N 24 121.382 121.382 121.077 0.305 25446
3266 1 9 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.114 -0.286 25446
3267 1 9 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.187 1.124 25446
3268 1 9 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.380 -1.516 25446
3269 1 9 . 1 1 24 24 VAL H H 24 7.072 7.072 7.368 -0.296 25446
3270 1 9 . 1 1 25 25 ASP N N 25 129.258 129.258 128.158 1.100 25446
3271 1 9 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.650 -0.078 25446
3272 1 9 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.189 0.281 25446
3273 1 9 . 1 1 25 25 ASP H H 25 8.499 8.499 8.851 -0.352 25446
3274 1 9 . 1 1 26 26 VAL N N 26 121.736 121.736 119.363 2.373 25446
3275 1 9 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.856 0.252 25446
3276 1 9 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.839 0.637 25446
3277 1 9 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.505 -0.288 25446
3278 1 9 . 1 1 26 26 VAL H H 26 8.566 8.566 7.953 0.613 25446
3279 1 9 . 1 1 27 27 ASP N N 27 116.233 116.233 118.139 -1.906 25446
3280 1 9 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.674 0.480 25446
3281 1 9 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.092 0.031 25446
3282 1 9 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.531 2.061 25446
3283 1 9 . 1 1 27 27 ASP H H 27 8.638 8.638 7.895 0.743 25446
3284 1 9 . 1 1 28 28 LEU N N 28 125.046 125.046 122.814 2.232 25446
3285 1 9 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.478 -0.452 25446
3286 1 9 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.862 1.005 25446
3287 1 9 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.687 -0.279 25446
3288 1 9 . 1 1 28 28 LEU H H 28 7.389 7.389 7.618 -0.229 25446
3289 1 9 . 1 1 29 29 ASP N N 29 125.807 125.807 125.376 0.431 25446
3290 1 9 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.718 0.113 25446
3291 1 9 . 1 1 29 29 ASP H H 29 8.731 8.731 8.617 0.114 25446
3292 1 9 . 1 1 30 30 LEU N N 30 130.007 130.007 120.409 9.598 25446
3293 1 9 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.385 -0.487 25446
3294 1 9 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.273 0.146 25446
3295 1 9 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.563 0.560 25446
3296 1 9 . 1 1 30 30 LEU H H 30 9.744 9.744 8.250 1.494 25446
3297 1 9 . 1 1 31 31 VAL N N 31 121.093 121.093 122.494 -1.401 25446
3298 1 9 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.633 0.593 25446
3299 1 9 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.751 -2.360 25446
3300 1 9 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.980 1.201 25446
3301 1 9 . 1 1 31 31 VAL H H 31 8.166 8.166 7.912 0.254 25446
3302 1 9 . 1 1 32 32 ASP N N 32 124.657 124.657 119.918 4.739 25446
3303 1 9 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.376 -0.012 25446
3304 1 9 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.952 0.167 25446
3305 1 9 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.062 0.698 25446
3306 1 9 . 1 1 32 32 ASP H H 32 9.365 9.365 8.112 1.253 25446
3307 1 9 . 1 1 33 33 ASN N N 33 111.260 111.260 117.592 -6.332 25446
3308 1 9 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.665 0.075 25446
3309 1 9 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.738 1.074 25446
3310 1 9 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.042 1.064 25446
3311 1 9 . 1 1 33 33 ASN H H 33 7.423 7.423 7.992 -0.569 25446
3312 1 9 . 1 1 34 34 GLY N N 34 106.935 106.935 109.737 -2.802 25446
3313 1 9 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.096 -0.472 25446
3314 1 9 . 1 1 34 34 GLY H H 34 7.648 7.648 8.701 -1.053 25446
3315 1 9 . 1 1 35 35 VAL N N 35 120.307 120.307 122.445 -2.138 25446
3316 1 9 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.583 0.197 25446
3317 1 9 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.966 0.059 25446
3318 1 9 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.212 0.577 25446
3319 1 9 . 1 1 35 35 VAL H H 35 7.838 7.838 7.425 0.413 25446
3320 1 9 . 1 1 36 36 ILE N N 36 116.154 116.154 119.674 -3.520 25446
3321 1 9 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.989 -0.230 25446
3322 1 9 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.632 -3.056 25446
3323 1 9 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.765 1.460 25446
3324 1 9 . 1 1 36 36 ILE H H 36 7.337 7.337 8.635 -1.298 25446
3325 1 9 . 1 1 37 37 ASP N N 37 126.730 126.730 119.183 7.547 25446
3326 1 9 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.701 1.028 25446
3327 1 9 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.581 -4.944 25446
3328 1 9 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.150 1.101 25446
3329 1 9 . 1 1 37 37 ASP H H 37 7.921 7.921 8.246 -0.325 25446
3330 1 9 . 1 1 38 38 SER N N 38 113.176 113.176 113.198 -0.022 25446
3331 1 9 . 1 1 38 38 SER HA H 38 4.122 4.122 4.657 -0.535 25446
3332 1 9 . 1 1 38 38 SER CA C 38 61.062 61.062 58.962 2.100 25446
3333 1 9 . 1 1 39 39 LEU N N 39 122.521 122.521 124.543 -2.022 25446
3334 1 9 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.204 0.069 25446
3335 1 9 . 1 1 39 39 LEU CA C 39 57.370 57.370 57.430 -0.060 25446
3336 1 9 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.736 -0.477 25446
3337 1 9 . 1 1 39 39 LEU H H 39 7.675 7.675 7.657 0.018 25446
3338 1 9 . 1 1 40 40 GLY N N 40 111.971 111.971 106.238 5.733 25446
3339 1 9 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.133 0.987 25446
3340 1 9 . 1 1 40 40 GLY H H 40 8.776 8.776 7.717 1.059 25446
3341 1 9 . 1 1 41 41 LEU N N 41 122.579 122.579 123.909 -1.330 25446
3342 1 9 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.118 -0.273 25446
3343 1 9 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.994 0.271 25446
3344 1 9 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.008 -0.429 25446
3345 1 9 . 1 1 41 41 LEU H H 41 8.551 8.551 8.510 0.041 25446
3346 1 9 . 1 1 42 42 LEU N N 42 116.126 116.126 119.230 -3.104 25446
3347 1 9 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.963 0.045 25446
3348 1 9 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.456 -0.355 25446
3349 1 9 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.754 -0.807 25446
3350 1 9 . 1 1 42 42 LEU H H 42 7.213 7.213 7.823 -0.610 25446
3351 1 9 . 1 1 43 43 LYS N N 43 119.793 119.793 119.383 0.410 25446
3352 1 9 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.067 0.215 25446
3353 1 9 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.846 -0.276 25446
3354 1 9 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.319 0.218 25446
3355 1 9 . 1 1 43 43 LYS H H 43 7.664 7.664 7.505 0.159 25446
3356 1 9 . 1 1 44 44 VAL N N 44 121.147 121.147 120.706 0.441 25446
3357 1 9 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.066 -0.129 25446
3358 1 9 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.231 -0.413 25446
3359 1 9 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.537 0.022 25446
3360 1 9 . 1 1 44 44 VAL H H 44 8.278 8.278 8.564 -0.286 25446
3361 1 9 . 1 1 45 45 ILE N N 45 119.222 119.222 120.882 -1.660 25446
3362 1 9 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.792 -0.387 25446
3363 1 9 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.438 1.623 25446
3364 1 9 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.067 1.172 25446
3365 1 9 . 1 1 45 45 ILE H H 45 8.127 8.127 7.965 0.162 25446
3366 1 9 . 1 1 46 46 ALA N N 46 121.011 121.011 122.929 -1.918 25446
3367 1 9 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.168 0.064 25446
3368 1 9 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.020 -0.060 25446
3369 1 9 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.653 -0.313 25446
3370 1 9 . 1 1 46 46 ALA H H 46 7.811 7.811 7.664 0.147 25446
3371 1 9 . 1 1 47 47 TRP N N 47 121.158 121.158 121.005 0.153 25446
3372 1 9 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.438 -0.203 25446
3373 1 9 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.433 1.401 25446
3374 1 9 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.972 -1.752 25446
3375 1 9 . 1 1 47 47 TRP H H 47 8.094 8.094 8.524 -0.430 25446
3376 1 9 . 1 1 48 48 LEU N N 48 118.890 118.890 122.017 -3.127 25446
3377 1 9 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.781 0.792 25446
3378 1 9 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.593 -0.401 25446
3379 1 9 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.671 0.583 25446
3380 1 9 . 1 1 48 48 LEU H H 48 8.704 8.704 9.153 -0.449 25446
3381 1 9 . 1 1 49 49 GLU N N 49 118.917 118.917 119.320 -0.403 25446
3382 1 9 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.071 -0.025 25446
3383 1 9 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.505 0.203 25446
3384 1 9 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.131 0.485 25446
3385 1 9 . 1 1 49 49 GLU H H 49 7.808 7.808 7.855 -0.047 25446
3386 1 9 . 1 1 50 50 ASP N N 50 119.614 119.614 119.695 -0.081 25446
3387 1 9 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.381 -0.141 25446
3388 1 9 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.282 0.727 25446
3389 1 9 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.838 1.539 25446
3390 1 9 . 1 1 50 50 ASP H H 50 7.677 7.677 7.413 0.264 25446
3391 1 9 . 1 1 51 51 ARG N N 51 116.918 116.918 118.082 -1.164 25446
3392 1 9 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.865 -0.140 25446
3393 1 9 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.390 -2.102 25446
3394 1 9 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.198 -0.914 25446
3395 1 9 . 1 1 51 51 ARG H H 51 8.876 8.876 7.683 1.193 25446
3396 1 9 . 1 1 52 52 PHE N N 52 112.278 112.278 113.942 -1.664 25446
3397 1 9 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.549 0.108 25446
3398 1 9 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.297 -1.247 25446
3399 1 9 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.650 1.102 25446
3400 1 9 . 1 1 52 52 PHE H H 52 7.330 7.330 7.766 -0.436 25446
3401 1 9 . 1 1 53 53 GLY N N 53 109.717 109.717 109.173 0.544 25446
3402 1 9 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.661 0.985 25446
3403 1 9 . 1 1 53 53 GLY H H 53 7.411 7.411 8.101 -0.690 25446
3404 1 9 . 1 1 54 54 ILE N N 54 119.148 119.148 120.171 -1.023 25446
3405 1 9 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.170 -0.227 25446
3406 1 9 . 1 1 54 54 ILE CA C 54 60.600 60.600 59.956 0.644 25446
3407 1 9 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.709 -0.200 25446
3408 1 9 . 1 1 54 54 ILE H H 54 6.901 6.901 7.299 -0.398 25446
3409 1 9 . 1 1 55 55 ALA N N 55 129.774 129.774 128.196 1.578 25446
3410 1 9 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.219 0.183 25446
3411 1 9 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.724 -1.075 25446
3412 1 9 . 1 1 55 55 ALA H H 55 8.538 8.538 8.223 0.315 25446
3413 1 9 . 1 1 56 56 ALA N N 56 126.034 126.034 123.153 2.881 25446
3414 1 9 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.087 0.186 25446
3415 1 9 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.669 -0.057 25446
3416 1 9 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.998 0.124 25446
3417 1 9 . 1 1 56 56 ALA H H 56 8.620 8.620 8.322 0.298 25446
3418 1 9 . 1 1 57 57 ASP N N 57 115.649 115.649 115.999 -0.350 25446
3419 1 9 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.431 0.045 25446
3420 1 9 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.537 0.633 25446
3421 1 9 . 1 1 57 57 ASP H H 57 8.321 8.321 8.334 -0.013 25446
3422 1 9 . 1 1 58 58 ASP N N 58 118.298 118.298 120.034 -1.736 25446
3423 1 9 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.546 0.122 25446
3424 1 9 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.436 0.366 25446
3425 1 9 . 1 1 58 58 ASP H H 58 7.971 7.971 8.240 -0.269 25446
3426 1 9 . 1 1 59 59 VAL N N 59 118.443 118.443 121.219 -2.776 25446
3427 1 9 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.533 -0.324 25446
3428 1 9 . 1 1 59 59 VAL CA C 59 62.070 62.070 59.855 2.215 25446
3429 1 9 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.799 -1.469 25446
3430 1 9 . 1 1 59 59 VAL H H 59 7.700 7.700 8.036 -0.336 25446
3431 1 9 . 1 1 60 60 GLU N N 60 122.777 122.777 121.852 0.925 25446
3432 1 9 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.460 -0.177 25446
3433 1 9 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.053 0.265 25446
3434 1 9 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.180 -0.303 25446
3435 1 9 . 1 1 60 60 GLU H H 60 8.416 8.416 8.417 -0.001 25446
3436 1 9 . 1 1 61 61 LEU N N 61 124.910 124.910 126.054 -1.144 25446
3437 1 9 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.705 -0.348 25446
3438 1 9 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.251 0.911 25446
3439 1 9 . 1 1 61 61 LEU CB C 61 41.845 41.845 44.156 -2.311 25446
3440 1 9 . 1 1 61 61 LEU H H 61 8.249 8.249 8.552 -0.303 25446
3441 1 9 . 1 1 62 62 SER N N 62 118.228 118.228 118.745 -0.517 25446
3442 1 9 . 1 1 62 62 SER HA H 62 4.816 4.816 4.932 -0.116 25446
3443 1 9 . 1 1 62 62 SER CB C 62 63.963 63.963 63.464 0.499 25446
3444 1 9 . 1 1 62 62 SER H H 62 8.025 8.025 8.182 -0.157 25446
3445 1 9 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.538 -0.284 25446
3446 1 9 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.106 -0.212 25446
3447 1 9 . 1 1 64 64 GLU N N 64 116.457 116.457 118.494 -2.037 25446
3448 1 9 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.123 -0.256 25446
3449 1 9 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.411 -0.665 25446
3450 1 9 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.028 -0.321 25446
3451 1 9 . 1 1 64 64 GLU H H 64 8.310 8.310 8.991 -0.681 25446
3452 1 9 . 1 1 65 65 HIS N N 65 114.998 114.998 119.048 -4.050 25446
3453 1 9 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.243 0.054 25446
3454 1 9 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.662 -1.297 25446
3455 1 9 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.858 -0.251 25446
3456 1 9 . 1 1 65 65 HIS H H 65 7.324 7.324 7.904 -0.580 25446
3457 1 9 . 1 1 66 66 PHE N N 66 115.965 115.965 114.996 0.969 25446
3458 1 9 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.615 0.167 25446
3459 1 9 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.048 -2.382 25446
3460 1 9 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.456 0.528 25446
3461 1 9 . 1 1 66 66 PHE H H 66 7.245 7.245 7.519 -0.274 25446
3462 1 9 . 1 1 67 67 ARG N N 67 112.179 112.179 118.233 -6.054 25446
3463 1 9 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.015 0.069 25446
3464 1 9 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.367 -0.076 25446
3465 1 9 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.971 0.666 25446
3466 1 9 . 1 1 67 67 ARG H H 67 6.632 6.632 7.475 -0.843 25446
3467 1 9 . 1 1 68 68 SER N N 68 109.181 109.181 108.731 0.450 25446
3468 1 9 . 1 1 68 68 SER HA H 68 4.985 4.985 4.630 0.355 25446
3469 1 9 . 1 1 68 68 SER CA C 68 55.664 55.664 56.108 -0.444 25446
3470 1 9 . 1 1 68 68 SER CB C 68 67.608 67.608 64.666 2.942 25446
3471 1 9 . 1 1 68 68 SER H H 68 8.139 8.139 7.437 0.702 25446
3472 1 9 . 1 1 69 69 ILE N N 69 122.526 122.526 125.653 -3.127 25446
3473 1 9 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.748 -0.066 25446
3474 1 9 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.314 1.423 25446
3475 1 9 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.866 -0.878 25446
3476 1 9 . 1 1 69 69 ILE H H 69 9.770 9.770 9.066 0.704 25446
3477 1 9 . 1 1 70 70 ARG N N 70 118.671 118.671 119.170 -0.499 25446
3478 1 9 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.989 -0.021 25446
3479 1 9 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.878 0.451 25446
3480 1 9 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.792 0.508 25446
3481 1 9 . 1 1 70 70 ARG H H 70 8.860 8.860 7.765 1.095 25446
3482 1 9 . 1 1 71 71 SER N N 71 117.722 117.722 115.933 1.789 25446
3483 1 9 . 1 1 71 71 SER HA H 71 4.346 4.346 4.106 0.240 25446
3484 1 9 . 1 1 71 71 SER CB C 71 62.962 62.962 62.623 0.339 25446
3485 1 9 . 1 1 71 71 SER H H 71 8.534 8.534 7.426 1.109 25446
3486 1 9 . 1 1 72 72 ILE N N 72 127.380 127.380 122.112 5.268 25446
3487 1 9 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.685 0.240 25446
3488 1 9 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.175 1.570 25446
3489 1 9 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.760 -0.399 25446
3490 1 9 . 1 1 72 72 ILE H H 72 8.789 8.789 7.183 1.606 25446
3491 1 9 . 1 1 73 73 ASP N N 73 121.443 121.443 121.004 0.439 25446
3492 1 9 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.281 -0.269 25446
3493 1 9 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.474 1.626 25446
3494 1 9 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.558 3.122 25446
3495 1 9 . 1 1 73 73 ASP H H 73 8.699 8.699 8.076 0.623 25446
3496 1 9 . 1 1 74 74 ALA N N 74 118.799 118.799 121.901 -3.102 25446
3497 1 9 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.084 -0.045 25446
3498 1 9 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.146 0.089 25446
3499 1 9 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.232 -0.283 25446
3500 1 9 . 1 1 74 74 ALA H H 74 8.042 8.042 7.752 0.290 25446
3501 1 9 . 1 1 75 75 PHE N N 75 121.125 121.125 119.538 1.587 25446
3502 1 9 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.167 -0.122 25446
3503 1 9 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.698 -0.747 25446
3504 1 9 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.541 -0.670 25446
3505 1 9 . 1 1 75 75 PHE H H 75 8.369 8.369 7.631 0.738 25446
3506 1 9 . 1 1 76 76 VAL N N 76 120.715 120.715 119.430 1.285 25446
3507 1 9 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.463 -0.513 25446
3508 1 9 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.424 -0.595 25446
3509 1 9 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.909 -0.682 25446
3510 1 9 . 1 1 76 76 VAL H H 76 8.555 8.555 8.413 0.142 25446
3511 1 9 . 1 1 77 77 VAL N N 77 121.286 121.286 119.149 2.137 25446
3512 1 9 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.843 -0.350 25446
3513 1 9 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.710 1.068 25446
3514 1 9 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.830 0.036 25446
3515 1 9 . 1 1 77 77 VAL H H 77 8.770 8.770 8.465 0.305 25446
3516 1 9 . 1 1 78 78 GLY N N 78 106.349 106.349 105.644 0.705 25446
3517 1 9 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.442 0.190 25446
3518 1 9 . 1 1 78 78 GLY H H 78 7.976 7.976 7.897 0.079 25446
3519 1 9 . 1 1 79 79 ALA N N 79 120.998 120.998 121.911 -0.913 25446
3520 1 9 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.473 -0.266 25446
3521 1 9 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.475 0.321 25446
3522 1 9 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.266 -1.000 25446
3523 1 9 . 1 1 79 79 ALA H H 79 7.647 7.647 7.113 0.534 25446
3524 1 9 . 1 1 80 80 THR N N 80 107.402 107.402 115.369 -7.967 25446
3525 1 9 . 1 1 80 80 THR HA H 80 4.454 4.454 4.340 0.114 25446
3526 1 9 . 1 1 80 80 THR CA C 80 61.337 61.337 62.134 -0.797 25446
3527 1 9 . 1 1 80 80 THR CB C 80 70.703 70.703 71.169 -0.466 25446
3528 1 9 . 1 1 80 80 THR H H 80 7.469 7.469 8.254 -0.785 25446
3529 1 9 . 1 1 81 81 THR N N 81 119.746 119.746 120.021 -0.275 25446
3530 1 9 . 1 1 81 81 THR HA H 81 4.668 4.668 4.617 0.051 25446
3531 1 9 . 1 1 81 81 THR CA C 81 60.448 60.448 58.136 2.312 25446
3532 1 9 . 1 1 81 81 THR CB C 81 70.062 70.062 69.436 0.626 25446
3533 1 9 . 1 1 81 81 THR H H 81 7.684 7.684 8.265 -0.581 25446
3534 1 9 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.751 -0.052 25446
3535 1 9 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.532 0.078 25446
3536 1 9 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.767 0.237 25446
3537 1 9 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.476 -0.003 25446
3538 1 9 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.972 -0.161 25446
3539 1 9 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.650 -0.569 25446
3540 1 9 . 1 1 84 84 VAL N N 84 120.611 120.611 120.124 0.487 25446
3541 1 9 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.669 -0.622 25446
3542 1 9 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.260 2.053 25446
3543 1 9 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.318 -1.446 25446
3544 1 9 . 1 1 84 84 VAL H H 84 8.240 8.240 8.364 -0.124 25446
3545 1 9 . 1 1 85 85 GLU N N 85 125.076 125.076 127.408 -2.332 25446
3546 1 9 . 1 1 85 85 GLU H H 85 8.434 8.434 8.426 0.008 25446
3547 1 9 . 1 1 86 86 ALA N N 86 126.280 126.280 123.588 2.692 25446
3548 1 9 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.765 -0.477 25446
3549 1 9 . 1 1 86 86 ALA H H 86 8.340 8.340 8.313 0.027 25446
3550 1 9 . 1 1 87 87 LYS N N 87 121.709 121.709 122.176 -0.467 25446
3551 1 9 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.599 0.605 25446
3552 1 9 . 1 1 87 87 LYS H H 87 8.334 8.334 8.477 -0.143 25446
3553 1 9 . 1 1 88 88 LEU N N 88 125.379 125.379 119.250 6.129 25446
3554 1 9 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.429 -4.429 25446
3555 1 9 . 1 1 88 88 LEU H H 88 8.435 8.435 7.673 0.762 25446
3556 1 10 . 1 1 2 2 GLN N N 2 123.771 123.771 118.790 4.981 25446
3557 1 10 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.028 0.102 25446
3558 1 10 . 1 1 2 2 GLN CA C 2 57.549 57.549 56.694 0.855 25446
3559 1 10 . 1 1 2 2 GLN CB C 2 30.162 30.162 27.061 3.101 25446
3560 1 10 . 1 1 2 2 GLN H H 2 9.634 9.634 8.553 1.081 25446
3561 1 10 . 1 1 3 3 HIS N N 3 119.013 119.013 112.416 6.597 25446
3562 1 10 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.076 1.108 25446
3563 1 10 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.493 -1.490 25446
3564 1 10 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.262 1.826 25446
3565 1 10 . 1 1 3 3 HIS H H 3 9.946 9.946 8.522 1.424 25446
3566 1 10 . 1 1 4 4 ALA N N 4 122.550 122.550 122.094 0.456 25446
3567 1 10 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.031 -0.140 25446
3568 1 10 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.922 1.637 25446
3569 1 10 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.667 0.125 25446
3570 1 10 . 1 1 4 4 ALA H H 4 7.524 7.524 8.608 -1.084 25446
3571 1 10 . 1 1 5 5 SER N N 5 112.310 112.310 113.474 -1.164 25446
3572 1 10 . 1 1 5 5 SER HA H 5 4.295 4.295 4.182 0.113 25446
3573 1 10 . 1 1 5 5 SER CA C 5 62.089 62.089 61.642 0.447 25446
3574 1 10 . 1 1 5 5 SER CB C 5 62.421 62.421 62.332 0.089 25446
3575 1 10 . 1 1 5 5 SER H H 5 8.772 8.772 8.477 0.295 25446
3576 1 10 . 1 1 6 6 VAL N N 6 122.625 122.625 121.635 0.990 25446
3577 1 10 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.719 0.392 25446
3578 1 10 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.040 -0.332 25446
3579 1 10 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.818 0.922 25446
3580 1 10 . 1 1 6 6 VAL H H 6 7.657 7.657 7.375 0.282 25446
3581 1 10 . 1 1 7 7 ILE N N 7 121.536 121.536 120.279 1.257 25446
3582 1 10 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.757 0.469 25446
3583 1 10 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.588 -0.295 25446
3584 1 10 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.534 1.097 25446
3585 1 10 . 1 1 7 7 ILE H H 7 8.526 8.526 7.447 1.079 25446
3586 1 10 . 1 1 8 8 ALA N N 8 121.229 121.229 121.958 -0.729 25446
3587 1 10 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.045 -0.149 25446
3588 1 10 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.634 0.608 25446
3589 1 10 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.224 0.507 25446
3590 1 10 . 1 1 8 8 ALA H H 8 8.946 8.946 8.655 0.291 25446
3591 1 10 . 1 1 9 9 GLN N N 9 114.998 114.998 118.977 -3.979 25446
3592 1 10 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.037 -0.164 25446
3593 1 10 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.242 0.717 25446
3594 1 10 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.143 -0.331 25446
3595 1 10 . 1 1 9 9 GLN H H 9 7.731 7.731 8.465 -0.734 25446
3596 1 10 . 1 1 10 10 PHE N N 10 120.075 120.075 121.686 -1.611 25446
3597 1 10 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.222 -0.144 25446
3598 1 10 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.286 -0.433 25446
3599 1 10 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.355 -0.532 25446
3600 1 10 . 1 1 10 10 PHE H H 10 7.299 7.299 8.570 -1.271 25446
3601 1 10 . 1 1 11 11 VAL N N 11 117.458 117.458 118.758 -1.300 25446
3602 1 10 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.618 -0.311 25446
3603 1 10 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.279 -0.835 25446
3604 1 10 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.081 -0.393 25446
3605 1 10 . 1 1 11 11 VAL H H 11 8.363 8.363 8.434 -0.071 25446
3606 1 10 . 1 1 12 12 VAL N N 12 117.722 117.722 119.876 -2.154 25446
3607 1 10 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.828 0.919 25446
3608 1 10 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.829 0.090 25446
3609 1 10 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.076 0.191 25446
3610 1 10 . 1 1 12 12 VAL H H 12 8.289 8.289 8.268 0.021 25446
3611 1 10 . 1 1 13 13 GLU N N 13 117.827 117.827 119.670 -1.843 25446
3612 1 10 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.768 -0.026 25446
3613 1 10 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.075 0.118 25446
3614 1 10 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.106 0.388 25446
3615 1 10 . 1 1 13 13 GLU H H 13 7.758 7.758 8.237 -0.479 25446
3616 1 10 . 1 1 14 14 GLU N N 14 113.425 113.425 120.282 -6.857 25446
3617 1 10 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.039 -0.267 25446
3618 1 10 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.372 -1.765 25446
3619 1 10 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.128 -0.629 25446
3620 1 10 . 1 1 14 14 GLU H H 14 7.604 7.604 7.622 -0.018 25446
3621 1 10 . 1 1 15 15 PHE N N 15 114.097 114.097 114.206 -0.109 25446
3622 1 10 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.743 0.198 25446
3623 1 10 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.410 2.583 25446
3624 1 10 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.403 2.589 25446
3625 1 10 . 1 1 15 15 PHE H H 15 7.916 7.916 7.401 0.515 25446
3626 1 10 . 1 1 16 16 LEU N N 16 121.405 121.405 121.496 -0.091 25446
3627 1 10 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.361 0.606 25446
3628 1 10 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.021 -0.704 25446
3629 1 10 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.505 3.230 25446
3630 1 10 . 1 1 16 16 LEU H H 16 8.046 8.046 7.323 0.723 25446
3631 1 10 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.468 -0.094 25446
3632 1 10 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.468 2.197 25446
3633 1 10 . 1 1 18 18 ASP N N 18 116.413 116.413 117.885 -1.472 25446
3634 1 10 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.468 0.116 25446
3635 1 10 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.207 0.383 25446
3636 1 10 . 1 1 18 18 ASP H H 18 8.415 8.415 8.440 -0.025 25446
3637 1 10 . 1 1 19 19 VAL N N 19 122.077 122.077 118.667 3.410 25446
3638 1 10 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.092 0.021 25446
3639 1 10 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.511 0.836 25446
3640 1 10 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.701 -0.314 25446
3641 1 10 . 1 1 19 19 VAL H H 19 7.771 7.771 7.310 0.461 25446
3642 1 10 . 1 1 20 20 ALA N N 20 129.197 129.197 129.973 -0.776 25446
3643 1 10 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.496 0.092 25446
3644 1 10 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.299 -0.071 25446
3645 1 10 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.290 -0.867 25446
3646 1 10 . 1 1 20 20 ALA H H 20 8.765 8.765 8.269 0.496 25446
3647 1 10 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.066 0.008 25446
3648 1 10 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.605 0.536 25446
3649 1 10 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.703 -0.365 25446
3650 1 10 . 1 1 22 22 ALA N N 22 115.949 115.949 117.403 -1.454 25446
3651 1 10 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.165 -0.048 25446
3652 1 10 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.104 -0.321 25446
3653 1 10 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.458 0.294 25446
3654 1 10 . 1 1 22 22 ALA H H 22 8.074 8.074 7.916 0.158 25446
3655 1 10 . 1 1 23 23 ASP N N 23 115.451 115.451 117.123 -1.672 25446
3656 1 10 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.824 -0.172 25446
3657 1 10 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.797 0.647 25446
3658 1 10 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.437 -0.297 25446
3659 1 10 . 1 1 23 23 ASP H H 23 8.023 8.023 8.243 -0.220 25446
3660 1 10 . 1 1 24 24 VAL N N 24 121.382 121.382 120.695 0.687 25446
3661 1 10 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.141 -0.313 25446
3662 1 10 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.135 1.176 25446
3663 1 10 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.667 -1.803 25446
3664 1 10 . 1 1 24 24 VAL H H 24 7.072 7.072 7.218 -0.146 25446
3665 1 10 . 1 1 25 25 ASP N N 25 129.258 129.258 128.805 0.453 25446
3666 1 10 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.616 -0.044 25446
3667 1 10 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.220 0.250 25446
3668 1 10 . 1 1 25 25 ASP H H 25 8.499 8.499 8.813 -0.314 25446
3669 1 10 . 1 1 26 26 VAL N N 26 121.736 121.736 119.995 1.741 25446
3670 1 10 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.864 0.244 25446
3671 1 10 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.238 1.238 25446
3672 1 10 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.495 -0.278 25446
3673 1 10 . 1 1 26 26 VAL H H 26 8.566 8.566 7.930 0.636 25446
3674 1 10 . 1 1 27 27 ASP N N 27 116.233 116.233 117.708 -1.475 25446
3675 1 10 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.673 0.481 25446
3676 1 10 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.243 -0.120 25446
3677 1 10 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.570 2.022 25446
3678 1 10 . 1 1 27 27 ASP H H 27 8.638 8.638 7.981 0.657 25446
3679 1 10 . 1 1 28 28 LEU N N 28 125.046 125.046 122.472 2.574 25446
3680 1 10 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.456 -0.430 25446
3681 1 10 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.697 1.170 25446
3682 1 10 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.586 -0.178 25446
3683 1 10 . 1 1 28 28 LEU H H 28 7.389 7.389 7.492 -0.103 25446
3684 1 10 . 1 1 29 29 ASP N N 29 125.807 125.807 125.299 0.508 25446
3685 1 10 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.723 0.108 25446
3686 1 10 . 1 1 29 29 ASP H H 29 8.731 8.731 8.598 0.133 25446
3687 1 10 . 1 1 30 30 LEU N N 30 130.007 130.007 121.280 8.727 25446
3688 1 10 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.453 -0.555 25446
3689 1 10 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.135 0.284 25446
3690 1 10 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.580 0.543 25446
3691 1 10 . 1 1 30 30 LEU H H 30 9.744 9.744 8.517 1.227 25446
3692 1 10 . 1 1 31 31 VAL N N 31 121.093 121.093 122.221 -1.128 25446
3693 1 10 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.627 0.599 25446
3694 1 10 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.932 -1.541 25446
3695 1 10 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.291 0.890 25446
3696 1 10 . 1 1 31 31 VAL H H 31 8.166 8.166 7.837 0.329 25446
3697 1 10 . 1 1 32 32 ASP N N 32 124.657 124.657 119.547 5.110 25446
3698 1 10 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.364 -0.000 25446
3699 1 10 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.715 0.404 25446
3700 1 10 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.629 0.131 25446
3701 1 10 . 1 1 32 32 ASP H H 32 9.365 9.365 8.033 1.332 25446
3702 1 10 . 1 1 33 33 ASN N N 33 111.260 111.260 117.624 -6.364 25446
3703 1 10 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.547 0.193 25446
3704 1 10 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.591 1.221 25446
3705 1 10 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.611 1.495 25446
3706 1 10 . 1 1 33 33 ASN H H 33 7.423 7.423 7.890 -0.467 25446
3707 1 10 . 1 1 34 34 GLY N N 34 106.935 106.935 109.308 -2.373 25446
3708 1 10 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.915 -0.291 25446
3709 1 10 . 1 1 34 34 GLY H H 34 7.648 7.648 8.515 -0.867 25446
3710 1 10 . 1 1 35 35 VAL N N 35 120.307 120.307 122.784 -2.477 25446
3711 1 10 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.470 0.310 25446
3712 1 10 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.465 -0.439 25446
3713 1 10 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.669 0.119 25446
3714 1 10 . 1 1 35 35 VAL H H 35 7.838 7.838 7.319 0.519 25446
3715 1 10 . 1 1 36 36 ILE N N 36 116.154 116.154 119.285 -3.131 25446
3716 1 10 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.664 0.095 25446
3717 1 10 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.629 -3.053 25446
3718 1 10 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.628 1.597 25446
3719 1 10 . 1 1 36 36 ILE H H 36 7.337 7.337 8.429 -1.092 25446
3720 1 10 . 1 1 37 37 ASP N N 37 126.730 126.730 120.470 6.260 25446
3721 1 10 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.697 1.032 25446
3722 1 10 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.653 -5.016 25446
3723 1 10 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.086 1.165 25446
3724 1 10 . 1 1 37 37 ASP H H 37 7.921 7.921 8.204 -0.283 25446
3725 1 10 . 1 1 38 38 SER N N 38 113.176 113.176 113.858 -0.682 25446
3726 1 10 . 1 1 38 38 SER HA H 38 4.122 4.122 4.514 -0.392 25446
3727 1 10 . 1 1 38 38 SER CA C 38 61.062 61.062 59.788 1.274 25446
3728 1 10 . 1 1 39 39 LEU N N 39 122.521 122.521 122.872 -0.351 25446
3729 1 10 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.166 0.107 25446
3730 1 10 . 1 1 39 39 LEU CA C 39 57.370 57.370 57.779 -0.409 25446
3731 1 10 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.141 0.118 25446
3732 1 10 . 1 1 39 39 LEU H H 39 7.675 7.675 7.725 -0.050 25446
3733 1 10 . 1 1 40 40 GLY N N 40 111.971 111.971 106.769 5.202 25446
3734 1 10 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.872 1.248 25446
3735 1 10 . 1 1 40 40 GLY H H 40 8.776 8.776 7.520 1.256 25446
3736 1 10 . 1 1 41 41 LEU N N 41 122.579 122.579 123.526 -0.947 25446
3737 1 10 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.117 -0.272 25446
3738 1 10 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.753 0.512 25446
3739 1 10 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.016 -0.437 25446
3740 1 10 . 1 1 41 41 LEU H H 41 8.551 8.551 8.406 0.145 25446
3741 1 10 . 1 1 42 42 LEU N N 42 116.126 116.126 119.292 -3.166 25446
3742 1 10 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.935 0.074 25446
3743 1 10 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.518 -0.417 25446
3744 1 10 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.699 -0.752 25446
3745 1 10 . 1 1 42 42 LEU H H 42 7.213 7.213 8.001 -0.788 25446
3746 1 10 . 1 1 43 43 LYS N N 43 119.793 119.793 119.320 0.473 25446
3747 1 10 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.043 0.239 25446
3748 1 10 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.007 -0.437 25446
3749 1 10 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.312 0.225 25446
3750 1 10 . 1 1 43 43 LYS H H 43 7.664 7.664 7.452 0.212 25446
3751 1 10 . 1 1 44 44 VAL N N 44 121.147 121.147 120.745 0.402 25446
3752 1 10 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.031 -0.094 25446
3753 1 10 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.118 -0.300 25446
3754 1 10 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.930 -0.371 25446
3755 1 10 . 1 1 44 44 VAL H H 44 8.278 8.278 8.358 -0.080 25446
3756 1 10 . 1 1 45 45 ILE N N 45 119.222 119.222 120.487 -1.265 25446
3757 1 10 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.777 -0.372 25446
3758 1 10 . 1 1 45 45 ILE CA C 45 66.061 66.061 65.000 1.061 25446
3759 1 10 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.420 0.819 25446
3760 1 10 . 1 1 45 45 ILE H H 45 8.127 8.127 7.972 0.155 25446
3761 1 10 . 1 1 46 46 ALA N N 46 121.011 121.011 122.978 -1.967 25446
3762 1 10 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.149 0.083 25446
3763 1 10 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.046 -0.086 25446
3764 1 10 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.557 -0.217 25446
3765 1 10 . 1 1 46 46 ALA H H 46 7.811 7.811 7.832 -0.021 25446
3766 1 10 . 1 1 47 47 TRP N N 47 121.158 121.158 121.024 0.134 25446
3767 1 10 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.426 -0.191 25446
3768 1 10 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.743 1.091 25446
3769 1 10 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.759 -1.539 25446
3770 1 10 . 1 1 47 47 TRP H H 47 8.094 8.094 8.612 -0.518 25446
3771 1 10 . 1 1 48 48 LEU N N 48 118.890 118.890 121.205 -2.315 25446
3772 1 10 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.005 0.568 25446
3773 1 10 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.274 -0.082 25446
3774 1 10 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.627 0.627 25446
3775 1 10 . 1 1 48 48 LEU H H 48 8.704 8.704 8.819 -0.115 25446
3776 1 10 . 1 1 49 49 GLU N N 49 118.917 118.917 119.050 -0.133 25446
3777 1 10 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.009 0.037 25446
3778 1 10 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.702 0.006 25446
3779 1 10 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.392 0.224 25446
3780 1 10 . 1 1 49 49 GLU H H 49 7.808 7.808 8.077 -0.269 25446
3781 1 10 . 1 1 50 50 ASP N N 50 119.614 119.614 119.786 -0.172 25446
3782 1 10 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.400 -0.160 25446
3783 1 10 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.589 0.420 25446
3784 1 10 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.705 1.672 25446
3785 1 10 . 1 1 50 50 ASP H H 50 7.677 7.677 7.717 -0.040 25446
3786 1 10 . 1 1 51 51 ARG N N 51 116.918 116.918 117.086 -0.168 25446
3787 1 10 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.028 -0.303 25446
3788 1 10 . 1 1 51 51 ARG CA C 51 56.288 56.288 57.955 -1.667 25446
3789 1 10 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.818 -1.534 25446
3790 1 10 . 1 1 51 51 ARG H H 51 8.876 8.876 7.263 1.613 25446
3791 1 10 . 1 1 52 52 PHE N N 52 112.278 112.278 115.168 -2.890 25446
3792 1 10 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.590 0.067 25446
3793 1 10 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.376 -1.326 25446
3794 1 10 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.499 1.253 25446
3795 1 10 . 1 1 52 52 PHE H H 52 7.330 7.330 7.951 -0.621 25446
3796 1 10 . 1 1 53 53 GLY N N 53 109.717 109.717 109.026 0.691 25446
3797 1 10 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.596 1.050 25446
3798 1 10 . 1 1 53 53 GLY H H 53 7.411 7.411 8.280 -0.869 25446
3799 1 10 . 1 1 54 54 ILE N N 54 119.148 119.148 120.450 -1.302 25446
3800 1 10 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.080 -0.137 25446
3801 1 10 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.468 0.132 25446
3802 1 10 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.093 0.416 25446
3803 1 10 . 1 1 54 54 ILE H H 54 6.901 6.901 7.404 -0.503 25446
3804 1 10 . 1 1 55 55 ALA N N 55 129.774 129.774 128.360 1.414 25446
3805 1 10 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.243 0.159 25446
3806 1 10 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.632 -0.984 25446
3807 1 10 . 1 1 55 55 ALA H H 55 8.538 8.538 8.333 0.205 25446
3808 1 10 . 1 1 56 56 ALA N N 56 126.034 126.034 123.750 2.284 25446
3809 1 10 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.137 0.136 25446
3810 1 10 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.417 0.195 25446
3811 1 10 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.018 0.103 25446
3812 1 10 . 1 1 56 56 ALA H H 56 8.620 8.620 8.348 0.272 25446
3813 1 10 . 1 1 57 57 ASP N N 57 115.649 115.649 116.025 -0.376 25446
3814 1 10 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.443 0.033 25446
3815 1 10 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.557 0.613 25446
3816 1 10 . 1 1 57 57 ASP H H 57 8.321 8.321 8.347 -0.026 25446
3817 1 10 . 1 1 58 58 ASP N N 58 118.298 118.298 119.700 -1.402 25446
3818 1 10 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.548 0.120 25446
3819 1 10 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.533 0.269 25446
3820 1 10 . 1 1 58 58 ASP H H 58 7.971 7.971 8.367 -0.396 25446
3821 1 10 . 1 1 59 59 VAL N N 59 118.443 118.443 123.343 -4.900 25446
3822 1 10 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.400 -0.191 25446
3823 1 10 . 1 1 59 59 VAL CA C 59 62.070 62.070 59.787 2.283 25446
3824 1 10 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.521 -1.191 25446
3825 1 10 . 1 1 59 59 VAL H H 59 7.700 7.700 8.024 -0.324 25446
3826 1 10 . 1 1 60 60 GLU N N 60 122.777 122.777 122.175 0.602 25446
3827 1 10 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.490 -0.207 25446
3828 1 10 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.058 0.260 25446
3829 1 10 . 1 1 60 60 GLU CB C 60 29.877 29.877 29.958 -0.081 25446
3830 1 10 . 1 1 60 60 GLU H H 60 8.416 8.416 8.393 0.023 25446
3831 1 10 . 1 1 61 61 LEU N N 61 124.910 124.910 125.919 -1.009 25446
3832 1 10 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.762 -0.405 25446
3833 1 10 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.094 1.068 25446
3834 1 10 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.871 -2.026 25446
3835 1 10 . 1 1 61 61 LEU H H 61 8.249 8.249 8.578 -0.329 25446
3836 1 10 . 1 1 62 62 SER N N 62 118.228 118.228 118.403 -0.175 25446
3837 1 10 . 1 1 62 62 SER HA H 62 4.816 4.816 4.941 -0.124 25446
3838 1 10 . 1 1 62 62 SER CB C 62 63.963 63.963 63.575 0.388 25446
3839 1 10 . 1 1 62 62 SER H H 62 8.025 8.025 8.173 -0.148 25446
3840 1 10 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.544 -0.290 25446
3841 1 10 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.917 -0.023 25446
3842 1 10 . 1 1 64 64 GLU N N 64 116.457 116.457 118.531 -2.074 25446
3843 1 10 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.122 -0.255 25446
3844 1 10 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.422 -0.676 25446
3845 1 10 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.999 -0.292 25446
3846 1 10 . 1 1 64 64 GLU H H 64 8.310 8.310 8.998 -0.688 25446
3847 1 10 . 1 1 65 65 HIS N N 65 114.998 114.998 119.289 -4.291 25446
3848 1 10 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.220 0.077 25446
3849 1 10 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.358 -0.993 25446
3850 1 10 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.658 -0.051 25446
3851 1 10 . 1 1 65 65 HIS H H 65 7.324 7.324 7.790 -0.466 25446
3852 1 10 . 1 1 66 66 PHE N N 66 115.965 115.965 114.950 1.015 25446
3853 1 10 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.537 0.245 25446
3854 1 10 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.298 -2.632 25446
3855 1 10 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.519 0.465 25446
3856 1 10 . 1 1 66 66 PHE H H 66 7.245 7.245 7.524 -0.279 25446
3857 1 10 . 1 1 67 67 ARG N N 67 112.179 112.179 118.325 -6.146 25446
3858 1 10 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.999 0.085 25446
3859 1 10 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.895 0.396 25446
3860 1 10 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.776 0.861 25446
3861 1 10 . 1 1 67 67 ARG H H 67 6.632 6.632 7.558 -0.926 25446
3862 1 10 . 1 1 68 68 SER N N 68 109.181 109.181 109.619 -0.438 25446
3863 1 10 . 1 1 68 68 SER HA H 68 4.985 4.985 4.734 0.251 25446
3864 1 10 . 1 1 68 68 SER CA C 68 55.664 55.664 56.267 -0.603 25446
3865 1 10 . 1 1 68 68 SER CB C 68 67.608 67.608 66.520 1.088 25446
3866 1 10 . 1 1 68 68 SER H H 68 8.139 8.139 7.315 0.824 25446
3867 1 10 . 1 1 69 69 ILE N N 69 122.526 122.526 122.341 0.185 25446
3868 1 10 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.764 -0.082 25446
3869 1 10 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.025 1.713 25446
3870 1 10 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.792 -0.804 25446
3871 1 10 . 1 1 69 69 ILE H H 69 9.770 9.770 9.015 0.755 25446
3872 1 10 . 1 1 70 70 ARG N N 70 118.671 118.671 119.084 -0.413 25446
3873 1 10 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.202 -0.234 25446
3874 1 10 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.437 0.892 25446
3875 1 10 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.739 0.561 25446
3876 1 10 . 1 1 70 70 ARG H H 70 8.860 8.860 8.411 0.449 25446
3877 1 10 . 1 1 71 71 SER N N 71 117.722 117.722 115.649 2.073 25446
3878 1 10 . 1 1 71 71 SER HA H 71 4.346 4.346 4.116 0.230 25446
3879 1 10 . 1 1 71 71 SER CB C 71 62.962 62.962 62.150 0.812 25446
3880 1 10 . 1 1 71 71 SER H H 71 8.534 8.534 7.604 0.930 25446
3881 1 10 . 1 1 72 72 ILE N N 72 127.380 127.380 122.397 4.983 25446
3882 1 10 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.894 0.031 25446
3883 1 10 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.528 2.217 25446
3884 1 10 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.788 -0.427 25446
3885 1 10 . 1 1 72 72 ILE H H 72 8.789 8.789 7.070 1.719 25446
3886 1 10 . 1 1 73 73 ASP N N 73 121.443 121.443 120.282 1.161 25446
3887 1 10 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.365 -0.353 25446
3888 1 10 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.526 1.574 25446
3889 1 10 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.938 3.742 25446
3890 1 10 . 1 1 73 73 ASP H H 73 8.699 8.699 7.734 0.965 25446
3891 1 10 . 1 1 74 74 ALA N N 74 118.799 118.799 122.272 -3.473 25446
3892 1 10 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.080 -0.041 25446
3893 1 10 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.362 -0.127 25446
3894 1 10 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.321 -0.372 25446
3895 1 10 . 1 1 74 74 ALA H H 74 8.042 8.042 7.723 0.319 25446
3896 1 10 . 1 1 75 75 PHE N N 75 121.125 121.125 119.517 1.608 25446
3897 1 10 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.173 -0.128 25446
3898 1 10 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.307 -0.356 25446
3899 1 10 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.267 -0.396 25446
3900 1 10 . 1 1 75 75 PHE H H 75 8.369 8.369 7.607 0.762 25446
3901 1 10 . 1 1 76 76 VAL N N 76 120.715 120.715 118.930 1.785 25446
3902 1 10 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.638 -0.688 25446
3903 1 10 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.392 0.437 25446
3904 1 10 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.159 0.068 25446
3905 1 10 . 1 1 76 76 VAL H H 76 8.555 8.555 7.975 0.580 25446
3906 1 10 . 1 1 77 77 VAL N N 77 121.286 121.286 119.901 1.385 25446
3907 1 10 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.949 -0.456 25446
3908 1 10 . 1 1 77 77 VAL CA C 77 66.778 66.778 64.750 2.028 25446
3909 1 10 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.208 0.658 25446
3910 1 10 . 1 1 77 77 VAL H H 77 8.770 8.770 8.464 0.306 25446
3911 1 10 . 1 1 78 78 GLY N N 78 106.349 106.349 106.136 0.213 25446
3912 1 10 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.445 0.187 25446
3913 1 10 . 1 1 78 78 GLY H H 78 7.976 7.976 7.932 0.044 25446
3914 1 10 . 1 1 79 79 ALA N N 79 120.998 120.998 122.261 -1.263 25446
3915 1 10 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.397 -0.190 25446
3916 1 10 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.590 0.206 25446
3917 1 10 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.270 -1.004 25446
3918 1 10 . 1 1 79 79 ALA H H 79 7.647 7.647 7.131 0.516 25446
3919 1 10 . 1 1 80 80 THR N N 80 107.402 107.402 114.931 -7.529 25446
3920 1 10 . 1 1 80 80 THR HA H 80 4.454 4.454 4.304 0.150 25446
3921 1 10 . 1 1 80 80 THR CA C 80 61.337 61.337 62.058 -0.721 25446
3922 1 10 . 1 1 80 80 THR CB C 80 70.703 70.703 71.003 -0.300 25446
3923 1 10 . 1 1 80 80 THR H H 80 7.469 7.469 8.181 -0.712 25446
3924 1 10 . 1 1 81 81 THR N N 81 119.746 119.746 119.685 0.061 25446
3925 1 10 . 1 1 81 81 THR HA H 81 4.668 4.668 4.662 0.006 25446
3926 1 10 . 1 1 81 81 THR CA C 81 60.448 60.448 58.378 2.070 25446
3927 1 10 . 1 1 81 81 THR CB C 81 70.062 70.062 68.960 1.102 25446
3928 1 10 . 1 1 81 81 THR H H 81 7.684 7.684 8.318 -0.634 25446
3929 1 10 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.456 0.243 25446
3930 1 10 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.697 -0.087 25446
3931 1 10 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.310 0.694 25446
3932 1 10 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.239 0.234 25446
3933 1 10 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.633 0.178 25446
3934 1 10 . 1 1 83 83 PRO CB C 83 32.081 32.081 31.967 0.114 25446
3935 1 10 . 1 1 84 84 VAL N N 84 120.611 120.611 118.561 2.050 25446
3936 1 10 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.233 -0.186 25446
3937 1 10 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.556 -0.242 25446
3938 1 10 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.950 -0.078 25446
3939 1 10 . 1 1 84 84 VAL H H 84 8.240 8.240 8.051 0.189 25446
3940 1 10 . 1 1 85 85 GLU N N 85 125.076 125.076 126.589 -1.513 25446
3941 1 10 . 1 1 85 85 GLU H H 85 8.434 8.434 8.545 -0.111 25446
3942 1 10 . 1 1 86 86 ALA N N 86 126.280 126.280 123.461 2.819 25446
3943 1 10 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.556 -0.268 25446
3944 1 10 . 1 1 86 86 ALA H H 86 8.340 8.340 8.540 -0.200 25446
3945 1 10 . 1 1 87 87 LYS N N 87 121.709 121.709 124.300 -2.591 25446
3946 1 10 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.527 0.677 25446
3947 1 10 . 1 1 87 87 LYS H H 87 8.334 8.334 8.816 -0.482 25446
3948 1 10 . 1 1 88 88 LEU N N 88 125.379 125.379 116.959 8.420 25446
3949 1 10 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.195 -4.195 25446
3950 1 10 . 1 1 88 88 LEU H H 88 8.435 8.435 7.997 0.438 25446
3951 1 11 . 1 1 2 2 GLN N N 2 123.771 123.771 121.245 2.526 25446
3952 1 11 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.388 -0.258 25446
3953 1 11 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.558 1.991 25446
3954 1 11 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.154 1.008 25446
3955 1 11 . 1 1 2 2 GLN H H 2 9.634 9.634 8.586 1.048 25446
3956 1 11 . 1 1 3 3 HIS N N 3 119.013 119.013 118.043 0.970 25446
3957 1 11 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.143 1.041 25446
3958 1 11 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.542 -1.539 25446
3959 1 11 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.799 3.289 25446
3960 1 11 . 1 1 3 3 HIS H H 3 9.946 9.946 8.746 1.200 25446
3961 1 11 . 1 1 4 4 ALA N N 4 122.550 122.550 121.053 1.497 25446
3962 1 11 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.994 -0.103 25446
3963 1 11 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.031 1.529 25446
3964 1 11 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.956 -0.164 25446
3965 1 11 . 1 1 4 4 ALA H H 4 7.524 7.524 8.170 -0.646 25446
3966 1 11 . 1 1 5 5 SER N N 5 112.310 112.310 114.278 -1.968 25446
3967 1 11 . 1 1 5 5 SER HA H 5 4.295 4.295 4.185 0.110 25446
3968 1 11 . 1 1 5 5 SER CA C 5 62.089 62.089 61.791 0.298 25446
3969 1 11 . 1 1 5 5 SER CB C 5 62.421 62.421 62.513 -0.092 25446
3970 1 11 . 1 1 5 5 SER H H 5 8.772 8.772 8.308 0.464 25446
3971 1 11 . 1 1 6 6 VAL N N 6 122.625 122.625 122.179 0.446 25446
3972 1 11 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.826 0.285 25446
3973 1 11 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.285 -0.577 25446
3974 1 11 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.594 1.146 25446
3975 1 11 . 1 1 6 6 VAL H H 6 7.657 7.657 7.444 0.213 25446
3976 1 11 . 1 1 7 7 ILE N N 7 121.536 121.536 120.559 0.977 25446
3977 1 11 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.590 0.636 25446
3978 1 11 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.049 -0.756 25446
3979 1 11 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.216 1.415 25446
3980 1 11 . 1 1 7 7 ILE H H 7 8.526 8.526 7.433 1.093 25446
3981 1 11 . 1 1 8 8 ALA N N 8 121.229 121.229 121.705 -0.476 25446
3982 1 11 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.001 -0.105 25446
3983 1 11 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.505 0.737 25446
3984 1 11 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.402 0.329 25446
3985 1 11 . 1 1 8 8 ALA H H 8 8.946 8.946 7.805 1.141 25446
3986 1 11 . 1 1 9 9 GLN N N 9 114.998 114.998 119.233 -4.235 25446
3987 1 11 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.074 -0.201 25446
3988 1 11 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.081 0.878 25446
3989 1 11 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.127 -0.314 25446
3990 1 11 . 1 1 9 9 GLN H H 9 7.731 7.731 8.032 -0.301 25446
3991 1 11 . 1 1 10 10 PHE N N 10 120.075 120.075 122.692 -2.617 25446
3992 1 11 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.291 -0.213 25446
3993 1 11 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.812 -0.959 25446
3994 1 11 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.428 -0.605 25446
3995 1 11 . 1 1 10 10 PHE H H 10 7.299 7.299 8.869 -1.570 25446
3996 1 11 . 1 1 11 11 VAL N N 11 117.458 117.458 119.052 -1.594 25446
3997 1 11 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.962 -0.655 25446
3998 1 11 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.233 1.211 25446
3999 1 11 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.889 -0.201 25446
4000 1 11 . 1 1 11 11 VAL H H 11 8.363 8.363 8.001 0.362 25446
4001 1 11 . 1 1 12 12 VAL N N 12 117.722 117.722 119.693 -1.971 25446
4002 1 11 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.799 0.948 25446
4003 1 11 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.514 -0.595 25446
4004 1 11 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.242 0.025 25446
4005 1 11 . 1 1 12 12 VAL H H 12 8.289 8.289 8.108 0.181 25446
4006 1 11 . 1 1 13 13 GLU N N 13 117.827 117.827 119.658 -1.831 25446
4007 1 11 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.830 -0.088 25446
4008 1 11 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.279 -0.086 25446
4009 1 11 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.292 0.202 25446
4010 1 11 . 1 1 13 13 GLU H H 13 7.758 7.758 8.511 -0.753 25446
4011 1 11 . 1 1 14 14 GLU N N 14 113.425 113.425 119.669 -6.244 25446
4012 1 11 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.153 -0.381 25446
4013 1 11 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.417 -1.810 25446
4014 1 11 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.335 -0.836 25446
4015 1 11 . 1 1 14 14 GLU H H 14 7.604 7.604 7.698 -0.094 25446
4016 1 11 . 1 1 15 15 PHE N N 15 114.097 114.097 114.550 -0.453 25446
4017 1 11 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.794 0.147 25446
4018 1 11 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.393 2.600 25446
4019 1 11 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.240 2.752 25446
4020 1 11 . 1 1 15 15 PHE H H 15 7.916 7.916 7.457 0.459 25446
4021 1 11 . 1 1 16 16 LEU N N 16 121.405 121.405 121.489 -0.084 25446
4022 1 11 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.414 0.553 25446
4023 1 11 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.995 -0.678 25446
4024 1 11 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.562 3.173 25446
4025 1 11 . 1 1 16 16 LEU H H 16 8.046 8.046 7.367 0.679 25446
4026 1 11 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.471 -0.097 25446
4027 1 11 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.352 2.313 25446
4028 1 11 . 1 1 18 18 ASP N N 18 116.413 116.413 118.358 -1.945 25446
4029 1 11 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.576 0.008 25446
4030 1 11 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.497 0.093 25446
4031 1 11 . 1 1 18 18 ASP H H 18 8.415 8.415 8.447 -0.032 25446
4032 1 11 . 1 1 19 19 VAL N N 19 122.077 122.077 118.876 3.201 25446
4033 1 11 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.081 0.032 25446
4034 1 11 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.618 0.729 25446
4035 1 11 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.848 -0.461 25446
4036 1 11 . 1 1 19 19 VAL H H 19 7.771 7.771 7.325 0.446 25446
4037 1 11 . 1 1 20 20 ALA N N 20 129.197 129.197 130.024 -0.827 25446
4038 1 11 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.505 0.083 25446
4039 1 11 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.234 -0.006 25446
4040 1 11 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.346 -0.923 25446
4041 1 11 . 1 1 20 20 ALA H H 20 8.765 8.765 8.383 0.382 25446
4042 1 11 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.082 -0.008 25446
4043 1 11 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.634 0.507 25446
4044 1 11 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.689 -0.351 25446
4045 1 11 . 1 1 22 22 ALA N N 22 115.949 115.949 117.600 -1.651 25446
4046 1 11 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.168 -0.051 25446
4047 1 11 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.147 -0.364 25446
4048 1 11 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.427 0.325 25446
4049 1 11 . 1 1 22 22 ALA H H 22 8.074 8.074 7.937 0.137 25446
4050 1 11 . 1 1 23 23 ASP N N 23 115.451 115.451 117.409 -1.958 25446
4051 1 11 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.763 -0.111 25446
4052 1 11 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.845 0.599 25446
4053 1 11 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.280 -0.140 25446
4054 1 11 . 1 1 23 23 ASP H H 23 8.023 8.023 8.338 -0.315 25446
4055 1 11 . 1 1 24 24 VAL N N 24 121.382 121.382 120.898 0.484 25446
4056 1 11 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.125 -0.297 25446
4057 1 11 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.881 1.430 25446
4058 1 11 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.563 -1.699 25446
4059 1 11 . 1 1 24 24 VAL H H 24 7.072 7.072 7.402 -0.330 25446
4060 1 11 . 1 1 25 25 ASP N N 25 129.258 129.258 127.399 1.859 25446
4061 1 11 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.626 -0.054 25446
4062 1 11 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.590 -0.120 25446
4063 1 11 . 1 1 25 25 ASP H H 25 8.499 8.499 8.818 -0.319 25446
4064 1 11 . 1 1 26 26 VAL N N 26 121.736 121.736 118.917 2.819 25446
4065 1 11 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.850 0.258 25446
4066 1 11 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.752 0.724 25446
4067 1 11 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.912 -0.695 25446
4068 1 11 . 1 1 26 26 VAL H H 26 8.566 8.566 7.815 0.751 25446
4069 1 11 . 1 1 27 27 ASP N N 27 116.233 116.233 118.129 -1.896 25446
4070 1 11 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.698 0.456 25446
4071 1 11 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.401 -0.278 25446
4072 1 11 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.133 2.459 25446
4073 1 11 . 1 1 27 27 ASP H H 27 8.638 8.638 8.034 0.604 25446
4074 1 11 . 1 1 28 28 LEU N N 28 125.046 125.046 122.929 2.117 25446
4075 1 11 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.451 -0.425 25446
4076 1 11 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.798 1.069 25446
4077 1 11 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.474 -0.066 25446
4078 1 11 . 1 1 28 28 LEU H H 28 7.389 7.389 7.375 0.014 25446
4079 1 11 . 1 1 29 29 ASP N N 29 125.807 125.807 126.476 -0.669 25446
4080 1 11 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.713 0.118 25446
4081 1 11 . 1 1 29 29 ASP H H 29 8.731 8.731 8.635 0.096 25446
4082 1 11 . 1 1 30 30 LEU N N 30 130.007 130.007 124.791 5.216 25446
4083 1 11 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.083 -0.185 25446
4084 1 11 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.611 -0.192 25446
4085 1 11 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.611 0.512 25446
4086 1 11 . 1 1 30 30 LEU H H 30 9.744 9.744 8.318 1.426 25446
4087 1 11 . 1 1 31 31 VAL N N 31 121.093 121.093 121.440 -0.347 25446
4088 1 11 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.626 0.600 25446
4089 1 11 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.543 -1.153 25446
4090 1 11 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.066 1.115 25446
4091 1 11 . 1 1 31 31 VAL H H 31 8.166 8.166 7.659 0.507 25446
4092 1 11 . 1 1 32 32 ASP N N 32 124.657 124.657 119.895 4.762 25446
4093 1 11 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.362 0.002 25446
4094 1 11 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.997 0.122 25446
4095 1 11 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.088 0.672 25446
4096 1 11 . 1 1 32 32 ASP H H 32 9.365 9.365 8.051 1.314 25446
4097 1 11 . 1 1 33 33 ASN N N 33 111.260 111.260 117.385 -6.125 25446
4098 1 11 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.562 0.178 25446
4099 1 11 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.718 1.094 25446
4100 1 11 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.986 1.120 25446
4101 1 11 . 1 1 33 33 ASN H H 33 7.423 7.423 7.839 -0.416 25446
4102 1 11 . 1 1 34 34 GLY N N 34 106.935 106.935 110.180 -3.245 25446
4103 1 11 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.091 -0.467 25446
4104 1 11 . 1 1 34 34 GLY H H 34 7.648 7.648 8.654 -1.006 25446
4105 1 11 . 1 1 35 35 VAL N N 35 120.307 120.307 123.193 -2.886 25446
4106 1 11 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.675 0.105 25446
4107 1 11 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.632 0.393 25446
4108 1 11 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.495 0.293 25446
4109 1 11 . 1 1 35 35 VAL H H 35 7.838 7.838 7.458 0.380 25446
4110 1 11 . 1 1 36 36 ILE N N 36 116.154 116.154 119.489 -3.335 25446
4111 1 11 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.781 -0.022 25446
4112 1 11 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.580 -3.004 25446
4113 1 11 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.411 1.814 25446
4114 1 11 . 1 1 36 36 ILE H H 36 7.337 7.337 8.618 -1.281 25446
4115 1 11 . 1 1 37 37 ASP N N 37 126.730 126.730 120.214 6.516 25446
4116 1 11 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.665 1.064 25446
4117 1 11 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.857 -5.220 25446
4118 1 11 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.230 1.021 25446
4119 1 11 . 1 1 37 37 ASP H H 37 7.921 7.921 8.234 -0.313 25446
4120 1 11 . 1 1 38 38 SER N N 38 113.176 113.176 113.306 -0.130 25446
4121 1 11 . 1 1 38 38 SER HA H 38 4.122 4.122 4.341 -0.219 25446
4122 1 11 . 1 1 38 38 SER CA C 38 61.062 61.062 60.170 0.892 25446
4123 1 11 . 1 1 39 39 LEU N N 39 122.521 122.521 123.156 -0.635 25446
4124 1 11 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.054 0.219 25446
4125 1 11 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.554 -1.185 25446
4126 1 11 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.997 -0.738 25446
4127 1 11 . 1 1 39 39 LEU H H 39 7.675 7.675 7.865 -0.190 25446
4128 1 11 . 1 1 40 40 GLY N N 40 111.971 111.971 106.263 5.708 25446
4129 1 11 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.890 1.230 25446
4130 1 11 . 1 1 40 40 GLY H H 40 8.776 8.776 7.559 1.217 25446
4131 1 11 . 1 1 41 41 LEU N N 41 122.579 122.579 123.809 -1.230 25446
4132 1 11 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.130 -0.285 25446
4133 1 11 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.579 0.686 25446
4134 1 11 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.853 -0.274 25446
4135 1 11 . 1 1 41 41 LEU H H 41 8.551 8.551 8.382 0.169 25446
4136 1 11 . 1 1 42 42 LEU N N 42 116.126 116.126 119.473 -3.347 25446
4137 1 11 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.893 0.116 25446
4138 1 11 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.735 -0.634 25446
4139 1 11 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.672 -0.725 25446
4140 1 11 . 1 1 42 42 LEU H H 42 7.213 7.213 8.253 -1.040 25446
4141 1 11 . 1 1 43 43 LYS N N 43 119.793 119.793 119.364 0.429 25446
4142 1 11 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.062 0.220 25446
4143 1 11 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.949 -0.379 25446
4144 1 11 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.354 0.183 25446
4145 1 11 . 1 1 43 43 LYS H H 43 7.664 7.664 7.491 0.173 25446
4146 1 11 . 1 1 44 44 VAL N N 44 121.147 121.147 120.588 0.559 25446
4147 1 11 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.984 -0.047 25446
4148 1 11 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.704 0.114 25446
4149 1 11 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.690 -0.131 25446
4150 1 11 . 1 1 44 44 VAL H H 44 8.278 8.278 8.457 -0.179 25446
4151 1 11 . 1 1 45 45 ILE N N 45 119.222 119.222 120.539 -1.317 25446
4152 1 11 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.750 -0.345 25446
4153 1 11 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.531 2.530 25446
4154 1 11 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.953 2.286 25446
4155 1 11 . 1 1 45 45 ILE H H 45 8.127 8.127 8.800 -0.673 25446
4156 1 11 . 1 1 46 46 ALA N N 46 121.011 121.011 123.112 -2.101 25446
4157 1 11 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.150 0.082 25446
4158 1 11 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.270 -0.310 25446
4159 1 11 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.356 -0.016 25446
4160 1 11 . 1 1 46 46 ALA H H 46 7.811 7.811 8.512 -0.701 25446
4161 1 11 . 1 1 47 47 TRP N N 47 121.158 121.158 120.890 0.268 25446
4162 1 11 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.521 -0.286 25446
4163 1 11 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.290 2.544 25446
4164 1 11 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.584 -1.364 25446
4165 1 11 . 1 1 47 47 TRP H H 47 8.094 8.094 7.928 0.166 25446
4166 1 11 . 1 1 48 48 LEU N N 48 118.890 118.890 121.399 -2.509 25446
4167 1 11 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.117 0.456 25446
4168 1 11 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.083 0.109 25446
4169 1 11 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.393 0.861 25446
4170 1 11 . 1 1 48 48 LEU H H 48 8.704 8.704 8.562 0.142 25446
4171 1 11 . 1 1 49 49 GLU N N 49 118.917 118.917 118.011 0.906 25446
4172 1 11 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.994 0.052 25446
4173 1 11 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.148 0.560 25446
4174 1 11 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.760 0.856 25446
4175 1 11 . 1 1 49 49 GLU H H 49 7.808 7.808 8.514 -0.706 25446
4176 1 11 . 1 1 50 50 ASP N N 50 119.614 119.614 120.435 -0.821 25446
4177 1 11 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.490 -0.250 25446
4178 1 11 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.594 0.415 25446
4179 1 11 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.892 1.485 25446
4180 1 11 . 1 1 50 50 ASP H H 50 7.677 7.677 7.576 0.101 25446
4181 1 11 . 1 1 51 51 ARG N N 51 116.918 116.918 118.385 -1.467 25446
4182 1 11 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.089 -0.364 25446
4183 1 11 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.807 -2.519 25446
4184 1 11 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.670 -1.386 25446
4185 1 11 . 1 1 51 51 ARG H H 51 8.876 8.876 7.727 1.149 25446
4186 1 11 . 1 1 52 52 PHE N N 52 112.278 112.278 114.426 -2.148 25446
4187 1 11 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.619 0.038 25446
4188 1 11 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.338 -1.288 25446
4189 1 11 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.924 0.828 25446
4190 1 11 . 1 1 52 52 PHE H H 52 7.330 7.330 7.663 -0.333 25446
4191 1 11 . 1 1 53 53 GLY N N 53 109.717 109.717 109.126 0.591 25446
4192 1 11 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.585 1.061 25446
4193 1 11 . 1 1 53 53 GLY H H 53 7.411 7.411 8.163 -0.752 25446
4194 1 11 . 1 1 54 54 ILE N N 54 119.148 119.148 119.842 -0.694 25446
4195 1 11 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.088 -0.145 25446
4196 1 11 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.715 -0.115 25446
4197 1 11 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.902 0.607 25446
4198 1 11 . 1 1 54 54 ILE H H 54 6.901 6.901 7.930 -1.029 25446
4199 1 11 . 1 1 55 55 ALA N N 55 129.774 129.774 127.240 2.534 25446
4200 1 11 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.332 0.070 25446
4201 1 11 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.001 -0.353 25446
4202 1 11 . 1 1 55 55 ALA H H 55 8.538 8.538 8.564 -0.026 25446
4203 1 11 . 1 1 56 56 ALA N N 56 126.034 126.034 127.518 -1.484 25446
4204 1 11 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.107 0.166 25446
4205 1 11 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.682 -0.070 25446
4206 1 11 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.548 0.574 25446
4207 1 11 . 1 1 56 56 ALA H H 56 8.620 8.620 8.841 -0.221 25446
4208 1 11 . 1 1 57 57 ASP N N 57 115.649 115.649 118.379 -2.730 25446
4209 1 11 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.498 -0.022 25446
4210 1 11 . 1 1 57 57 ASP CA C 57 55.170 55.170 55.308 -0.138 25446
4211 1 11 . 1 1 57 57 ASP H H 57 8.321 8.321 8.354 -0.033 25446
4212 1 11 . 1 1 58 58 ASP N N 58 118.298 118.298 119.733 -1.435 25446
4213 1 11 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.568 0.100 25446
4214 1 11 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.094 -0.292 25446
4215 1 11 . 1 1 58 58 ASP H H 58 7.971 7.971 7.856 0.115 25446
4216 1 11 . 1 1 59 59 VAL N N 59 118.443 118.443 122.645 -4.202 25446
4217 1 11 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.331 -0.122 25446
4218 1 11 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.493 0.577 25446
4219 1 11 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.286 1.044 25446
4220 1 11 . 1 1 59 59 VAL H H 59 7.700 7.700 8.103 -0.403 25446
4221 1 11 . 1 1 60 60 GLU N N 60 122.777 122.777 119.338 3.439 25446
4222 1 11 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.181 0.102 25446
4223 1 11 . 1 1 60 60 GLU CA C 60 56.318 56.318 57.242 -0.924 25446
4224 1 11 . 1 1 60 60 GLU CB C 60 29.877 29.877 29.721 0.157 25446
4225 1 11 . 1 1 60 60 GLU H H 60 8.416 8.416 8.353 0.063 25446
4226 1 11 . 1 1 61 61 LEU N N 61 124.910 124.910 119.861 5.049 25446
4227 1 11 . 1 1 61 61 LEU HA H 61 4.357 4.357 3.878 0.479 25446
4228 1 11 . 1 1 61 61 LEU CA C 61 55.162 55.162 55.505 -0.343 25446
4229 1 11 . 1 1 61 61 LEU CB C 61 41.845 41.845 41.894 -0.049 25446
4230 1 11 . 1 1 61 61 LEU H H 61 8.249 8.249 7.697 0.552 25446
4231 1 11 . 1 1 62 62 SER N N 62 118.228 118.228 118.952 -0.724 25446
4232 1 11 . 1 1 62 62 SER HA H 62 4.816 4.816 4.951 -0.135 25446
4233 1 11 . 1 1 62 62 SER CB C 62 63.963 63.963 63.864 0.099 25446
4234 1 11 . 1 1 62 62 SER H H 62 8.025 8.025 7.907 0.118 25446
4235 1 11 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.491 -0.237 25446
4236 1 11 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.481 -0.587 25446
4237 1 11 . 1 1 64 64 GLU N N 64 116.457 116.457 117.743 -1.286 25446
4238 1 11 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.153 -0.286 25446
4239 1 11 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.045 -0.299 25446
4240 1 11 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.022 -0.315 25446
4241 1 11 . 1 1 64 64 GLU H H 64 8.310 8.310 9.025 -0.715 25446
4242 1 11 . 1 1 65 65 HIS N N 65 114.998 114.998 119.547 -4.549 25446
4243 1 11 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.196 0.101 25446
4244 1 11 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.558 -1.193 25446
4245 1 11 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.713 -0.106 25446
4246 1 11 . 1 1 65 65 HIS H H 65 7.324 7.324 8.413 -1.089 25446
4247 1 11 . 1 1 66 66 PHE N N 66 115.965 115.965 116.036 -0.071 25446
4248 1 11 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.428 0.354 25446
4249 1 11 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.375 -2.709 25446
4250 1 11 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.067 0.917 25446
4251 1 11 . 1 1 66 66 PHE H H 66 7.245 7.245 7.595 -0.350 25446
4252 1 11 . 1 1 67 67 ARG N N 67 112.179 112.179 120.078 -7.899 25446
4253 1 11 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.015 0.069 25446
4254 1 11 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.160 0.131 25446
4255 1 11 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.860 0.777 25446
4256 1 11 . 1 1 67 67 ARG H H 67 6.632 6.632 7.658 -1.026 25446
4257 1 11 . 1 1 68 68 SER N N 68 109.181 109.181 106.853 2.328 25446
4258 1 11 . 1 1 68 68 SER HA H 68 4.985 4.985 4.819 0.166 25446
4259 1 11 . 1 1 68 68 SER CA C 68 55.664 55.664 56.638 -0.974 25446
4260 1 11 . 1 1 68 68 SER CB C 68 67.608 67.608 65.818 1.790 25446
4261 1 11 . 1 1 68 68 SER H H 68 8.139 8.139 7.339 0.800 25446
4262 1 11 . 1 1 69 69 ILE N N 69 122.526 122.526 123.031 -0.505 25446
4263 1 11 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.751 -0.069 25446
4264 1 11 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.382 1.356 25446
4265 1 11 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.841 -0.853 25446
4266 1 11 . 1 1 69 69 ILE H H 69 9.770 9.770 8.934 0.836 25446
4267 1 11 . 1 1 70 70 ARG N N 70 118.671 118.671 119.874 -1.203 25446
4268 1 11 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.908 0.060 25446
4269 1 11 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.818 0.511 25446
4270 1 11 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.830 0.470 25446
4271 1 11 . 1 1 70 70 ARG H H 70 8.860 8.860 8.449 0.411 25446
4272 1 11 . 1 1 71 71 SER N N 71 117.722 117.722 115.048 2.674 25446
4273 1 11 . 1 1 71 71 SER HA H 71 4.346 4.346 4.191 0.155 25446
4274 1 11 . 1 1 71 71 SER CB C 71 62.962 62.962 62.818 0.144 25446
4275 1 11 . 1 1 71 71 SER H H 71 8.534 8.534 7.640 0.894 25446
4276 1 11 . 1 1 72 72 ILE N N 72 127.380 127.380 123.454 3.926 25446
4277 1 11 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.654 0.271 25446
4278 1 11 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.681 2.064 25446
4279 1 11 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.618 -0.257 25446
4280 1 11 . 1 1 72 72 ILE H H 72 8.789 8.789 7.202 1.587 25446
4281 1 11 . 1 1 73 73 ASP N N 73 121.443 121.443 120.832 0.611 25446
4282 1 11 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.257 -0.245 25446
4283 1 11 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.370 1.730 25446
4284 1 11 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.589 3.091 25446
4285 1 11 . 1 1 73 73 ASP H H 73 8.699 8.699 8.107 0.592 25446
4286 1 11 . 1 1 74 74 ALA N N 74 118.799 118.799 122.769 -3.970 25446
4287 1 11 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.057 -0.018 25446
4288 1 11 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.066 0.169 25446
4289 1 11 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.565 -0.616 25446
4290 1 11 . 1 1 74 74 ALA H H 74 8.042 8.042 7.642 0.400 25446
4291 1 11 . 1 1 75 75 PHE N N 75 121.125 121.125 119.724 1.401 25446
4292 1 11 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.102 -0.057 25446
4293 1 11 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.819 -0.868 25446
4294 1 11 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.466 -0.595 25446
4295 1 11 . 1 1 75 75 PHE H H 75 8.369 8.369 7.872 0.497 25446
4296 1 11 . 1 1 76 76 VAL N N 76 120.715 120.715 119.198 1.517 25446
4297 1 11 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.559 -0.609 25446
4298 1 11 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.489 0.340 25446
4299 1 11 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.325 -0.098 25446
4300 1 11 . 1 1 76 76 VAL H H 76 8.555 8.555 8.345 0.210 25446
4301 1 11 . 1 1 77 77 VAL N N 77 121.286 121.286 119.428 1.858 25446
4302 1 11 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.514 -0.021 25446
4303 1 11 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.357 0.421 25446
4304 1 11 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.562 0.304 25446
4305 1 11 . 1 1 77 77 VAL H H 77 8.770 8.770 8.348 0.422 25446
4306 1 11 . 1 1 78 78 GLY N N 78 106.349 106.349 105.465 0.884 25446
4307 1 11 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.513 0.119 25446
4308 1 11 . 1 1 78 78 GLY H H 78 7.976 7.976 8.030 -0.054 25446
4309 1 11 . 1 1 79 79 ALA N N 79 120.998 120.998 121.523 -0.525 25446
4310 1 11 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.480 -0.273 25446
4311 1 11 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.683 0.113 25446
4312 1 11 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.611 -1.345 25446
4313 1 11 . 1 1 79 79 ALA H H 79 7.647 7.647 7.286 0.361 25446
4314 1 11 . 1 1 80 80 THR N N 80 107.402 107.402 112.629 -5.227 25446
4315 1 11 . 1 1 80 80 THR HA H 80 4.454 4.454 4.349 0.105 25446
4316 1 11 . 1 1 80 80 THR CA C 80 61.337 61.337 61.422 -0.085 25446
4317 1 11 . 1 1 80 80 THR CB C 80 70.703 70.703 69.726 0.977 25446
4318 1 11 . 1 1 80 80 THR H H 80 7.469 7.469 8.215 -0.746 25446
4319 1 11 . 1 1 81 81 THR N N 81 119.746 119.746 117.867 1.879 25446
4320 1 11 . 1 1 81 81 THR HA H 81 4.668 4.668 4.630 0.038 25446
4321 1 11 . 1 1 81 81 THR CA C 81 60.448 60.448 58.641 1.807 25446
4322 1 11 . 1 1 81 81 THR CB C 81 70.062 70.062 69.391 0.671 25446
4323 1 11 . 1 1 81 81 THR H H 81 7.684 7.684 7.958 -0.274 25446
4324 1 11 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.856 -0.157 25446
4325 1 11 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.839 0.771 25446
4326 1 11 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.940 -0.936 25446
4327 1 11 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.433 0.040 25446
4328 1 11 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.376 0.435 25446
4329 1 11 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.558 -0.477 25446
4330 1 11 . 1 1 84 84 VAL N N 84 120.611 120.611 122.337 -1.726 25446
4331 1 11 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.411 -0.364 25446
4332 1 11 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.322 1.991 25446
4333 1 11 . 1 1 84 84 VAL CB C 84 32.872 32.872 35.338 -2.466 25446
4334 1 11 . 1 1 84 84 VAL H H 84 8.240 8.240 8.226 0.014 25446
4335 1 11 . 1 1 85 85 GLU N N 85 125.076 125.076 125.258 -0.182 25446
4336 1 11 . 1 1 85 85 GLU H H 85 8.434 8.434 8.752 -0.318 25446
4337 1 11 . 1 1 86 86 ALA N N 86 126.280 126.280 118.136 8.144 25446
4338 1 11 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.925 1.363 25446
4339 1 11 . 1 1 86 86 ALA H H 86 8.340 8.340 7.520 0.820 25446
4340 1 11 . 1 1 87 87 LYS N N 87 121.709 121.709 121.938 -0.229 25446
4341 1 11 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.018 1.186 25446
4342 1 11 . 1 1 87 87 LYS H H 87 8.334 8.334 9.575 -1.241 25446
4343 1 11 . 1 1 88 88 LEU N N 88 125.379 125.379 118.236 7.143 25446
4344 1 11 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.980 -3.980 25446
4345 1 11 . 1 1 88 88 LEU H H 88 8.435 8.435 7.923 0.512 25446
4346 1 12 . 1 1 2 2 GLN N N 2 123.771 123.771 122.998 0.773 25446
4347 1 12 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.591 -0.461 25446
4348 1 12 . 1 1 2 2 GLN CA C 2 57.549 57.549 54.936 2.613 25446
4349 1 12 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.614 -0.452 25446
4350 1 12 . 1 1 2 2 GLN H H 2 9.634 9.634 8.501 1.133 25446
4351 1 12 . 1 1 3 3 HIS N N 3 119.013 119.013 117.248 1.765 25446
4352 1 12 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.089 1.095 25446
4353 1 12 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.163 -2.160 25446
4354 1 12 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.537 1.551 25446
4355 1 12 . 1 1 3 3 HIS H H 3 9.946 9.946 8.933 1.013 25446
4356 1 12 . 1 1 4 4 ALA N N 4 122.550 122.550 120.400 2.150 25446
4357 1 12 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.976 -0.085 25446
4358 1 12 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.338 1.222 25446
4359 1 12 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.987 -0.195 25446
4360 1 12 . 1 1 4 4 ALA H H 4 7.524 7.524 8.264 -0.740 25446
4361 1 12 . 1 1 5 5 SER N N 5 112.310 112.310 113.543 -1.233 25446
4362 1 12 . 1 1 5 5 SER HA H 5 4.295 4.295 4.130 0.165 25446
4363 1 12 . 1 1 5 5 SER CA C 5 62.089 62.089 62.023 0.066 25446
4364 1 12 . 1 1 5 5 SER CB C 5 62.421 62.421 62.184 0.237 25446
4365 1 12 . 1 1 5 5 SER H H 5 8.772 8.772 8.225 0.547 25446
4366 1 12 . 1 1 6 6 VAL N N 6 122.625 122.625 122.303 0.322 25446
4367 1 12 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.858 0.253 25446
4368 1 12 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.576 -0.868 25446
4369 1 12 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.588 1.152 25446
4370 1 12 . 1 1 6 6 VAL H H 6 7.657 7.657 7.866 -0.209 25446
4371 1 12 . 1 1 7 7 ILE N N 7 121.536 121.536 120.687 0.849 25446
4372 1 12 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.755 0.471 25446
4373 1 12 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.730 -0.437 25446
4374 1 12 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.405 1.226 25446
4375 1 12 . 1 1 7 7 ILE H H 7 8.526 8.526 8.294 0.232 25446
4376 1 12 . 1 1 8 8 ALA N N 8 121.229 121.229 121.966 -0.737 25446
4377 1 12 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.064 -0.168 25446
4378 1 12 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.648 0.594 25446
4379 1 12 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.314 0.416 25446
4380 1 12 . 1 1 8 8 ALA H H 8 8.946 8.946 8.475 0.471 25446
4381 1 12 . 1 1 9 9 GLN N N 9 114.998 114.998 118.231 -3.233 25446
4382 1 12 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.082 -0.209 25446
4383 1 12 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.627 0.332 25446
4384 1 12 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.548 -0.735 25446
4385 1 12 . 1 1 9 9 GLN H H 9 7.731 7.731 8.237 -0.506 25446
4386 1 12 . 1 1 10 10 PHE N N 10 120.075 120.075 122.134 -2.059 25446
4387 1 12 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.205 -0.127 25446
4388 1 12 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.379 -0.526 25446
4389 1 12 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.422 -0.599 25446
4390 1 12 . 1 1 10 10 PHE H H 10 7.299 7.299 8.633 -1.334 25446
4391 1 12 . 1 1 11 11 VAL N N 11 117.458 117.458 118.451 -0.993 25446
4392 1 12 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.677 -0.370 25446
4393 1 12 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.445 -0.001 25446
4394 1 12 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.438 -0.750 25446
4395 1 12 . 1 1 11 11 VAL H H 11 8.363 8.363 7.991 0.372 25446
4396 1 12 . 1 1 12 12 VAL N N 12 117.722 117.722 117.060 0.662 25446
4397 1 12 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.895 -0.148 25446
4398 1 12 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.413 -0.494 25446
4399 1 12 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.190 0.077 25446
4400 1 12 . 1 1 12 12 VAL H H 12 8.289 8.289 7.804 0.485 25446
4401 1 12 . 1 1 13 13 GLU N N 13 117.827 117.827 118.503 -0.676 25446
4402 1 12 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.941 -0.199 25446
4403 1 12 . 1 1 13 13 GLU CA C 13 59.193 59.193 58.856 0.337 25446
4404 1 12 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.335 0.159 25446
4405 1 12 . 1 1 13 13 GLU H H 13 7.758 7.758 7.921 -0.163 25446
4406 1 12 . 1 1 14 14 GLU N N 14 113.425 113.425 116.945 -3.520 25446
4407 1 12 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.746 0.026 25446
4408 1 12 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.872 -1.265 25446
4409 1 12 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.084 0.415 25446
4410 1 12 . 1 1 14 14 GLU H H 14 7.604 7.604 7.500 0.104 25446
4411 1 12 . 1 1 15 15 PHE N N 15 114.097 114.097 116.170 -2.073 25446
4412 1 12 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.529 0.412 25446
4413 1 12 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.413 -1.420 25446
4414 1 12 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.521 1.471 25446
4415 1 12 . 1 1 15 15 PHE H H 15 7.916 7.916 7.242 0.674 25446
4416 1 12 . 1 1 16 16 LEU N N 16 121.405 121.405 120.139 1.266 25446
4417 1 12 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.831 0.136 25446
4418 1 12 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.591 -0.274 25446
4419 1 12 . 1 1 16 16 LEU CB C 16 44.735 44.735 44.565 0.170 25446
4420 1 12 . 1 1 16 16 LEU H H 16 8.046 8.046 8.504 -0.458 25446
4421 1 12 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.583 -0.209 25446
4422 1 12 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.077 1.588 25446
4423 1 12 . 1 1 18 18 ASP N N 18 116.413 116.413 118.421 -2.008 25446
4424 1 12 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.601 -0.017 25446
4425 1 12 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.540 0.050 25446
4426 1 12 . 1 1 18 18 ASP H H 18 8.415 8.415 8.672 -0.257 25446
4427 1 12 . 1 1 19 19 VAL N N 19 122.077 122.077 119.905 2.172 25446
4428 1 12 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.157 -0.044 25446
4429 1 12 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.089 0.258 25446
4430 1 12 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.556 -1.169 25446
4431 1 12 . 1 1 19 19 VAL H H 19 7.771 7.771 7.131 0.640 25446
4432 1 12 . 1 1 20 20 ALA N N 20 129.197 129.197 128.753 0.444 25446
4433 1 12 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.384 0.204 25446
4434 1 12 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.840 -0.612 25446
4435 1 12 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.069 -0.646 25446
4436 1 12 . 1 1 20 20 ALA H H 20 8.765 8.765 8.521 0.244 25446
4437 1 12 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.174 -0.100 25446
4438 1 12 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.136 1.005 25446
4439 1 12 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.859 -0.521 25446
4440 1 12 . 1 1 22 22 ALA N N 22 115.949 115.949 118.026 -2.077 25446
4441 1 12 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.184 -0.067 25446
4442 1 12 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.446 0.338 25446
4443 1 12 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.264 0.488 25446
4444 1 12 . 1 1 22 22 ALA H H 22 8.074 8.074 8.425 -0.351 25446
4445 1 12 . 1 1 23 23 ASP N N 23 115.451 115.451 117.506 -2.055 25446
4446 1 12 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.726 -0.074 25446
4447 1 12 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.798 0.646 25446
4448 1 12 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.923 0.217 25446
4449 1 12 . 1 1 23 23 ASP H H 23 8.023 8.023 7.743 0.280 25446
4450 1 12 . 1 1 24 24 VAL N N 24 121.382 121.382 121.078 0.304 25446
4451 1 12 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.109 -0.281 25446
4452 1 12 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.130 1.181 25446
4453 1 12 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.029 -1.165 25446
4454 1 12 . 1 1 24 24 VAL H H 24 7.072 7.072 7.271 -0.199 25446
4455 1 12 . 1 1 25 25 ASP N N 25 129.258 129.258 127.925 1.333 25446
4456 1 12 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.610 -0.038 25446
4457 1 12 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.610 -0.140 25446
4458 1 12 . 1 1 25 25 ASP H H 25 8.499 8.499 8.905 -0.406 25446
4459 1 12 . 1 1 26 26 VAL N N 26 121.736 121.736 118.177 3.559 25446
4460 1 12 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.874 0.234 25446
4461 1 12 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.899 0.577 25446
4462 1 12 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.917 -0.700 25446
4463 1 12 . 1 1 26 26 VAL H H 26 8.566 8.566 7.990 0.576 25446
4464 1 12 . 1 1 27 27 ASP N N 27 116.233 116.233 118.113 -1.880 25446
4465 1 12 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.713 0.441 25446
4466 1 12 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.287 -0.164 25446
4467 1 12 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.842 1.750 25446
4468 1 12 . 1 1 27 27 ASP H H 27 8.638 8.638 7.975 0.663 25446
4469 1 12 . 1 1 28 28 LEU N N 28 125.046 125.046 122.600 2.446 25446
4470 1 12 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.523 -0.497 25446
4471 1 12 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.641 1.226 25446
4472 1 12 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.876 -0.467 25446
4473 1 12 . 1 1 28 28 LEU H H 28 7.389 7.389 7.558 -0.169 25446
4474 1 12 . 1 1 29 29 ASP N N 29 125.807 125.807 125.563 0.244 25446
4475 1 12 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.655 0.176 25446
4476 1 12 . 1 1 29 29 ASP H H 29 8.731 8.731 8.668 0.063 25446
4477 1 12 . 1 1 30 30 LEU N N 30 130.007 130.007 121.488 8.519 25446
4478 1 12 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.352 -0.454 25446
4479 1 12 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.457 -0.038 25446
4480 1 12 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.562 0.561 25446
4481 1 12 . 1 1 30 30 LEU H H 30 9.744 9.744 8.441 1.303 25446
4482 1 12 . 1 1 31 31 VAL N N 31 121.093 121.093 122.959 -1.866 25446
4483 1 12 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.669 0.557 25446
4484 1 12 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.729 -1.338 25446
4485 1 12 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.198 0.983 25446
4486 1 12 . 1 1 31 31 VAL H H 31 8.166 8.166 7.832 0.334 25446
4487 1 12 . 1 1 32 32 ASP N N 32 124.657 124.657 119.565 5.092 25446
4488 1 12 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.388 -0.024 25446
4489 1 12 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.037 0.082 25446
4490 1 12 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.143 0.617 25446
4491 1 12 . 1 1 32 32 ASP H H 32 9.365 9.365 7.998 1.367 25446
4492 1 12 . 1 1 33 33 ASN N N 33 111.260 111.260 118.009 -6.749 25446
4493 1 12 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.694 0.046 25446
4494 1 12 . 1 1 33 33 ASN CA C 33 53.812 53.812 53.075 0.737 25446
4495 1 12 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.049 1.057 25446
4496 1 12 . 1 1 33 33 ASN H H 33 7.423 7.423 8.020 -0.597 25446
4497 1 12 . 1 1 34 34 GLY N N 34 106.935 106.935 109.406 -2.471 25446
4498 1 12 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.060 -0.436 25446
4499 1 12 . 1 1 34 34 GLY H H 34 7.648 7.648 8.616 -0.968 25446
4500 1 12 . 1 1 35 35 VAL N N 35 120.307 120.307 122.839 -2.532 25446
4501 1 12 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.490 0.290 25446
4502 1 12 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.793 -0.768 25446
4503 1 12 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.759 0.030 25446
4504 1 12 . 1 1 35 35 VAL H H 35 7.838 7.838 7.371 0.467 25446
4505 1 12 . 1 1 36 36 ILE N N 36 116.154 116.154 119.089 -2.935 25446
4506 1 12 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.434 0.325 25446
4507 1 12 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.626 -3.050 25446
4508 1 12 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.489 1.736 25446
4509 1 12 . 1 1 36 36 ILE H H 36 7.337 7.337 8.523 -1.186 25446
4510 1 12 . 1 1 37 37 ASP N N 37 126.730 126.730 120.144 6.586 25446
4511 1 12 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.815 0.914 25446
4512 1 12 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.772 -5.135 25446
4513 1 12 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.328 0.923 25446
4514 1 12 . 1 1 37 37 ASP H H 37 7.921 7.921 8.097 -0.176 25446
4515 1 12 . 1 1 38 38 SER N N 38 113.176 113.176 113.646 -0.470 25446
4516 1 12 . 1 1 38 38 SER HA H 38 4.122 4.122 4.504 -0.382 25446
4517 1 12 . 1 1 38 38 SER CA C 38 61.062 61.062 60.055 1.007 25446
4518 1 12 . 1 1 39 39 LEU N N 39 122.521 122.521 122.428 0.093 25446
4519 1 12 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.114 0.159 25446
4520 1 12 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.238 -0.868 25446
4521 1 12 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.996 -0.737 25446
4522 1 12 . 1 1 39 39 LEU H H 39 7.675 7.675 7.692 -0.017 25446
4523 1 12 . 1 1 40 40 GLY N N 40 111.971 111.971 106.551 5.420 25446
4524 1 12 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.934 1.186 25446
4525 1 12 . 1 1 40 40 GLY H H 40 8.776 8.776 7.481 1.295 25446
4526 1 12 . 1 1 41 41 LEU N N 41 122.579 122.579 123.214 -0.635 25446
4527 1 12 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.037 -0.192 25446
4528 1 12 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.630 0.634 25446
4529 1 12 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.917 -0.338 25446
4530 1 12 . 1 1 41 41 LEU H H 41 8.551 8.551 8.414 0.137 25446
4531 1 12 . 1 1 42 42 LEU N N 42 116.126 116.126 119.422 -3.296 25446
4532 1 12 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.972 0.037 25446
4533 1 12 . 1 1 42 42 LEU CA C 42 58.101 58.101 57.773 0.328 25446
4534 1 12 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.046 -0.099 25446
4535 1 12 . 1 1 42 42 LEU H H 42 7.213 7.213 7.838 -0.625 25446
4536 1 12 . 1 1 43 43 LYS N N 43 119.793 119.793 119.205 0.588 25446
4537 1 12 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.048 0.234 25446
4538 1 12 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.892 -0.323 25446
4539 1 12 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.325 0.212 25446
4540 1 12 . 1 1 43 43 LYS H H 43 7.664 7.664 7.481 0.183 25446
4541 1 12 . 1 1 44 44 VAL N N 44 121.147 121.147 121.084 0.063 25446
4542 1 12 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.069 -0.133 25446
4543 1 12 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.602 0.216 25446
4544 1 12 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.304 0.255 25446
4545 1 12 . 1 1 44 44 VAL H H 44 8.278 8.278 8.508 -0.230 25446
4546 1 12 . 1 1 45 45 ILE N N 45 119.222 119.222 120.398 -1.176 25446
4547 1 12 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.786 -0.381 25446
4548 1 12 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.725 2.336 25446
4549 1 12 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.939 2.300 25446
4550 1 12 . 1 1 45 45 ILE H H 45 8.127 8.127 7.899 0.228 25446
4551 1 12 . 1 1 46 46 ALA N N 46 121.011 121.011 123.050 -2.039 25446
4552 1 12 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.170 0.062 25446
4553 1 12 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.979 -0.019 25446
4554 1 12 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.665 -0.325 25446
4555 1 12 . 1 1 46 46 ALA H H 46 7.811 7.811 7.699 0.112 25446
4556 1 12 . 1 1 47 47 TRP N N 47 121.158 121.158 121.099 0.059 25446
4557 1 12 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.417 -0.182 25446
4558 1 12 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.527 1.307 25446
4559 1 12 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.865 -1.645 25446
4560 1 12 . 1 1 47 47 TRP H H 47 8.094 8.094 8.460 -0.366 25446
4561 1 12 . 1 1 48 48 LEU N N 48 118.890 118.890 121.542 -2.652 25446
4562 1 12 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.806 0.767 25446
4563 1 12 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.727 -0.535 25446
4564 1 12 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.743 0.511 25446
4565 1 12 . 1 1 48 48 LEU H H 48 8.704 8.704 9.178 -0.474 25446
4566 1 12 . 1 1 49 49 GLU N N 49 118.917 118.917 118.823 0.094 25446
4567 1 12 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.082 -0.036 25446
4568 1 12 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.723 -0.015 25446
4569 1 12 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.362 0.254 25446
4570 1 12 . 1 1 49 49 GLU H H 49 7.808 7.808 8.033 -0.225 25446
4571 1 12 . 1 1 50 50 ASP N N 50 119.614 119.614 119.639 -0.025 25446
4572 1 12 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.385 -0.145 25446
4573 1 12 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.452 0.557 25446
4574 1 12 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.875 1.502 25446
4575 1 12 . 1 1 50 50 ASP H H 50 7.677 7.677 7.663 0.014 25446
4576 1 12 . 1 1 51 51 ARG N N 51 116.918 116.918 117.609 -0.691 25446
4577 1 12 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.002 -0.277 25446
4578 1 12 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.017 -1.729 25446
4579 1 12 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.721 -1.437 25446
4580 1 12 . 1 1 51 51 ARG H H 51 8.876 8.876 7.523 1.353 25446
4581 1 12 . 1 1 52 52 PHE N N 52 112.278 112.278 114.557 -2.279 25446
4582 1 12 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.567 0.090 25446
4583 1 12 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.537 -1.487 25446
4584 1 12 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.696 1.056 25446
4585 1 12 . 1 1 52 52 PHE H H 52 7.330 7.330 8.051 -0.721 25446
4586 1 12 . 1 1 53 53 GLY N N 53 109.717 109.717 108.534 1.183 25446
4587 1 12 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.538 1.108 25446
4588 1 12 . 1 1 53 53 GLY H H 53 7.411 7.411 8.144 -0.733 25446
4589 1 12 . 1 1 54 54 ILE N N 54 119.148 119.148 120.551 -1.403 25446
4590 1 12 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.067 -0.124 25446
4591 1 12 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.528 0.072 25446
4592 1 12 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.084 0.425 25446
4593 1 12 . 1 1 54 54 ILE H H 54 6.901 6.901 7.243 -0.342 25446
4594 1 12 . 1 1 55 55 ALA N N 55 129.774 129.774 126.835 2.939 25446
4595 1 12 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.180 0.222 25446
4596 1 12 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.688 -1.040 25446
4597 1 12 . 1 1 55 55 ALA H H 55 8.538 8.538 8.146 0.392 25446
4598 1 12 . 1 1 56 56 ALA N N 56 126.034 126.034 122.393 3.641 25446
4599 1 12 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.187 0.086 25446
4600 1 12 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.439 -0.827 25446
4601 1 12 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.130 -0.008 25446
4602 1 12 . 1 1 56 56 ALA H H 56 8.620 8.620 8.531 0.089 25446
4603 1 12 . 1 1 57 57 ASP N N 57 115.649 115.649 116.705 -1.056 25446
4604 1 12 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.710 -0.234 25446
4605 1 12 . 1 1 57 57 ASP CA C 57 55.170 55.170 53.323 1.847 25446
4606 1 12 . 1 1 57 57 ASP H H 57 8.321 8.321 7.918 0.403 25446
4607 1 12 . 1 1 58 58 ASP N N 58 118.298 118.298 121.648 -3.350 25446
4608 1 12 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.478 0.190 25446
4609 1 12 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.937 -1.135 25446
4610 1 12 . 1 1 58 58 ASP H H 58 7.971 7.971 8.522 -0.551 25446
4611 1 12 . 1 1 59 59 VAL N N 59 118.443 118.443 111.997 6.446 25446
4612 1 12 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.411 -0.202 25446
4613 1 12 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.077 1.993 25446
4614 1 12 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.283 -1.954 25446
4615 1 12 . 1 1 59 59 VAL H H 59 7.700 7.700 7.354 0.346 25446
4616 1 12 . 1 1 60 60 GLU N N 60 122.777 122.777 121.583 1.194 25446
4617 1 12 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.418 -0.135 25446
4618 1 12 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.008 0.310 25446
4619 1 12 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.451 -0.574 25446
4620 1 12 . 1 1 60 60 GLU H H 60 8.416 8.416 8.355 0.061 25446
4621 1 12 . 1 1 61 61 LEU N N 61 124.910 124.910 124.596 0.314 25446
4622 1 12 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.562 -0.205 25446
4623 1 12 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.321 0.841 25446
4624 1 12 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.976 -1.131 25446
4625 1 12 . 1 1 61 61 LEU H H 61 8.249 8.249 8.446 -0.197 25446
4626 1 12 . 1 1 62 62 SER N N 62 118.228 118.228 117.179 1.049 25446
4627 1 12 . 1 1 62 62 SER HA H 62 4.816 4.816 4.941 -0.125 25446
4628 1 12 . 1 1 62 62 SER CB C 62 63.963 63.963 65.151 -1.188 25446
4629 1 12 . 1 1 62 62 SER H H 62 8.025 8.025 8.268 -0.243 25446
4630 1 12 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.510 -0.256 25446
4631 1 12 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.203 -0.309 25446
4632 1 12 . 1 1 64 64 GLU N N 64 116.457 116.457 118.050 -1.593 25446
4633 1 12 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.136 -0.269 25446
4634 1 12 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.294 -0.548 25446
4635 1 12 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.047 -0.340 25446
4636 1 12 . 1 1 64 64 GLU H H 64 8.310 8.310 9.009 -0.699 25446
4637 1 12 . 1 1 65 65 HIS N N 65 114.998 114.998 119.168 -4.170 25446
4638 1 12 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.205 0.092 25446
4639 1 12 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.369 -1.004 25446
4640 1 12 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.563 0.044 25446
4641 1 12 . 1 1 65 65 HIS H H 65 7.324 7.324 7.968 -0.644 25446
4642 1 12 . 1 1 66 66 PHE N N 66 115.965 115.965 113.351 2.614 25446
4643 1 12 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.719 0.063 25446
4644 1 12 . 1 1 66 66 PHE CA C 66 55.666 55.666 57.947 -2.281 25446
4645 1 12 . 1 1 66 66 PHE CB C 66 38.984 38.984 39.204 -0.220 25446
4646 1 12 . 1 1 66 66 PHE H H 66 7.245 7.245 7.601 -0.356 25446
4647 1 12 . 1 1 67 67 ARG N N 67 112.179 112.179 120.113 -7.934 25446
4648 1 12 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.045 0.039 25446
4649 1 12 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.191 0.101 25446
4650 1 12 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.971 0.665 25446
4651 1 12 . 1 1 67 67 ARG H H 67 6.632 6.632 7.583 -0.951 25446
4652 1 12 . 1 1 68 68 SER N N 68 109.181 109.181 108.389 0.792 25446
4653 1 12 . 1 1 68 68 SER HA H 68 4.985 4.985 4.766 0.219 25446
4654 1 12 . 1 1 68 68 SER CA C 68 55.664 55.664 56.526 -0.862 25446
4655 1 12 . 1 1 68 68 SER CB C 68 67.608 67.608 65.540 2.068 25446
4656 1 12 . 1 1 68 68 SER H H 68 8.139 8.139 7.430 0.709 25446
4657 1 12 . 1 1 69 69 ILE N N 69 122.526 122.526 122.550 -0.024 25446
4658 1 12 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.758 -0.076 25446
4659 1 12 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.257 1.481 25446
4660 1 12 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.841 -0.853 25446
4661 1 12 . 1 1 69 69 ILE H H 69 9.770 9.770 8.947 0.823 25446
4662 1 12 . 1 1 70 70 ARG N N 70 118.671 118.671 118.660 0.011 25446
4663 1 12 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.148 -0.180 25446
4664 1 12 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.419 0.910 25446
4665 1 12 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.746 0.554 25446
4666 1 12 . 1 1 70 70 ARG H H 70 8.860 8.860 8.418 0.442 25446
4667 1 12 . 1 1 71 71 SER N N 71 117.722 117.722 115.436 2.286 25446
4668 1 12 . 1 1 71 71 SER HA H 71 4.346 4.346 4.105 0.241 25446
4669 1 12 . 1 1 71 71 SER CB C 71 62.962 62.962 62.844 0.118 25446
4670 1 12 . 1 1 71 71 SER H H 71 8.534 8.534 7.671 0.863 25446
4671 1 12 . 1 1 72 72 ILE N N 72 127.380 127.380 123.079 4.301 25446
4672 1 12 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.296 0.629 25446
4673 1 12 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.934 1.811 25446
4674 1 12 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.672 -0.311 25446
4675 1 12 . 1 1 72 72 ILE H H 72 8.789 8.789 7.121 1.668 25446
4676 1 12 . 1 1 73 73 ASP N N 73 121.443 121.443 120.714 0.729 25446
4677 1 12 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.324 -0.312 25446
4678 1 12 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.627 1.473 25446
4679 1 12 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.875 3.805 25446
4680 1 12 . 1 1 73 73 ASP H H 73 8.699 8.699 8.047 0.652 25446
4681 1 12 . 1 1 74 74 ALA N N 74 118.799 118.799 122.284 -3.485 25446
4682 1 12 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.068 -0.029 25446
4683 1 12 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.033 0.202 25446
4684 1 12 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.258 -0.309 25446
4685 1 12 . 1 1 74 74 ALA H H 74 8.042 8.042 7.627 0.415 25446
4686 1 12 . 1 1 75 75 PHE N N 75 121.125 121.125 119.481 1.644 25446
4687 1 12 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.151 -0.106 25446
4688 1 12 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.720 -0.769 25446
4689 1 12 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.581 -0.710 25446
4690 1 12 . 1 1 75 75 PHE H H 75 8.369 8.369 7.471 0.898 25446
4691 1 12 . 1 1 76 76 VAL N N 76 120.715 120.715 119.347 1.368 25446
4692 1 12 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.622 -0.672 25446
4693 1 12 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.055 -0.226 25446
4694 1 12 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.403 -0.176 25446
4695 1 12 . 1 1 76 76 VAL H H 76 8.555 8.555 8.452 0.103 25446
4696 1 12 . 1 1 77 77 VAL N N 77 121.286 121.286 120.697 0.589 25446
4697 1 12 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.935 -0.442 25446
4698 1 12 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.120 0.658 25446
4699 1 12 . 1 1 77 77 VAL CB C 77 31.866 31.866 30.938 0.928 25446
4700 1 12 . 1 1 77 77 VAL H H 77 8.770 8.770 8.551 0.219 25446
4701 1 12 . 1 1 78 78 GLY N N 78 106.349 106.349 108.010 -1.661 25446
4702 1 12 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.102 0.530 25446
4703 1 12 . 1 1 78 78 GLY H H 78 7.976 7.976 8.034 -0.058 25446
4704 1 12 . 1 1 79 79 ALA N N 79 120.998 120.998 123.601 -2.603 25446
4705 1 12 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.209 -0.002 25446
4706 1 12 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.892 -0.096 25446
4707 1 12 . 1 1 79 79 ALA CB C 79 19.266 19.266 19.631 -0.365 25446
4708 1 12 . 1 1 79 79 ALA H H 79 7.647 7.647 7.384 0.263 25446
4709 1 12 . 1 1 80 80 THR N N 80 107.402 107.402 109.748 -2.346 25446
4710 1 12 . 1 1 80 80 THR HA H 80 4.454 4.454 4.446 0.008 25446
4711 1 12 . 1 1 80 80 THR CA C 80 61.337 61.337 60.928 0.409 25446
4712 1 12 . 1 1 80 80 THR CB C 80 70.703 70.703 71.504 -0.801 25446
4713 1 12 . 1 1 80 80 THR H H 80 7.469 7.469 7.969 -0.500 25446
4714 1 12 . 1 1 81 81 THR N N 81 119.746 119.746 118.674 1.072 25446
4715 1 12 . 1 1 81 81 THR HA H 81 4.668 4.668 4.909 -0.241 25446
4716 1 12 . 1 1 81 81 THR CA C 81 60.448 60.448 58.550 1.898 25446
4717 1 12 . 1 1 81 81 THR CB C 81 70.062 70.062 69.102 0.960 25446
4718 1 12 . 1 1 81 81 THR H H 81 7.684 7.684 8.325 -0.641 25446
4719 1 12 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.940 -0.241 25446
4720 1 12 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.773 0.837 25446
4721 1 12 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.198 -0.194 25446
4722 1 12 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.447 0.026 25446
4723 1 12 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.958 -0.147 25446
4724 1 12 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.806 -0.724 25446
4725 1 12 . 1 1 84 84 VAL N N 84 120.611 120.611 121.735 -1.124 25446
4726 1 12 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.122 -0.075 25446
4727 1 12 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.080 2.233 25446
4728 1 12 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.913 -2.041 25446
4729 1 12 . 1 1 84 84 VAL H H 84 8.240 8.240 8.006 0.234 25446
4730 1 12 . 1 1 85 85 GLU N N 85 125.076 125.076 125.693 -0.617 25446
4731 1 12 . 1 1 85 85 GLU H H 85 8.434 8.434 8.569 -0.135 25446
4732 1 12 . 1 1 86 86 ALA N N 86 126.280 126.280 119.624 6.656 25446
4733 1 12 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.664 0.624 25446
4734 1 12 . 1 1 86 86 ALA H H 86 8.340 8.340 7.415 0.925 25446
4735 1 12 . 1 1 87 87 LYS N N 87 121.709 121.709 121.558 0.151 25446
4736 1 12 . 1 1 87 87 LYS CB C 87 33.204 33.204 33.162 0.042 25446
4737 1 12 . 1 1 87 87 LYS H H 87 8.334 8.334 8.313 0.021 25446
4738 1 12 . 1 1 88 88 LEU N N 88 125.379 125.379 126.723 -1.344 25446
4739 1 12 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.511 -4.511 25446
4740 1 12 . 1 1 88 88 LEU H H 88 8.435 8.435 8.920 -0.485 25446
4741 1 13 . 1 1 2 2 GLN N N 2 123.771 123.771 123.600 0.171 25446
4742 1 13 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.255 -0.125 25446
4743 1 13 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.212 2.337 25446
4744 1 13 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.327 0.835 25446
4745 1 13 . 1 1 2 2 GLN H H 2 9.634 9.634 8.556 1.078 25446
4746 1 13 . 1 1 3 3 HIS N N 3 119.013 119.013 121.090 -2.077 25446
4747 1 13 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.154 1.030 25446
4748 1 13 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.804 -1.801 25446
4749 1 13 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.163 3.925 25446
4750 1 13 . 1 1 3 3 HIS H H 3 9.946 9.946 8.673 1.273 25446
4751 1 13 . 1 1 4 4 ALA N N 4 122.550 122.550 120.537 2.013 25446
4752 1 13 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.020 -0.129 25446
4753 1 13 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.810 1.750 25446
4754 1 13 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.100 -0.308 25446
4755 1 13 . 1 1 4 4 ALA H H 4 7.524 7.524 8.135 -0.611 25446
4756 1 13 . 1 1 5 5 SER N N 5 112.310 112.310 112.500 -0.190 25446
4757 1 13 . 1 1 5 5 SER HA H 5 4.295 4.295 4.111 0.184 25446
4758 1 13 . 1 1 5 5 SER CA C 5 62.089 62.089 61.209 0.880 25446
4759 1 13 . 1 1 5 5 SER CB C 5 62.421 62.421 62.708 -0.287 25446
4760 1 13 . 1 1 5 5 SER H H 5 8.772 8.772 8.229 0.543 25446
4761 1 13 . 1 1 6 6 VAL N N 6 122.625 122.625 122.799 -0.174 25446
4762 1 13 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.850 0.261 25446
4763 1 13 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.650 0.058 25446
4764 1 13 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.574 1.166 25446
4765 1 13 . 1 1 6 6 VAL H H 6 7.657 7.657 7.508 0.149 25446
4766 1 13 . 1 1 7 7 ILE N N 7 121.536 121.536 120.032 1.504 25446
4767 1 13 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.712 0.514 25446
4768 1 13 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.411 -0.118 25446
4769 1 13 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.402 1.229 25446
4770 1 13 . 1 1 7 7 ILE H H 7 8.526 8.526 7.377 1.149 25446
4771 1 13 . 1 1 8 8 ALA N N 8 121.229 121.229 121.973 -0.744 25446
4772 1 13 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.978 -0.082 25446
4773 1 13 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.478 0.764 25446
4774 1 13 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.453 0.278 25446
4775 1 13 . 1 1 8 8 ALA H H 8 8.946 8.946 7.804 1.142 25446
4776 1 13 . 1 1 9 9 GLN N N 9 114.998 114.998 119.171 -4.173 25446
4777 1 13 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.130 -0.257 25446
4778 1 13 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.388 0.571 25446
4779 1 13 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.278 -0.465 25446
4780 1 13 . 1 1 9 9 GLN H H 9 7.731 7.731 8.362 -0.631 25446
4781 1 13 . 1 1 10 10 PHE N N 10 120.075 120.075 121.963 -1.888 25446
4782 1 13 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.165 -0.087 25446
4783 1 13 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.744 -0.891 25446
4784 1 13 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.489 -0.665 25446
4785 1 13 . 1 1 10 10 PHE H H 10 7.299 7.299 8.612 -1.313 25446
4786 1 13 . 1 1 11 11 VAL N N 11 117.458 117.458 116.629 0.829 25446
4787 1 13 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.869 -0.562 25446
4788 1 13 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.971 0.473 25446
4789 1 13 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.992 -0.304 25446
4790 1 13 . 1 1 11 11 VAL H H 11 8.363 8.363 7.982 0.381 25446
4791 1 13 . 1 1 12 12 VAL N N 12 117.722 117.722 120.673 -2.951 25446
4792 1 13 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.848 -0.101 25446
4793 1 13 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.892 -0.973 25446
4794 1 13 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.338 -0.071 25446
4795 1 13 . 1 1 12 12 VAL H H 12 8.289 8.289 8.467 -0.178 25446
4796 1 13 . 1 1 13 13 GLU N N 13 117.827 117.827 118.818 -0.991 25446
4797 1 13 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.923 -0.181 25446
4798 1 13 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.081 0.112 25446
4799 1 13 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.556 -0.062 25446
4800 1 13 . 1 1 13 13 GLU H H 13 7.758 7.758 8.042 -0.284 25446
4801 1 13 . 1 1 14 14 GLU N N 14 113.425 113.425 117.256 -3.831 25446
4802 1 13 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.816 -0.044 25446
4803 1 13 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.243 -1.636 25446
4804 1 13 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.043 0.456 25446
4805 1 13 . 1 1 14 14 GLU H H 14 7.604 7.604 7.509 0.095 25446
4806 1 13 . 1 1 15 15 PHE N N 15 114.097 114.097 115.238 -1.141 25446
4807 1 13 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.515 0.426 25446
4808 1 13 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.638 -1.645 25446
4809 1 13 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.058 1.934 25446
4810 1 13 . 1 1 15 15 PHE H H 15 7.916 7.916 7.022 0.894 25446
4811 1 13 . 1 1 16 16 LEU N N 16 121.405 121.405 119.964 1.441 25446
4812 1 13 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.816 0.151 25446
4813 1 13 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.279 0.038 25446
4814 1 13 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.600 1.135 25446
4815 1 13 . 1 1 16 16 LEU H H 16 8.046 8.046 8.248 -0.202 25446
4816 1 13 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.542 -0.168 25446
4817 1 13 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.538 1.127 25446
4818 1 13 . 1 1 18 18 ASP N N 18 116.413 116.413 117.815 -1.402 25446
4819 1 13 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.491 0.093 25446
4820 1 13 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.017 0.573 25446
4821 1 13 . 1 1 18 18 ASP H H 18 8.415 8.415 8.705 -0.290 25446
4822 1 13 . 1 1 19 19 VAL N N 19 122.077 122.077 120.451 1.626 25446
4823 1 13 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.155 -0.042 25446
4824 1 13 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.026 0.321 25446
4825 1 13 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.499 -1.113 25446
4826 1 13 . 1 1 19 19 VAL H H 19 7.771 7.771 7.119 0.652 25446
4827 1 13 . 1 1 20 20 ALA N N 20 129.197 129.197 128.669 0.528 25446
4828 1 13 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.370 0.218 25446
4829 1 13 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.950 -0.722 25446
4830 1 13 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.116 -0.693 25446
4831 1 13 . 1 1 20 20 ALA H H 20 8.765 8.765 8.438 0.327 25446
4832 1 13 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.237 -0.163 25446
4833 1 13 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.217 0.924 25446
4834 1 13 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.957 -0.619 25446
4835 1 13 . 1 1 22 22 ALA N N 22 115.949 115.949 118.110 -2.161 25446
4836 1 13 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.213 -0.096 25446
4837 1 13 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.874 -0.091 25446
4838 1 13 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.357 0.395 25446
4839 1 13 . 1 1 22 22 ALA H H 22 8.074 8.074 8.031 0.043 25446
4840 1 13 . 1 1 23 23 ASP N N 23 115.451 115.451 117.432 -1.981 25446
4841 1 13 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.744 -0.092 25446
4842 1 13 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.319 0.125 25446
4843 1 13 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.344 -0.204 25446
4844 1 13 . 1 1 23 23 ASP H H 23 8.023 8.023 7.780 0.243 25446
4845 1 13 . 1 1 24 24 VAL N N 24 121.382 121.382 120.924 0.458 25446
4846 1 13 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.116 -0.288 25446
4847 1 13 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.326 0.985 25446
4848 1 13 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.362 -1.498 25446
4849 1 13 . 1 1 24 24 VAL H H 24 7.072 7.072 7.351 -0.279 25446
4850 1 13 . 1 1 25 25 ASP N N 25 129.258 129.258 127.690 1.568 25446
4851 1 13 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.580 -0.008 25446
4852 1 13 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.550 -0.080 25446
4853 1 13 . 1 1 25 25 ASP H H 25 8.499 8.499 8.799 -0.300 25446
4854 1 13 . 1 1 26 26 VAL N N 26 121.736 121.736 119.731 2.005 25446
4855 1 13 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.850 0.258 25446
4856 1 13 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.556 0.920 25446
4857 1 13 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.445 -0.228 25446
4858 1 13 . 1 1 26 26 VAL H H 26 8.566 8.566 7.968 0.598 25446
4859 1 13 . 1 1 27 27 ASP N N 27 116.233 116.233 117.913 -1.680 25446
4860 1 13 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.642 0.512 25446
4861 1 13 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.462 -0.339 25446
4862 1 13 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.057 2.535 25446
4863 1 13 . 1 1 27 27 ASP H H 27 8.638 8.638 7.985 0.653 25446
4864 1 13 . 1 1 28 28 LEU N N 28 125.046 125.046 122.730 2.316 25446
4865 1 13 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.402 -0.376 25446
4866 1 13 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.873 0.994 25446
4867 1 13 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.287 0.121 25446
4868 1 13 . 1 1 28 28 LEU H H 28 7.389 7.389 7.416 -0.027 25446
4869 1 13 . 1 1 29 29 ASP N N 29 125.807 125.807 125.830 -0.023 25446
4870 1 13 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.757 0.074 25446
4871 1 13 . 1 1 29 29 ASP H H 29 8.731 8.731 8.600 0.131 25446
4872 1 13 . 1 1 30 30 LEU N N 30 130.007 130.007 125.450 4.557 25446
4873 1 13 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.092 -0.194 25446
4874 1 13 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.581 -0.162 25446
4875 1 13 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.633 0.490 25446
4876 1 13 . 1 1 30 30 LEU H H 30 9.744 9.744 8.825 0.919 25446
4877 1 13 . 1 1 31 31 VAL N N 31 121.093 121.093 121.265 -0.172 25446
4878 1 13 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.563 0.663 25446
4879 1 13 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.452 -2.061 25446
4880 1 13 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.969 1.212 25446
4881 1 13 . 1 1 31 31 VAL H H 31 8.166 8.166 7.807 0.359 25446
4882 1 13 . 1 1 32 32 ASP N N 32 124.657 124.657 119.483 5.174 25446
4883 1 13 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.349 0.015 25446
4884 1 13 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.919 0.200 25446
4885 1 13 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.000 0.760 25446
4886 1 13 . 1 1 32 32 ASP H H 32 9.365 9.365 7.970 1.395 25446
4887 1 13 . 1 1 33 33 ASN N N 33 111.260 111.260 118.226 -6.966 25446
4888 1 13 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.316 0.424 25446
4889 1 13 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.414 1.398 25446
4890 1 13 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.972 1.134 25446
4891 1 13 . 1 1 33 33 ASN H H 33 7.423 7.423 8.042 -0.619 25446
4892 1 13 . 1 1 34 34 GLY N N 34 106.935 106.935 109.230 -2.295 25446
4893 1 13 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.100 -0.476 25446
4894 1 13 . 1 1 34 34 GLY H H 34 7.648 7.648 8.666 -1.018 25446
4895 1 13 . 1 1 35 35 VAL N N 35 120.307 120.307 123.058 -2.751 25446
4896 1 13 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.577 0.203 25446
4897 1 13 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.660 -0.635 25446
4898 1 13 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.877 -0.088 25446
4899 1 13 . 1 1 35 35 VAL H H 35 7.838 7.838 7.402 0.436 25446
4900 1 13 . 1 1 36 36 ILE N N 36 116.154 116.154 118.449 -2.295 25446
4901 1 13 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.860 -0.101 25446
4902 1 13 . 1 1 36 36 ILE CA C 36 60.576 60.576 62.954 -2.378 25446
4903 1 13 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.945 1.280 25446
4904 1 13 . 1 1 36 36 ILE H H 36 7.337 7.337 8.813 -1.476 25446
4905 1 13 . 1 1 37 37 ASP N N 37 126.730 126.730 121.462 5.268 25446
4906 1 13 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.973 0.756 25446
4907 1 13 . 1 1 37 37 ASP CA C 37 51.637 51.637 57.238 -5.601 25446
4908 1 13 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.468 0.783 25446
4909 1 13 . 1 1 37 37 ASP H H 37 7.921 7.921 8.345 -0.424 25446
4910 1 13 . 1 1 38 38 SER N N 38 113.176 113.176 113.077 0.099 25446
4911 1 13 . 1 1 38 38 SER HA H 38 4.122 4.122 4.481 -0.359 25446
4912 1 13 . 1 1 38 38 SER CA C 38 61.062 61.062 60.250 0.812 25446
4913 1 13 . 1 1 39 39 LEU N N 39 122.521 122.521 123.462 -0.941 25446
4914 1 13 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.107 0.166 25446
4915 1 13 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.418 -1.048 25446
4916 1 13 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.821 -0.562 25446
4917 1 13 . 1 1 39 39 LEU H H 39 7.675 7.675 7.992 -0.317 25446
4918 1 13 . 1 1 40 40 GLY N N 40 111.971 111.971 106.347 5.624 25446
4919 1 13 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.861 1.258 25446
4920 1 13 . 1 1 40 40 GLY H H 40 8.776 8.776 7.622 1.154 25446
4921 1 13 . 1 1 41 41 LEU N N 41 122.579 122.579 123.491 -0.912 25446
4922 1 13 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.152 -0.306 25446
4923 1 13 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.928 0.337 25446
4924 1 13 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.059 -0.480 25446
4925 1 13 . 1 1 41 41 LEU H H 41 8.551 8.551 8.422 0.129 25446
4926 1 13 . 1 1 42 42 LEU N N 42 116.126 116.126 118.825 -2.699 25446
4927 1 13 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.975 0.034 25446
4928 1 13 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.340 -0.239 25446
4929 1 13 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.642 -0.695 25446
4930 1 13 . 1 1 42 42 LEU H H 42 7.213 7.213 7.806 -0.593 25446
4931 1 13 . 1 1 43 43 LYS N N 43 119.793 119.793 119.965 -0.172 25446
4932 1 13 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.060 0.222 25446
4933 1 13 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.729 -0.159 25446
4934 1 13 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.335 0.202 25446
4935 1 13 . 1 1 43 43 LYS H H 43 7.664 7.664 7.538 0.126 25446
4936 1 13 . 1 1 44 44 VAL N N 44 121.147 121.147 120.660 0.487 25446
4937 1 13 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.036 -0.099 25446
4938 1 13 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.367 -0.549 25446
4939 1 13 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.641 -0.082 25446
4940 1 13 . 1 1 44 44 VAL H H 44 8.278 8.278 8.565 -0.287 25446
4941 1 13 . 1 1 45 45 ILE N N 45 119.222 119.222 120.225 -1.003 25446
4942 1 13 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.818 -0.413 25446
4943 1 13 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.467 2.594 25446
4944 1 13 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.752 2.487 25446
4945 1 13 . 1 1 45 45 ILE H H 45 8.127 8.127 7.869 0.258 25446
4946 1 13 . 1 1 46 46 ALA N N 46 121.011 121.011 123.321 -2.310 25446
4947 1 13 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.185 0.047 25446
4948 1 13 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.936 0.024 25446
4949 1 13 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.735 -0.396 25446
4950 1 13 . 1 1 46 46 ALA H H 46 7.811 7.811 7.837 -0.026 25446
4951 1 13 . 1 1 47 47 TRP N N 47 121.158 121.158 121.075 0.083 25446
4952 1 13 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.400 -0.165 25446
4953 1 13 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.584 1.250 25446
4954 1 13 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.796 -1.575 25446
4955 1 13 . 1 1 47 47 TRP H H 47 8.094 8.094 8.549 -0.455 25446
4956 1 13 . 1 1 48 48 LEU N N 48 118.890 118.890 121.579 -2.689 25446
4957 1 13 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.048 0.525 25446
4958 1 13 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.691 -0.499 25446
4959 1 13 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.722 0.532 25446
4960 1 13 . 1 1 48 48 LEU H H 48 8.704 8.704 9.129 -0.425 25446
4961 1 13 . 1 1 49 49 GLU N N 49 118.917 118.917 119.411 -0.494 25446
4962 1 13 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.109 -0.063 25446
4963 1 13 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.524 0.184 25446
4964 1 13 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.401 0.215 25446
4965 1 13 . 1 1 49 49 GLU H H 49 7.808 7.808 8.174 -0.366 25446
4966 1 13 . 1 1 50 50 ASP N N 50 119.614 119.614 119.175 0.439 25446
4967 1 13 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.378 -0.138 25446
4968 1 13 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.580 0.429 25446
4969 1 13 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.011 1.366 25446
4970 1 13 . 1 1 50 50 ASP H H 50 7.677 7.677 7.616 0.061 25446
4971 1 13 . 1 1 51 51 ARG N N 51 116.918 116.918 117.580 -0.662 25446
4972 1 13 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.001 -0.276 25446
4973 1 13 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.044 -1.756 25446
4974 1 13 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.612 -1.328 25446
4975 1 13 . 1 1 51 51 ARG H H 51 8.876 8.876 7.587 1.289 25446
4976 1 13 . 1 1 52 52 PHE N N 52 112.278 112.278 114.572 -2.294 25446
4977 1 13 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.567 0.090 25446
4978 1 13 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.398 -1.348 25446
4979 1 13 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.554 1.198 25446
4980 1 13 . 1 1 52 52 PHE H H 52 7.330 7.330 8.039 -0.709 25446
4981 1 13 . 1 1 53 53 GLY N N 53 109.717 109.717 108.665 1.052 25446
4982 1 13 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.554 1.092 25446
4983 1 13 . 1 1 53 53 GLY H H 53 7.411 7.411 7.967 -0.556 25446
4984 1 13 . 1 1 54 54 ILE N N 54 119.148 119.148 121.008 -1.860 25446
4985 1 13 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.109 -0.166 25446
4986 1 13 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.597 0.003 25446
4987 1 13 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.964 0.545 25446
4988 1 13 . 1 1 54 54 ILE H H 54 6.901 6.901 7.223 -0.322 25446
4989 1 13 . 1 1 55 55 ALA N N 55 129.774 129.774 129.259 0.515 25446
4990 1 13 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.236 0.166 25446
4991 1 13 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.657 -1.009 25446
4992 1 13 . 1 1 55 55 ALA H H 55 8.538 8.538 8.451 0.087 25446
4993 1 13 . 1 1 56 56 ALA N N 56 126.034 126.034 123.068 2.966 25446
4994 1 13 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.124 0.149 25446
4995 1 13 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.445 0.167 25446
4996 1 13 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.962 0.160 25446
4997 1 13 . 1 1 56 56 ALA H H 56 8.620 8.620 8.373 0.247 25446
4998 1 13 . 1 1 57 57 ASP N N 57 115.649 115.649 115.963 -0.314 25446
4999 1 13 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.451 0.025 25446
5000 1 13 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.517 0.653 25446
5001 1 13 . 1 1 57 57 ASP H H 57 8.321 8.321 8.323 -0.002 25446
5002 1 13 . 1 1 58 58 ASP N N 58 118.298 118.298 119.440 -1.142 25446
5003 1 13 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.450 0.218 25446
5004 1 13 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.800 0.002 25446
5005 1 13 . 1 1 58 58 ASP H H 58 7.971 7.971 8.298 -0.327 25446
5006 1 13 . 1 1 59 59 VAL N N 59 118.443 118.443 124.060 -5.617 25446
5007 1 13 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.351 -0.142 25446
5008 1 13 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.550 1.520 25446
5009 1 13 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.452 -2.122 25446
5010 1 13 . 1 1 59 59 VAL H H 59 7.700 7.700 8.088 -0.388 25446
5011 1 13 . 1 1 60 60 GLU N N 60 122.777 122.777 126.347 -3.570 25446
5012 1 13 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.407 -0.124 25446
5013 1 13 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.309 0.008 25446
5014 1 13 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.224 -0.347 25446
5015 1 13 . 1 1 60 60 GLU H H 60 8.416 8.416 8.411 0.005 25446
5016 1 13 . 1 1 61 61 LEU N N 61 124.910 124.910 125.381 -0.471 25446
5017 1 13 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.574 -0.217 25446
5018 1 13 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.959 1.203 25446
5019 1 13 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.531 -1.686 25446
5020 1 13 . 1 1 61 61 LEU H H 61 8.249 8.249 8.390 -0.141 25446
5021 1 13 . 1 1 62 62 SER N N 62 118.228 118.228 117.776 0.452 25446
5022 1 13 . 1 1 62 62 SER HA H 62 4.816 4.816 4.799 0.017 25446
5023 1 13 . 1 1 62 62 SER CB C 62 63.963 63.963 64.298 -0.335 25446
5024 1 13 . 1 1 62 62 SER H H 62 8.025 8.025 8.405 -0.380 25446
5025 1 13 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.535 -0.281 25446
5026 1 13 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.986 -0.092 25446
5027 1 13 . 1 1 64 64 GLU N N 64 116.457 116.457 118.445 -1.988 25446
5028 1 13 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.132 -0.265 25446
5029 1 13 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.394 -0.648 25446
5030 1 13 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.992 -0.285 25446
5031 1 13 . 1 1 64 64 GLU H H 64 8.310 8.310 9.006 -0.696 25446
5032 1 13 . 1 1 65 65 HIS N N 65 114.998 114.998 119.450 -4.452 25446
5033 1 13 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.225 0.072 25446
5034 1 13 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.370 -1.005 25446
5035 1 13 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.660 -0.053 25446
5036 1 13 . 1 1 65 65 HIS H H 65 7.324 7.324 7.858 -0.534 25446
5037 1 13 . 1 1 66 66 PHE N N 66 115.965 115.965 115.127 0.838 25446
5038 1 13 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.603 0.179 25446
5039 1 13 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.188 -2.522 25446
5040 1 13 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.524 0.460 25446
5041 1 13 . 1 1 66 66 PHE H H 66 7.245 7.245 7.624 -0.379 25446
5042 1 13 . 1 1 67 67 ARG N N 67 112.179 112.179 118.167 -5.988 25446
5043 1 13 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.097 -0.013 25446
5044 1 13 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.836 0.455 25446
5045 1 13 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.500 1.137 25446
5046 1 13 . 1 1 67 67 ARG H H 67 6.632 6.632 7.476 -0.844 25446
5047 1 13 . 1 1 68 68 SER N N 68 109.181 109.181 109.429 -0.248 25446
5048 1 13 . 1 1 68 68 SER HA H 68 4.985 4.985 4.785 0.200 25446
5049 1 13 . 1 1 68 68 SER CA C 68 55.664 55.664 56.370 -0.706 25446
5050 1 13 . 1 1 68 68 SER CB C 68 67.608 67.608 66.664 0.944 25446
5051 1 13 . 1 1 68 68 SER H H 68 8.139 8.139 7.243 0.896 25446
5052 1 13 . 1 1 69 69 ILE N N 69 122.526 122.526 123.179 -0.653 25446
5053 1 13 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.743 -0.061 25446
5054 1 13 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.181 1.557 25446
5055 1 13 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.709 -0.721 25446
5056 1 13 . 1 1 69 69 ILE H H 69 9.770 9.770 8.976 0.794 25446
5057 1 13 . 1 1 70 70 ARG N N 70 118.671 118.671 120.363 -1.692 25446
5058 1 13 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.913 0.055 25446
5059 1 13 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.872 0.457 25446
5060 1 13 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.784 0.516 25446
5061 1 13 . 1 1 70 70 ARG H H 70 8.860 8.860 8.448 0.412 25446
5062 1 13 . 1 1 71 71 SER N N 71 117.722 117.722 115.392 2.330 25446
5063 1 13 . 1 1 71 71 SER HA H 71 4.346 4.346 4.099 0.247 25446
5064 1 13 . 1 1 71 71 SER CB C 71 62.962 62.962 62.188 0.774 25446
5065 1 13 . 1 1 71 71 SER H H 71 8.534 8.534 7.571 0.963 25446
5066 1 13 . 1 1 72 72 ILE N N 72 127.380 127.380 122.603 4.777 25446
5067 1 13 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.743 0.182 25446
5068 1 13 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.772 1.973 25446
5069 1 13 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.685 -0.324 25446
5070 1 13 . 1 1 72 72 ILE H H 72 8.789 8.789 7.066 1.723 25446
5071 1 13 . 1 1 73 73 ASP N N 73 121.443 121.443 120.612 0.831 25446
5072 1 13 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.275 -0.263 25446
5073 1 13 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.344 1.756 25446
5074 1 13 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.558 3.122 25446
5075 1 13 . 1 1 73 73 ASP H H 73 8.699 8.699 7.877 0.822 25446
5076 1 13 . 1 1 74 74 ALA N N 74 118.799 118.799 121.967 -3.168 25446
5077 1 13 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.092 -0.053 25446
5078 1 13 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.133 0.102 25446
5079 1 13 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.261 -0.312 25446
5080 1 13 . 1 1 74 74 ALA H H 74 8.042 8.042 7.596 0.446 25446
5081 1 13 . 1 1 75 75 PHE N N 75 121.125 121.125 119.689 1.436 25446
5082 1 13 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.114 -0.069 25446
5083 1 13 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.772 -0.821 25446
5084 1 13 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.413 -0.541 25446
5085 1 13 . 1 1 75 75 PHE H H 75 8.369 8.369 7.803 0.566 25446
5086 1 13 . 1 1 76 76 VAL N N 76 120.715 120.715 119.083 1.632 25446
5087 1 13 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.519 -0.569 25446
5088 1 13 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.150 -0.321 25446
5089 1 13 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.868 -0.641 25446
5090 1 13 . 1 1 76 76 VAL H H 76 8.555 8.555 8.273 0.282 25446
5091 1 13 . 1 1 77 77 VAL N N 77 121.286 121.286 119.724 1.562 25446
5092 1 13 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.658 -0.165 25446
5093 1 13 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.429 1.349 25446
5094 1 13 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.096 0.770 25446
5095 1 13 . 1 1 77 77 VAL H H 77 8.770 8.770 8.451 0.319 25446
5096 1 13 . 1 1 78 78 GLY N N 78 106.349 106.349 105.602 0.747 25446
5097 1 13 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.630 0.002 25446
5098 1 13 . 1 1 78 78 GLY H H 78 7.976 7.976 8.150 -0.174 25446
5099 1 13 . 1 1 79 79 ALA N N 79 120.998 120.998 122.353 -1.355 25446
5100 1 13 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.491 -0.284 25446
5101 1 13 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.559 0.238 25446
5102 1 13 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.409 -1.143 25446
5103 1 13 . 1 1 79 79 ALA H H 79 7.647 7.647 7.210 0.437 25446
5104 1 13 . 1 1 80 80 THR N N 80 107.402 107.402 113.503 -6.101 25446
5105 1 13 . 1 1 80 80 THR HA H 80 4.454 4.454 4.480 -0.026 25446
5106 1 13 . 1 1 80 80 THR CA C 80 61.337 61.337 61.753 -0.416 25446
5107 1 13 . 1 1 80 80 THR CB C 80 70.703 70.703 71.010 -0.307 25446
5108 1 13 . 1 1 80 80 THR H H 80 7.469 7.469 8.207 -0.738 25446
5109 1 13 . 1 1 81 81 THR N N 81 119.746 119.746 118.633 1.113 25446
5110 1 13 . 1 1 81 81 THR HA H 81 4.668 4.668 4.661 0.007 25446
5111 1 13 . 1 1 81 81 THR CA C 81 60.448 60.448 57.908 2.539 25446
5112 1 13 . 1 1 81 81 THR CB C 81 70.062 70.062 69.265 0.797 25446
5113 1 13 . 1 1 81 81 THR H H 81 7.684 7.684 8.003 -0.319 25446
5114 1 13 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.729 -0.030 25446
5115 1 13 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.626 0.984 25446
5116 1 13 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.101 -0.097 25446
5117 1 13 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.266 0.207 25446
5118 1 13 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.314 0.497 25446
5119 1 13 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.254 -0.173 25446
5120 1 13 . 1 1 84 84 VAL N N 84 120.611 120.611 122.830 -2.219 25446
5121 1 13 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.306 -0.259 25446
5122 1 13 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.895 1.418 25446
5123 1 13 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.782 -1.909 25446
5124 1 13 . 1 1 84 84 VAL H H 84 8.240 8.240 8.190 0.050 25446
5125 1 13 . 1 1 85 85 GLU N N 85 125.076 125.076 126.253 -1.177 25446
5126 1 13 . 1 1 85 85 GLU H H 85 8.434 8.434 8.818 -0.384 25446
5127 1 13 . 1 1 86 86 ALA N N 86 126.280 126.280 119.072 7.208 25446
5128 1 13 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.093 1.196 25446
5129 1 13 . 1 1 86 86 ALA H H 86 8.340 8.340 7.425 0.915 25446
5130 1 13 . 1 1 87 87 LYS N N 87 121.709 121.709 119.513 2.196 25446
5131 1 13 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.471 0.733 25446
5132 1 13 . 1 1 87 87 LYS H H 87 8.334 8.334 9.119 -0.785 25446
5133 1 13 . 1 1 88 88 LEU N N 88 125.379 125.379 119.359 6.020 25446
5134 1 13 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.414 -4.414 25446
5135 1 13 . 1 1 88 88 LEU H H 88 8.435 8.435 7.610 0.825 25446
5136 1 14 . 1 1 2 2 GLN N N 2 123.771 123.771 120.226 3.545 25446
5137 1 14 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.435 -0.305 25446
5138 1 14 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.587 1.962 25446
5139 1 14 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.913 1.250 25446
5140 1 14 . 1 1 2 2 GLN H H 2 9.634 9.634 8.645 0.989 25446
5141 1 14 . 1 1 3 3 HIS N N 3 119.013 119.013 117.131 1.882 25446
5142 1 14 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.115 1.069 25446
5143 1 14 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.974 -1.971 25446
5144 1 14 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.540 3.548 25446
5145 1 14 . 1 1 3 3 HIS H H 3 9.946 9.946 8.621 1.325 25446
5146 1 14 . 1 1 4 4 ALA N N 4 122.550 122.550 121.153 1.397 25446
5147 1 14 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.006 -0.115 25446
5148 1 14 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.053 1.507 25446
5149 1 14 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.883 -0.091 25446
5150 1 14 . 1 1 4 4 ALA H H 4 7.524 7.524 8.206 -0.682 25446
5151 1 14 . 1 1 5 5 SER N N 5 112.310 112.310 113.520 -1.210 25446
5152 1 14 . 1 1 5 5 SER HA H 5 4.295 4.295 4.228 0.067 25446
5153 1 14 . 1 1 5 5 SER CA C 5 62.089 62.089 61.237 0.852 25446
5154 1 14 . 1 1 5 5 SER CB C 5 62.421 62.421 62.455 -0.034 25446
5155 1 14 . 1 1 5 5 SER H H 5 8.772 8.772 8.203 0.569 25446
5156 1 14 . 1 1 6 6 VAL N N 6 122.625 122.625 122.611 0.014 25446
5157 1 14 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.840 0.271 25446
5158 1 14 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.312 -0.604 25446
5159 1 14 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.607 1.133 25446
5160 1 14 . 1 1 6 6 VAL H H 6 7.657 7.657 7.520 0.137 25446
5161 1 14 . 1 1 7 7 ILE N N 7 121.536 121.536 120.279 1.257 25446
5162 1 14 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.608 0.618 25446
5163 1 14 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.707 -0.414 25446
5164 1 14 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.347 1.284 25446
5165 1 14 . 1 1 7 7 ILE H H 7 8.526 8.526 7.316 1.210 25446
5166 1 14 . 1 1 8 8 ALA N N 8 121.229 121.229 121.164 0.065 25446
5167 1 14 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.014 -0.118 25446
5168 1 14 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.416 0.826 25446
5169 1 14 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.046 0.685 25446
5170 1 14 . 1 1 8 8 ALA H H 8 8.946 8.946 7.728 1.218 25446
5171 1 14 . 1 1 9 9 GLN N N 9 114.998 114.998 119.485 -4.487 25446
5172 1 14 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.089 -0.216 25446
5173 1 14 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.126 -0.167 25446
5174 1 14 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.858 -1.045 25446
5175 1 14 . 1 1 9 9 GLN H H 9 7.731 7.731 8.354 -0.623 25446
5176 1 14 . 1 1 10 10 PHE N N 10 120.075 120.075 121.261 -1.186 25446
5177 1 14 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.248 -0.170 25446
5178 1 14 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.843 -0.990 25446
5179 1 14 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.306 -0.483 25446
5180 1 14 . 1 1 10 10 PHE H H 10 7.299 7.299 8.884 -1.585 25446
5181 1 14 . 1 1 11 11 VAL N N 11 117.458 117.458 118.868 -1.410 25446
5182 1 14 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.827 -0.520 25446
5183 1 14 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.231 0.213 25446
5184 1 14 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.319 -0.631 25446
5185 1 14 . 1 1 11 11 VAL H H 11 8.363 8.363 8.034 0.329 25446
5186 1 14 . 1 1 12 12 VAL N N 12 117.722 117.722 119.473 -1.751 25446
5187 1 14 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.798 -0.051 25446
5188 1 14 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.108 -1.189 25446
5189 1 14 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.455 -0.188 25446
5190 1 14 . 1 1 12 12 VAL H H 12 8.289 8.289 8.434 -0.145 25446
5191 1 14 . 1 1 13 13 GLU N N 13 117.827 117.827 119.746 -1.919 25446
5192 1 14 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.957 -0.215 25446
5193 1 14 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.238 -0.045 25446
5194 1 14 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.315 0.179 25446
5195 1 14 . 1 1 13 13 GLU H H 13 7.758 7.758 8.566 -0.808 25446
5196 1 14 . 1 1 14 14 GLU N N 14 113.425 113.425 117.716 -4.291 25446
5197 1 14 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.780 -0.008 25446
5198 1 14 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.898 -1.291 25446
5199 1 14 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.400 0.099 25446
5200 1 14 . 1 1 14 14 GLU H H 14 7.604 7.604 7.620 -0.016 25446
5201 1 14 . 1 1 15 15 PHE N N 15 114.097 114.097 114.730 -0.633 25446
5202 1 14 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.665 0.276 25446
5203 1 14 . 1 1 15 15 PHE CA C 15 57.993 57.993 58.968 -0.974 25446
5204 1 14 . 1 1 15 15 PHE CB C 15 41.992 41.992 41.039 0.953 25446
5205 1 14 . 1 1 15 15 PHE H H 15 7.916 7.916 7.418 0.498 25446
5206 1 14 . 1 1 16 16 LEU N N 16 121.405 121.405 121.015 0.390 25446
5207 1 14 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.854 0.113 25446
5208 1 14 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.562 -0.245 25446
5209 1 14 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.700 1.035 25446
5210 1 14 . 1 1 16 16 LEU H H 16 8.046 8.046 8.262 -0.216 25446
5211 1 14 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.608 -0.234 25446
5212 1 14 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.199 1.466 25446
5213 1 14 . 1 1 18 18 ASP N N 18 116.413 116.413 118.086 -1.673 25446
5214 1 14 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.594 -0.010 25446
5215 1 14 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.592 -0.002 25446
5216 1 14 . 1 1 18 18 ASP H H 18 8.415 8.415 8.621 -0.206 25446
5217 1 14 . 1 1 19 19 VAL N N 19 122.077 122.077 119.730 2.347 25446
5218 1 14 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.229 -0.116 25446
5219 1 14 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.915 0.432 25446
5220 1 14 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.890 -1.503 25446
5221 1 14 . 1 1 19 19 VAL H H 19 7.771 7.771 7.172 0.599 25446
5222 1 14 . 1 1 20 20 ALA N N 20 129.197 129.197 129.759 -0.562 25446
5223 1 14 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.434 0.154 25446
5224 1 14 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.919 -0.691 25446
5225 1 14 . 1 1 20 20 ALA CB C 20 17.423 17.423 17.913 -0.490 25446
5226 1 14 . 1 1 20 20 ALA H H 20 8.765 8.765 8.473 0.292 25446
5227 1 14 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.242 -0.168 25446
5228 1 14 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.170 0.971 25446
5229 1 14 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.986 -0.648 25446
5230 1 14 . 1 1 22 22 ALA N N 22 115.949 115.949 118.389 -2.440 25446
5231 1 14 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.214 -0.097 25446
5232 1 14 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.888 -0.105 25446
5233 1 14 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.372 0.380 25446
5234 1 14 . 1 1 22 22 ALA H H 22 8.074 8.074 8.030 0.044 25446
5235 1 14 . 1 1 23 23 ASP N N 23 115.451 115.451 117.659 -2.208 25446
5236 1 14 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.746 -0.094 25446
5237 1 14 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.375 0.069 25446
5238 1 14 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.240 -0.100 25446
5239 1 14 . 1 1 23 23 ASP H H 23 8.023 8.023 7.784 0.239 25446
5240 1 14 . 1 1 24 24 VAL N N 24 121.382 121.382 120.391 0.991 25446
5241 1 14 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.099 -0.271 25446
5242 1 14 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.824 0.487 25446
5243 1 14 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.530 -1.666 25446
5244 1 14 . 1 1 24 24 VAL H H 24 7.072 7.072 7.327 -0.255 25446
5245 1 14 . 1 1 25 25 ASP N N 25 129.258 129.258 126.648 2.610 25446
5246 1 14 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.553 0.019 25446
5247 1 14 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.899 0.571 25446
5248 1 14 . 1 1 25 25 ASP H H 25 8.499 8.499 8.731 -0.232 25446
5249 1 14 . 1 1 26 26 VAL N N 26 121.736 121.736 119.566 2.170 25446
5250 1 14 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.860 0.248 25446
5251 1 14 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.480 0.996 25446
5252 1 14 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.376 -0.159 25446
5253 1 14 . 1 1 26 26 VAL H H 26 8.566 8.566 7.938 0.628 25446
5254 1 14 . 1 1 27 27 ASP N N 27 116.233 116.233 119.349 -3.116 25446
5255 1 14 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.652 0.502 25446
5256 1 14 . 1 1 27 27 ASP CA C 27 54.123 54.123 53.674 0.449 25446
5257 1 14 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.575 1.017 25446
5258 1 14 . 1 1 27 27 ASP H H 27 8.638 8.638 7.948 0.690 25446
5259 1 14 . 1 1 28 28 LEU N N 28 125.046 125.046 122.135 2.911 25446
5260 1 14 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.406 -0.380 25446
5261 1 14 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.853 1.014 25446
5262 1 14 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.527 -0.119 25446
5263 1 14 . 1 1 28 28 LEU H H 28 7.389 7.389 7.447 -0.058 25446
5264 1 14 . 1 1 29 29 ASP N N 29 125.807 125.807 126.338 -0.531 25446
5265 1 14 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.756 0.075 25446
5266 1 14 . 1 1 29 29 ASP H H 29 8.731 8.731 8.625 0.106 25446
5267 1 14 . 1 1 30 30 LEU N N 30 130.007 130.007 121.206 8.801 25446
5268 1 14 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.361 -0.463 25446
5269 1 14 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.145 0.274 25446
5270 1 14 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.376 0.747 25446
5271 1 14 . 1 1 30 30 LEU H H 30 9.744 9.744 8.325 1.419 25446
5272 1 14 . 1 1 31 31 VAL N N 31 121.093 121.093 122.383 -1.290 25446
5273 1 14 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.567 0.659 25446
5274 1 14 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.106 -1.715 25446
5275 1 14 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.553 0.628 25446
5276 1 14 . 1 1 31 31 VAL H H 31 8.166 8.166 7.791 0.375 25446
5277 1 14 . 1 1 32 32 ASP N N 32 124.657 124.657 119.784 4.873 25446
5278 1 14 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.364 -0.000 25446
5279 1 14 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.715 0.404 25446
5280 1 14 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.504 0.256 25446
5281 1 14 . 1 1 32 32 ASP H H 32 9.365 9.365 8.024 1.341 25446
5282 1 14 . 1 1 33 33 ASN N N 33 111.260 111.260 117.429 -6.169 25446
5283 1 14 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.600 0.140 25446
5284 1 14 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.534 1.278 25446
5285 1 14 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.962 1.144 25446
5286 1 14 . 1 1 33 33 ASN H H 33 7.423 7.423 7.895 -0.472 25446
5287 1 14 . 1 1 34 34 GLY N N 34 106.935 106.935 109.642 -2.707 25446
5288 1 14 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.914 -0.290 25446
5289 1 14 . 1 1 34 34 GLY H H 34 7.648 7.648 8.535 -0.887 25446
5290 1 14 . 1 1 35 35 VAL N N 35 120.307 120.307 122.566 -2.259 25446
5291 1 14 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.642 0.138 25446
5292 1 14 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.864 0.161 25446
5293 1 14 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.760 0.029 25446
5294 1 14 . 1 1 35 35 VAL H H 35 7.838 7.838 7.454 0.384 25446
5295 1 14 . 1 1 36 36 ILE N N 36 116.154 116.154 119.456 -3.302 25446
5296 1 14 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.921 -0.162 25446
5297 1 14 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.520 -2.943 25446
5298 1 14 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.832 1.393 25446
5299 1 14 . 1 1 36 36 ILE H H 36 7.337 7.337 8.563 -1.226 25446
5300 1 14 . 1 1 37 37 ASP N N 37 126.730 126.730 120.461 6.269 25446
5301 1 14 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.726 1.003 25446
5302 1 14 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.923 -5.286 25446
5303 1 14 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.323 0.928 25446
5304 1 14 . 1 1 37 37 ASP H H 37 7.921 7.921 8.379 -0.458 25446
5305 1 14 . 1 1 38 38 SER N N 38 113.176 113.176 113.972 -0.796 25446
5306 1 14 . 1 1 38 38 SER HA H 38 4.122 4.122 4.536 -0.414 25446
5307 1 14 . 1 1 38 38 SER CA C 38 61.062 61.062 59.642 1.420 25446
5308 1 14 . 1 1 39 39 LEU N N 39 122.521 122.521 123.569 -1.048 25446
5309 1 14 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.090 0.183 25446
5310 1 14 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.510 -1.140 25446
5311 1 14 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.961 -0.702 25446
5312 1 14 . 1 1 39 39 LEU H H 39 7.675 7.675 7.805 -0.130 25446
5313 1 14 . 1 1 40 40 GLY N N 40 111.971 111.971 106.283 5.688 25446
5314 1 14 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.044 1.076 25446
5315 1 14 . 1 1 40 40 GLY H H 40 8.776 8.776 7.641 1.135 25446
5316 1 14 . 1 1 41 41 LEU N N 41 122.579 122.579 123.532 -0.953 25446
5317 1 14 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.170 -0.325 25446
5318 1 14 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.850 0.415 25446
5319 1 14 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.960 -0.381 25446
5320 1 14 . 1 1 41 41 LEU H H 41 8.551 8.551 8.450 0.101 25446
5321 1 14 . 1 1 42 42 LEU N N 42 116.126 116.126 119.160 -3.034 25446
5322 1 14 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.946 0.063 25446
5323 1 14 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.461 -0.360 25446
5324 1 14 . 1 1 42 42 LEU CB C 42 40.947 40.947 40.863 0.084 25446
5325 1 14 . 1 1 42 42 LEU H H 42 7.213 7.213 8.390 -1.177 25446
5326 1 14 . 1 1 43 43 LYS N N 43 119.793 119.793 119.646 0.147 25446
5327 1 14 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.110 0.172 25446
5328 1 14 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.066 -0.495 25446
5329 1 14 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.529 0.008 25446
5330 1 14 . 1 1 43 43 LYS H H 43 7.664 7.664 7.553 0.111 25446
5331 1 14 . 1 1 44 44 VAL N N 44 121.147 121.147 120.857 0.290 25446
5332 1 14 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.002 -0.065 25446
5333 1 14 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.649 0.169 25446
5334 1 14 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.954 -0.395 25446
5335 1 14 . 1 1 44 44 VAL H H 44 8.278 8.278 8.464 -0.186 25446
5336 1 14 . 1 1 45 45 ILE N N 45 119.222 119.222 120.814 -1.592 25446
5337 1 14 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.703 -0.298 25446
5338 1 14 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.218 1.843 25446
5339 1 14 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.200 1.039 25446
5340 1 14 . 1 1 45 45 ILE H H 45 8.127 8.127 8.658 -0.531 25446
5341 1 14 . 1 1 46 46 ALA N N 46 121.011 121.011 122.245 -1.234 25446
5342 1 14 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.145 0.087 25446
5343 1 14 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.182 -0.222 25446
5344 1 14 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.480 -0.140 25446
5345 1 14 . 1 1 46 46 ALA H H 46 7.811 7.811 7.995 -0.184 25446
5346 1 14 . 1 1 47 47 TRP N N 47 121.158 121.158 120.831 0.327 25446
5347 1 14 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.493 -0.258 25446
5348 1 14 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.643 2.191 25446
5349 1 14 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.630 -1.410 25446
5350 1 14 . 1 1 47 47 TRP H H 47 8.094 8.094 8.166 -0.072 25446
5351 1 14 . 1 1 48 48 LEU N N 48 118.890 118.890 120.626 -1.736 25446
5352 1 14 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.292 0.281 25446
5353 1 14 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.367 -0.175 25446
5354 1 14 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.728 0.526 25446
5355 1 14 . 1 1 48 48 LEU H H 48 8.704 8.704 8.666 0.038 25446
5356 1 14 . 1 1 49 49 GLU N N 49 118.917 118.917 117.835 1.082 25446
5357 1 14 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.982 0.064 25446
5358 1 14 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.419 0.289 25446
5359 1 14 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.300 0.316 25446
5360 1 14 . 1 1 49 49 GLU H H 49 7.808 7.808 8.068 -0.260 25446
5361 1 14 . 1 1 50 50 ASP N N 50 119.614 119.614 119.573 0.041 25446
5362 1 14 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.412 -0.172 25446
5363 1 14 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.574 0.435 25446
5364 1 14 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.950 1.427 25446
5365 1 14 . 1 1 50 50 ASP H H 50 7.677 7.677 7.798 -0.121 25446
5366 1 14 . 1 1 51 51 ARG N N 51 116.918 116.918 116.991 -0.073 25446
5367 1 14 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.969 -0.244 25446
5368 1 14 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.170 -1.882 25446
5369 1 14 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.278 -0.994 25446
5370 1 14 . 1 1 51 51 ARG H H 51 8.876 8.876 7.489 1.387 25446
5371 1 14 . 1 1 52 52 PHE N N 52 112.278 112.278 115.287 -3.009 25446
5372 1 14 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.596 0.061 25446
5373 1 14 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.291 -1.241 25446
5374 1 14 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.352 1.400 25446
5375 1 14 . 1 1 52 52 PHE H H 52 7.330 7.330 7.472 -0.142 25446
5376 1 14 . 1 1 53 53 GLY N N 53 109.717 109.717 109.129 0.588 25446
5377 1 14 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.687 0.959 25446
5378 1 14 . 1 1 53 53 GLY H H 53 7.411 7.411 8.211 -0.800 25446
5379 1 14 . 1 1 54 54 ILE N N 54 119.148 119.148 120.496 -1.348 25446
5380 1 14 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.084 -0.141 25446
5381 1 14 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.804 -0.204 25446
5382 1 14 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.923 0.586 25446
5383 1 14 . 1 1 54 54 ILE H H 54 6.901 6.901 7.625 -0.724 25446
5384 1 14 . 1 1 55 55 ALA N N 55 129.774 129.774 128.696 1.078 25446
5385 1 14 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.314 0.088 25446
5386 1 14 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.256 -0.608 25446
5387 1 14 . 1 1 55 55 ALA H H 55 8.538 8.538 8.421 0.117 25446
5388 1 14 . 1 1 56 56 ALA N N 56 126.034 126.034 125.797 0.237 25446
5389 1 14 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.462 -0.189 25446
5390 1 14 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.372 -0.760 25446
5391 1 14 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.960 0.162 25446
5392 1 14 . 1 1 56 56 ALA H H 56 8.620 8.620 8.730 -0.110 25446
5393 1 14 . 1 1 57 57 ASP N N 57 115.649 115.649 115.545 0.104 25446
5394 1 14 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.515 -0.039 25446
5395 1 14 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.475 0.695 25446
5396 1 14 . 1 1 57 57 ASP H H 57 8.321 8.321 8.177 0.144 25446
5397 1 14 . 1 1 58 58 ASP N N 58 118.298 118.298 119.343 -1.045 25446
5398 1 14 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.430 0.238 25446
5399 1 14 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.997 -1.195 25446
5400 1 14 . 1 1 58 58 ASP H H 58 7.971 7.971 7.853 0.118 25446
5401 1 14 . 1 1 59 59 VAL N N 59 118.443 118.443 118.396 0.047 25446
5402 1 14 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.251 -0.042 25446
5403 1 14 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.297 0.773 25446
5404 1 14 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.603 -1.274 25446
5405 1 14 . 1 1 59 59 VAL H H 59 7.700 7.700 7.362 0.338 25446
5406 1 14 . 1 1 60 60 GLU N N 60 122.777 122.777 126.193 -3.416 25446
5407 1 14 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.384 -0.101 25446
5408 1 14 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.258 0.060 25446
5409 1 14 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.406 -0.529 25446
5410 1 14 . 1 1 60 60 GLU H H 60 8.416 8.416 8.390 0.026 25446
5411 1 14 . 1 1 61 61 LEU N N 61 124.910 124.910 125.118 -0.208 25446
5412 1 14 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.633 -0.276 25446
5413 1 14 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.453 0.709 25446
5414 1 14 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.199 -1.353 25446
5415 1 14 . 1 1 61 61 LEU H H 61 8.249 8.249 8.463 -0.214 25446
5416 1 14 . 1 1 62 62 SER N N 62 118.228 118.228 116.928 1.300 25446
5417 1 14 . 1 1 62 62 SER HA H 62 4.816 4.816 4.966 -0.150 25446
5418 1 14 . 1 1 62 62 SER CB C 62 63.963 63.963 65.657 -1.694 25446
5419 1 14 . 1 1 62 62 SER H H 62 8.025 8.025 8.187 -0.162 25446
5420 1 14 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.620 -0.366 25446
5421 1 14 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.057 -0.163 25446
5422 1 14 . 1 1 64 64 GLU N N 64 116.457 116.457 118.196 -1.739 25446
5423 1 14 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.102 -0.235 25446
5424 1 14 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.175 -0.429 25446
5425 1 14 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.235 -0.528 25446
5426 1 14 . 1 1 64 64 GLU H H 64 8.310 8.310 8.987 -0.677 25446
5427 1 14 . 1 1 65 65 HIS N N 65 114.998 114.998 118.895 -3.897 25446
5428 1 14 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.041 0.256 25446
5429 1 14 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.079 -0.714 25446
5430 1 14 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.389 0.218 25446
5431 1 14 . 1 1 65 65 HIS H H 65 7.324 7.324 7.632 -0.308 25446
5432 1 14 . 1 1 66 66 PHE N N 66 115.965 115.965 114.887 1.078 25446
5433 1 14 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.419 0.363 25446
5434 1 14 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.291 -2.625 25446
5435 1 14 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.382 0.602 25446
5436 1 14 . 1 1 66 66 PHE H H 66 7.245 7.245 7.345 -0.100 25446
5437 1 14 . 1 1 67 67 ARG N N 67 112.179 112.179 118.194 -6.015 25446
5438 1 14 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.997 0.087 25446
5439 1 14 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.164 0.127 25446
5440 1 14 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.904 0.733 25446
5441 1 14 . 1 1 67 67 ARG H H 67 6.632 6.632 7.545 -0.913 25446
5442 1 14 . 1 1 68 68 SER N N 68 109.181 109.181 109.580 -0.399 25446
5443 1 14 . 1 1 68 68 SER HA H 68 4.985 4.985 4.689 0.296 25446
5444 1 14 . 1 1 68 68 SER CA C 68 55.664 55.664 56.324 -0.660 25446
5445 1 14 . 1 1 68 68 SER CB C 68 67.608 67.608 65.963 1.645 25446
5446 1 14 . 1 1 68 68 SER H H 68 8.139 8.139 7.319 0.820 25446
5447 1 14 . 1 1 69 69 ILE N N 69 122.526 122.526 123.546 -1.020 25446
5448 1 14 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.731 -0.049 25446
5449 1 14 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.257 1.481 25446
5450 1 14 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.729 -0.741 25446
5451 1 14 . 1 1 69 69 ILE H H 69 9.770 9.770 8.950 0.820 25446
5452 1 14 . 1 1 70 70 ARG N N 70 118.671 118.671 120.350 -1.679 25446
5453 1 14 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.907 0.061 25446
5454 1 14 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.985 0.344 25446
5455 1 14 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.808 0.492 25446
5456 1 14 . 1 1 70 70 ARG H H 70 8.860 8.860 8.521 0.339 25446
5457 1 14 . 1 1 71 71 SER N N 71 117.722 117.722 115.547 2.175 25446
5458 1 14 . 1 1 71 71 SER HA H 71 4.346 4.346 4.183 0.163 25446
5459 1 14 . 1 1 71 71 SER CB C 71 62.962 62.962 62.751 0.211 25446
5460 1 14 . 1 1 71 71 SER H H 71 8.534 8.534 7.622 0.912 25446
5461 1 14 . 1 1 72 72 ILE N N 72 127.380 127.380 122.085 5.295 25446
5462 1 14 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.547 0.378 25446
5463 1 14 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.000 1.745 25446
5464 1 14 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.556 -0.195 25446
5465 1 14 . 1 1 72 72 ILE H H 72 8.789 8.789 7.026 1.763 25446
5466 1 14 . 1 1 73 73 ASP N N 73 121.443 121.443 120.963 0.480 25446
5467 1 14 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.253 -0.241 25446
5468 1 14 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.392 1.708 25446
5469 1 14 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.564 3.116 25446
5470 1 14 . 1 1 73 73 ASP H H 73 8.699 8.699 7.995 0.704 25446
5471 1 14 . 1 1 74 74 ALA N N 74 118.799 118.799 122.667 -3.868 25446
5472 1 14 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.120 -0.081 25446
5473 1 14 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.083 0.152 25446
5474 1 14 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.601 -0.652 25446
5475 1 14 . 1 1 74 74 ALA H H 74 8.042 8.042 7.923 0.119 25446
5476 1 14 . 1 1 75 75 PHE N N 75 121.125 121.125 118.342 2.783 25446
5477 1 14 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.192 -0.147 25446
5478 1 14 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.592 -0.641 25446
5479 1 14 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.717 0.154 25446
5480 1 14 . 1 1 75 75 PHE H H 75 8.369 8.369 8.053 0.316 25446
5481 1 14 . 1 1 76 76 VAL N N 76 120.715 120.715 119.128 1.587 25446
5482 1 14 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.611 -0.661 25446
5483 1 14 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.080 -0.251 25446
5484 1 14 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.291 -0.064 25446
5485 1 14 . 1 1 76 76 VAL H H 76 8.555 8.555 8.529 0.026 25446
5486 1 14 . 1 1 77 77 VAL N N 77 121.286 121.286 119.729 1.557 25446
5487 1 14 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.626 -0.133 25446
5488 1 14 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.309 0.469 25446
5489 1 14 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.566 0.300 25446
5490 1 14 . 1 1 77 77 VAL H H 77 8.770 8.770 8.492 0.278 25446
5491 1 14 . 1 1 78 78 GLY N N 78 106.349 106.349 105.878 0.471 25446
5492 1 14 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.664 -0.032 25446
5493 1 14 . 1 1 78 78 GLY H H 78 7.976 7.976 8.066 -0.090 25446
5494 1 14 . 1 1 79 79 ALA N N 79 120.998 120.998 122.178 -1.180 25446
5495 1 14 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.617 -0.410 25446
5496 1 14 . 1 1 79 79 ALA CA C 79 52.796 52.796 53.005 -0.209 25446
5497 1 14 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.585 -1.319 25446
5498 1 14 . 1 1 79 79 ALA H H 79 7.647 7.647 7.344 0.303 25446
5499 1 14 . 1 1 80 80 THR N N 80 107.402 107.402 114.192 -6.790 25446
5500 1 14 . 1 1 80 80 THR HA H 80 4.454 4.454 4.432 0.022 25446
5501 1 14 . 1 1 80 80 THR CA C 80 61.337 61.337 61.754 -0.417 25446
5502 1 14 . 1 1 80 80 THR CB C 80 70.703 70.703 70.811 -0.107 25446
5503 1 14 . 1 1 80 80 THR H H 80 7.469 7.469 8.278 -0.809 25446
5504 1 14 . 1 1 81 81 THR N N 81 119.746 119.746 118.081 1.665 25446
5505 1 14 . 1 1 81 81 THR HA H 81 4.668 4.668 4.630 0.038 25446
5506 1 14 . 1 1 81 81 THR CA C 81 60.448 60.448 58.285 2.163 25446
5507 1 14 . 1 1 81 81 THR CB C 81 70.062 70.062 69.371 0.691 25446
5508 1 14 . 1 1 81 81 THR H H 81 7.684 7.684 8.008 -0.324 25446
5509 1 14 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.740 -0.041 25446
5510 1 14 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.825 0.785 25446
5511 1 14 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.352 -0.348 25446
5512 1 14 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.300 0.173 25446
5513 1 14 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.318 0.493 25446
5514 1 14 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.213 -0.132 25446
5515 1 14 . 1 1 84 84 VAL N N 84 120.611 120.611 122.491 -1.880 25446
5516 1 14 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.227 -0.180 25446
5517 1 14 . 1 1 84 84 VAL CA C 84 62.313 62.313 61.206 1.107 25446
5518 1 14 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.425 -1.553 25446
5519 1 14 . 1 1 84 84 VAL H H 84 8.240 8.240 8.098 0.142 25446
5520 1 14 . 1 1 85 85 GLU N N 85 125.076 125.076 126.679 -1.603 25446
5521 1 14 . 1 1 85 85 GLU H H 85 8.434 8.434 8.902 -0.468 25446
5522 1 14 . 1 1 86 86 ALA N N 86 126.280 126.280 117.220 9.060 25446
5523 1 14 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.968 1.320 25446
5524 1 14 . 1 1 86 86 ALA H H 86 8.340 8.340 7.617 0.723 25446
5525 1 14 . 1 1 87 87 LYS N N 87 121.709 121.709 123.033 -1.324 25446
5526 1 14 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.204 1.000 25446
5527 1 14 . 1 1 87 87 LYS H H 87 8.334 8.334 9.521 -1.187 25446
5528 1 14 . 1 1 88 88 LEU N N 88 125.379 125.379 118.325 7.054 25446
5529 1 14 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.966 -3.966 25446
5530 1 14 . 1 1 88 88 LEU H H 88 8.435 8.435 8.015 0.420 25446
5531 1 15 . 1 1 2 2 GLN N N 2 123.771 123.771 119.187 4.584 25446
5532 1 15 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.612 -0.482 25446
5533 1 15 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.168 2.381 25446
5534 1 15 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.611 -0.449 25446
5535 1 15 . 1 1 2 2 GLN H H 2 9.634 9.634 8.479 1.155 25446
5536 1 15 . 1 1 3 3 HIS N N 3 119.013 119.013 118.712 0.301 25446
5537 1 15 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.094 1.090 25446
5538 1 15 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.634 -2.631 25446
5539 1 15 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.638 1.450 25446
5540 1 15 . 1 1 3 3 HIS H H 3 9.946 9.946 8.802 1.144 25446
5541 1 15 . 1 1 4 4 ALA N N 4 122.550 122.550 120.520 2.030 25446
5542 1 15 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.977 -0.086 25446
5543 1 15 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.354 1.206 25446
5544 1 15 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.871 -0.079 25446
5545 1 15 . 1 1 4 4 ALA H H 4 7.524 7.524 8.522 -0.998 25446
5546 1 15 . 1 1 5 5 SER N N 5 112.310 112.310 112.213 0.097 25446
5547 1 15 . 1 1 5 5 SER HA H 5 4.295 4.295 4.107 0.188 25446
5548 1 15 . 1 1 5 5 SER CA C 5 62.089 62.089 61.532 0.557 25446
5549 1 15 . 1 1 5 5 SER CB C 5 62.421 62.421 62.399 0.022 25446
5550 1 15 . 1 1 5 5 SER H H 5 8.772 8.772 8.220 0.552 25446
5551 1 15 . 1 1 6 6 VAL N N 6 122.625 122.625 122.647 -0.022 25446
5552 1 15 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.770 0.341 25446
5553 1 15 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.337 -0.629 25446
5554 1 15 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.379 1.361 25446
5555 1 15 . 1 1 6 6 VAL H H 6 7.657 7.657 7.124 0.533 25446
5556 1 15 . 1 1 7 7 ILE N N 7 121.536 121.536 120.991 0.545 25446
5557 1 15 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.749 0.477 25446
5558 1 15 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.960 -0.667 25446
5559 1 15 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.378 1.253 25446
5560 1 15 . 1 1 7 7 ILE H H 7 8.526 8.526 7.824 0.702 25446
5561 1 15 . 1 1 8 8 ALA N N 8 121.229 121.229 121.603 -0.374 25446
5562 1 15 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.013 -0.117 25446
5563 1 15 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.503 0.739 25446
5564 1 15 . 1 1 8 8 ALA CB C 8 18.731 18.731 17.995 0.736 25446
5565 1 15 . 1 1 8 8 ALA H H 8 8.946 8.946 8.082 0.864 25446
5566 1 15 . 1 1 9 9 GLN N N 9 114.998 114.998 119.375 -4.377 25446
5567 1 15 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.017 -0.144 25446
5568 1 15 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.943 0.016 25446
5569 1 15 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.873 -1.060 25446
5570 1 15 . 1 1 9 9 GLN H H 9 7.731 7.731 8.250 -0.519 25446
5571 1 15 . 1 1 10 10 PHE N N 10 120.075 120.075 121.225 -1.150 25446
5572 1 15 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.217 -0.139 25446
5573 1 15 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.406 -0.552 25446
5574 1 15 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.450 -0.627 25446
5575 1 15 . 1 1 10 10 PHE H H 10 7.299 7.299 8.906 -1.607 25446
5576 1 15 . 1 1 11 11 VAL N N 11 117.458 117.458 118.375 -0.917 25446
5577 1 15 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.734 -0.427 25446
5578 1 15 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.083 -0.639 25446
5579 1 15 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.812 -0.124 25446
5580 1 15 . 1 1 11 11 VAL H H 11 8.363 8.363 8.645 -0.282 25446
5581 1 15 . 1 1 12 12 VAL N N 12 117.722 117.722 119.883 -2.161 25446
5582 1 15 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.835 0.912 25446
5583 1 15 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.431 0.488 25446
5584 1 15 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.241 1.026 25446
5585 1 15 . 1 1 12 12 VAL H H 12 8.289 8.289 8.657 -0.368 25446
5586 1 15 . 1 1 13 13 GLU N N 13 117.827 117.827 120.054 -2.227 25446
5587 1 15 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.765 -0.023 25446
5588 1 15 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.264 -0.071 25446
5589 1 15 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.100 0.394 25446
5590 1 15 . 1 1 13 13 GLU H H 13 7.758 7.758 8.261 -0.503 25446
5591 1 15 . 1 1 14 14 GLU N N 14 113.425 113.425 118.988 -5.563 25446
5592 1 15 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.021 -0.249 25446
5593 1 15 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.327 -1.720 25446
5594 1 15 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.251 -0.752 25446
5595 1 15 . 1 1 14 14 GLU H H 14 7.604 7.604 7.583 0.021 25446
5596 1 15 . 1 1 15 15 PHE N N 15 114.097 114.097 114.471 -0.374 25446
5597 1 15 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.759 0.182 25446
5598 1 15 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.572 2.421 25446
5599 1 15 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.163 2.829 25446
5600 1 15 . 1 1 15 15 PHE H H 15 7.916 7.916 7.414 0.502 25446
5601 1 15 . 1 1 16 16 LEU N N 16 121.405 121.405 121.513 -0.108 25446
5602 1 15 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.395 0.572 25446
5603 1 15 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.009 -0.692 25446
5604 1 15 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.528 3.207 25446
5605 1 15 . 1 1 16 16 LEU H H 16 8.046 8.046 7.329 0.717 25446
5606 1 15 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.461 -0.087 25446
5607 1 15 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.330 2.335 25446
5608 1 15 . 1 1 18 18 ASP N N 18 116.413 116.413 117.904 -1.491 25446
5609 1 15 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.558 0.026 25446
5610 1 15 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.546 0.044 25446
5611 1 15 . 1 1 18 18 ASP H H 18 8.415 8.415 8.437 -0.022 25446
5612 1 15 . 1 1 19 19 VAL N N 19 122.077 122.077 119.474 2.603 25446
5613 1 15 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.089 0.024 25446
5614 1 15 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.655 0.692 25446
5615 1 15 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.099 -0.712 25446
5616 1 15 . 1 1 19 19 VAL H H 19 7.771 7.771 7.343 0.428 25446
5617 1 15 . 1 1 20 20 ALA N N 20 129.197 129.197 130.327 -1.130 25446
5618 1 15 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.445 0.143 25446
5619 1 15 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.280 -0.052 25446
5620 1 15 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.281 -0.858 25446
5621 1 15 . 1 1 20 20 ALA H H 20 8.765 8.765 8.184 0.581 25446
5622 1 15 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.063 0.011 25446
5623 1 15 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.626 0.515 25446
5624 1 15 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.685 -0.347 25446
5625 1 15 . 1 1 22 22 ALA N N 22 115.949 115.949 117.522 -1.573 25446
5626 1 15 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.141 -0.024 25446
5627 1 15 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.150 -0.367 25446
5628 1 15 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.465 0.287 25446
5629 1 15 . 1 1 22 22 ALA H H 22 8.074 8.074 7.954 0.120 25446
5630 1 15 . 1 1 23 23 ASP N N 23 115.451 115.451 116.913 -1.462 25446
5631 1 15 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.815 -0.163 25446
5632 1 15 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.814 0.630 25446
5633 1 15 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.269 -0.129 25446
5634 1 15 . 1 1 23 23 ASP H H 23 8.023 8.023 8.245 -0.222 25446
5635 1 15 . 1 1 24 24 VAL N N 24 121.382 121.382 120.880 0.502 25446
5636 1 15 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.117 -0.289 25446
5637 1 15 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.446 0.865 25446
5638 1 15 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.424 -1.560 25446
5639 1 15 . 1 1 24 24 VAL H H 24 7.072 7.072 7.289 -0.217 25446
5640 1 15 . 1 1 25 25 ASP N N 25 129.258 129.258 129.072 0.186 25446
5641 1 15 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.624 -0.052 25446
5642 1 15 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.411 0.059 25446
5643 1 15 . 1 1 25 25 ASP H H 25 8.499 8.499 8.809 -0.310 25446
5644 1 15 . 1 1 26 26 VAL N N 26 121.736 121.736 122.176 -0.440 25446
5645 1 15 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.841 0.267 25446
5646 1 15 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.796 0.680 25446
5647 1 15 . 1 1 26 26 VAL CB C 26 31.217 31.217 32.092 -0.875 25446
5648 1 15 . 1 1 26 26 VAL H H 26 8.566 8.566 7.886 0.680 25446
5649 1 15 . 1 1 27 27 ASP N N 27 116.233 116.233 117.715 -1.482 25446
5650 1 15 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.688 0.466 25446
5651 1 15 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.181 -0.058 25446
5652 1 15 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.371 2.221 25446
5653 1 15 . 1 1 27 27 ASP H H 27 8.638 8.638 8.007 0.631 25446
5654 1 15 . 1 1 28 28 LEU N N 28 125.046 125.046 122.581 2.465 25446
5655 1 15 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.439 -0.413 25446
5656 1 15 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.873 0.994 25446
5657 1 15 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.541 -0.133 25446
5658 1 15 . 1 1 28 28 LEU H H 28 7.389 7.389 7.610 -0.221 25446
5659 1 15 . 1 1 29 29 ASP N N 29 125.807 125.807 124.644 1.163 25446
5660 1 15 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.577 0.254 25446
5661 1 15 . 1 1 29 29 ASP H H 29 8.731 8.731 8.591 0.140 25446
5662 1 15 . 1 1 30 30 LEU N N 30 130.007 130.007 121.264 8.743 25446
5663 1 15 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.489 -0.591 25446
5664 1 15 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.133 0.286 25446
5665 1 15 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.811 0.312 25446
5666 1 15 . 1 1 30 30 LEU H H 30 9.744 9.744 8.340 1.404 25446
5667 1 15 . 1 1 31 31 VAL N N 31 121.093 121.093 121.958 -0.865 25446
5668 1 15 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.618 0.608 25446
5669 1 15 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.362 -1.971 25446
5670 1 15 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.905 1.276 25446
5671 1 15 . 1 1 31 31 VAL H H 31 8.166 8.166 7.998 0.168 25446
5672 1 15 . 1 1 32 32 ASP N N 32 124.657 124.657 119.844 4.813 25446
5673 1 15 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.375 -0.012 25446
5674 1 15 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.956 0.163 25446
5675 1 15 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.105 0.655 25446
5676 1 15 . 1 1 32 32 ASP H H 32 9.365 9.365 8.219 1.146 25446
5677 1 15 . 1 1 33 33 ASN N N 33 111.260 111.260 117.711 -6.451 25446
5678 1 15 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.575 0.165 25446
5679 1 15 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.911 0.901 25446
5680 1 15 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.882 1.224 25446
5681 1 15 . 1 1 33 33 ASN H H 33 7.423 7.423 7.660 -0.237 25446
5682 1 15 . 1 1 34 34 GLY N N 34 106.935 106.935 110.151 -3.216 25446
5683 1 15 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.981 -0.357 25446
5684 1 15 . 1 1 34 34 GLY H H 34 7.648 7.648 8.632 -0.984 25446
5685 1 15 . 1 1 35 35 VAL N N 35 120.307 120.307 123.267 -2.960 25446
5686 1 15 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.651 0.129 25446
5687 1 15 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.542 0.483 25446
5688 1 15 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.446 0.343 25446
5689 1 15 . 1 1 35 35 VAL H H 35 7.838 7.838 7.411 0.427 25446
5690 1 15 . 1 1 36 36 ILE N N 36 116.154 116.154 120.035 -3.881 25446
5691 1 15 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.695 0.064 25446
5692 1 15 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.612 -3.036 25446
5693 1 15 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.486 1.739 25446
5694 1 15 . 1 1 36 36 ILE H H 36 7.337 7.337 8.487 -1.150 25446
5695 1 15 . 1 1 37 37 ASP N N 37 126.730 126.730 120.517 6.213 25446
5696 1 15 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.551 1.178 25446
5697 1 15 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.717 -5.080 25446
5698 1 15 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.070 1.181 25446
5699 1 15 . 1 1 37 37 ASP H H 37 7.921 7.921 8.380 -0.459 25446
5700 1 15 . 1 1 38 38 SER N N 38 113.176 113.176 113.952 -0.776 25446
5701 1 15 . 1 1 38 38 SER HA H 38 4.122 4.122 4.510 -0.388 25446
5702 1 15 . 1 1 38 38 SER CA C 38 61.062 61.062 59.593 1.469 25446
5703 1 15 . 1 1 39 39 LEU N N 39 122.521 122.521 123.533 -1.012 25446
5704 1 15 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.063 0.210 25446
5705 1 15 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.435 -1.065 25446
5706 1 15 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.921 -0.662 25446
5707 1 15 . 1 1 39 39 LEU H H 39 7.675 7.675 7.749 -0.074 25446
5708 1 15 . 1 1 40 40 GLY N N 40 111.971 111.971 106.200 5.771 25446
5709 1 15 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.980 1.140 25446
5710 1 15 . 1 1 40 40 GLY H H 40 8.776 8.776 7.568 1.208 25446
5711 1 15 . 1 1 41 41 LEU N N 41 122.579 122.579 123.518 -0.939 25446
5712 1 15 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.176 -0.331 25446
5713 1 15 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.747 0.518 25446
5714 1 15 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.953 -0.374 25446
5715 1 15 . 1 1 41 41 LEU H H 41 8.551 8.551 8.358 0.193 25446
5716 1 15 . 1 1 42 42 LEU N N 42 116.126 116.126 119.004 -2.878 25446
5717 1 15 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.955 0.054 25446
5718 1 15 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.397 -0.296 25446
5719 1 15 . 1 1 42 42 LEU CB C 42 40.947 40.947 40.896 0.051 25446
5720 1 15 . 1 1 42 42 LEU H H 42 7.213 7.213 8.344 -1.131 25446
5721 1 15 . 1 1 43 43 LYS N N 43 119.793 119.793 119.549 0.244 25446
5722 1 15 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.089 0.193 25446
5723 1 15 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.907 -0.337 25446
5724 1 15 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.367 0.170 25446
5725 1 15 . 1 1 43 43 LYS H H 43 7.664 7.664 7.579 0.085 25446
5726 1 15 . 1 1 44 44 VAL N N 44 121.147 121.147 120.714 0.433 25446
5727 1 15 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.114 -0.177 25446
5728 1 15 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.325 -0.507 25446
5729 1 15 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.763 -0.204 25446
5730 1 15 . 1 1 44 44 VAL H H 44 8.278 8.278 8.508 -0.230 25446
5731 1 15 . 1 1 45 45 ILE N N 45 119.222 119.222 120.973 -1.751 25446
5732 1 15 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.803 -0.398 25446
5733 1 15 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.147 1.913 25446
5734 1 15 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.049 1.190 25446
5735 1 15 . 1 1 45 45 ILE H H 45 8.127 8.127 8.382 -0.255 25446
5736 1 15 . 1 1 46 46 ALA N N 46 121.011 121.011 123.131 -2.120 25446
5737 1 15 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.134 0.098 25446
5738 1 15 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.258 -0.298 25446
5739 1 15 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.520 -0.180 25446
5740 1 15 . 1 1 46 46 ALA H H 46 7.811 7.811 8.126 -0.315 25446
5741 1 15 . 1 1 47 47 TRP N N 47 121.158 121.158 120.895 0.263 25446
5742 1 15 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.438 -0.203 25446
5743 1 15 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.344 1.490 25446
5744 1 15 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.830 -1.610 25446
5745 1 15 . 1 1 47 47 TRP H H 47 8.094 8.094 8.418 -0.324 25446
5746 1 15 . 1 1 48 48 LEU N N 48 118.890 118.890 122.230 -3.340 25446
5747 1 15 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.828 0.745 25446
5748 1 15 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.468 -0.276 25446
5749 1 15 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.576 0.678 25446
5750 1 15 . 1 1 48 48 LEU H H 48 8.704 8.704 9.001 -0.297 25446
5751 1 15 . 1 1 49 49 GLU N N 49 118.917 118.917 119.715 -0.798 25446
5752 1 15 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.072 -0.026 25446
5753 1 15 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.506 0.202 25446
5754 1 15 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.153 0.463 25446
5755 1 15 . 1 1 49 49 GLU H H 49 7.808 7.808 8.024 -0.216 25446
5756 1 15 . 1 1 50 50 ASP N N 50 119.614 119.614 119.525 0.089 25446
5757 1 15 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.394 -0.154 25446
5758 1 15 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.168 0.841 25446
5759 1 15 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.861 1.516 25446
5760 1 15 . 1 1 50 50 ASP H H 50 7.677 7.677 7.406 0.271 25446
5761 1 15 . 1 1 51 51 ARG N N 51 116.918 116.918 118.537 -1.619 25446
5762 1 15 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.863 -0.138 25446
5763 1 15 . 1 1 51 51 ARG CA C 51 56.288 56.288 57.972 -1.684 25446
5764 1 15 . 1 1 51 51 ARG CB C 51 29.284 29.284 29.885 -0.601 25446
5765 1 15 . 1 1 51 51 ARG H H 51 8.876 8.876 7.697 1.179 25446
5766 1 15 . 1 1 52 52 PHE N N 52 112.278 112.278 113.725 -1.447 25446
5767 1 15 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.606 0.051 25446
5768 1 15 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.088 -1.038 25446
5769 1 15 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.900 0.852 25446
5770 1 15 . 1 1 52 52 PHE H H 52 7.330 7.330 7.769 -0.439 25446
5771 1 15 . 1 1 53 53 GLY N N 53 109.717 109.717 109.707 0.010 25446
5772 1 15 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.524 1.122 25446
5773 1 15 . 1 1 53 53 GLY H H 53 7.411 7.411 8.274 -0.863 25446
5774 1 15 . 1 1 54 54 ILE N N 54 119.148 119.148 120.359 -1.211 25446
5775 1 15 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.205 -0.262 25446
5776 1 15 . 1 1 54 54 ILE CA C 54 60.600 60.600 59.890 0.710 25446
5777 1 15 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.891 -0.382 25446
5778 1 15 . 1 1 54 54 ILE H H 54 6.901 6.901 7.383 -0.482 25446
5779 1 15 . 1 1 55 55 ALA N N 55 129.774 129.774 128.212 1.562 25446
5780 1 15 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.215 0.187 25446
5781 1 15 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.769 -1.121 25446
5782 1 15 . 1 1 55 55 ALA H H 55 8.538 8.538 8.271 0.267 25446
5783 1 15 . 1 1 56 56 ALA N N 56 126.034 126.034 123.422 2.612 25446
5784 1 15 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.114 0.159 25446
5785 1 15 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.617 -0.005 25446
5786 1 15 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.984 0.138 25446
5787 1 15 . 1 1 56 56 ALA H H 56 8.620 8.620 8.353 0.267 25446
5788 1 15 . 1 1 57 57 ASP N N 57 115.649 115.649 116.083 -0.434 25446
5789 1 15 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.446 0.030 25446
5790 1 15 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.531 0.639 25446
5791 1 15 . 1 1 57 57 ASP H H 57 8.321 8.321 8.341 -0.020 25446
5792 1 15 . 1 1 58 58 ASP N N 58 118.298 118.298 119.840 -1.542 25446
5793 1 15 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.530 0.138 25446
5794 1 15 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.542 0.260 25446
5795 1 15 . 1 1 58 58 ASP H H 58 7.971 7.971 8.323 -0.352 25446
5796 1 15 . 1 1 59 59 VAL N N 59 118.443 118.443 120.822 -2.379 25446
5797 1 15 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.530 -0.321 25446
5798 1 15 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.069 2.001 25446
5799 1 15 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.937 -1.607 25446
5800 1 15 . 1 1 59 59 VAL H H 59 7.700 7.700 7.860 -0.160 25446
5801 1 15 . 1 1 60 60 GLU N N 60 122.777 122.777 121.386 1.391 25446
5802 1 15 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.290 -0.007 25446
5803 1 15 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.762 -0.444 25446
5804 1 15 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.140 -0.263 25446
5805 1 15 . 1 1 60 60 GLU H H 60 8.416 8.416 8.381 0.035 25446
5806 1 15 . 1 1 61 61 LEU N N 61 124.910 124.910 125.450 -0.540 25446
5807 1 15 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.693 -0.336 25446
5808 1 15 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.328 0.834 25446
5809 1 15 . 1 1 61 61 LEU CB C 61 41.845 41.845 44.254 -2.409 25446
5810 1 15 . 1 1 61 61 LEU H H 61 8.249 8.249 8.380 -0.131 25446
5811 1 15 . 1 1 62 62 SER N N 62 118.228 118.228 117.412 0.816 25446
5812 1 15 . 1 1 62 62 SER HA H 62 4.816 4.816 4.908 -0.092 25446
5813 1 15 . 1 1 62 62 SER CB C 62 63.963 63.963 64.485 -0.522 25446
5814 1 15 . 1 1 62 62 SER H H 62 8.025 8.025 8.240 -0.215 25446
5815 1 15 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.589 -0.335 25446
5816 1 15 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.023 -0.129 25446
5817 1 15 . 1 1 64 64 GLU N N 64 116.457 116.457 118.473 -2.016 25446
5818 1 15 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.133 -0.266 25446
5819 1 15 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.386 -0.640 25446
5820 1 15 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.011 -0.304 25446
5821 1 15 . 1 1 64 64 GLU H H 64 8.310 8.310 9.014 -0.704 25446
5822 1 15 . 1 1 65 65 HIS N N 65 114.998 114.998 119.449 -4.451 25446
5823 1 15 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.218 0.079 25446
5824 1 15 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.289 -0.924 25446
5825 1 15 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.575 0.032 25446
5826 1 15 . 1 1 65 65 HIS H H 65 7.324 7.324 7.817 -0.493 25446
5827 1 15 . 1 1 66 66 PHE N N 66 115.965 115.965 114.726 1.239 25446
5828 1 15 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.495 0.287 25446
5829 1 15 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.242 -2.576 25446
5830 1 15 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.696 0.288 25446
5831 1 15 . 1 1 66 66 PHE H H 66 7.245 7.245 7.589 -0.344 25446
5832 1 15 . 1 1 67 67 ARG N N 67 112.179 112.179 119.851 -7.672 25446
5833 1 15 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.013 0.071 25446
5834 1 15 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.979 0.312 25446
5835 1 15 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.790 0.847 25446
5836 1 15 . 1 1 67 67 ARG H H 67 6.632 6.632 7.579 -0.947 25446
5837 1 15 . 1 1 68 68 SER N N 68 109.181 109.181 108.417 0.764 25446
5838 1 15 . 1 1 68 68 SER HA H 68 4.985 4.985 4.731 0.254 25446
5839 1 15 . 1 1 68 68 SER CA C 68 55.664 55.664 56.117 -0.453 25446
5840 1 15 . 1 1 68 68 SER CB C 68 67.608 67.608 66.395 1.213 25446
5841 1 15 . 1 1 68 68 SER H H 68 8.139 8.139 7.386 0.753 25446
5842 1 15 . 1 1 69 69 ILE N N 69 122.526 122.526 122.979 -0.453 25446
5843 1 15 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.785 -0.103 25446
5844 1 15 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.723 2.015 25446
5845 1 15 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.783 -0.795 25446
5846 1 15 . 1 1 69 69 ILE H H 69 9.770 9.770 8.832 0.938 25446
5847 1 15 . 1 1 70 70 ARG N N 70 118.671 118.671 119.238 -0.567 25446
5848 1 15 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.961 0.007 25446
5849 1 15 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.717 0.612 25446
5850 1 15 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.706 0.594 25446
5851 1 15 . 1 1 70 70 ARG H H 70 8.860 8.860 8.415 0.445 25446
5852 1 15 . 1 1 71 71 SER N N 71 117.722 117.722 115.756 1.966 25446
5853 1 15 . 1 1 71 71 SER HA H 71 4.346 4.346 4.131 0.215 25446
5854 1 15 . 1 1 71 71 SER CB C 71 62.962 62.962 62.564 0.398 25446
5855 1 15 . 1 1 71 71 SER H H 71 8.534 8.534 7.622 0.912 25446
5856 1 15 . 1 1 72 72 ILE N N 72 127.380 127.380 121.833 5.547 25446
5857 1 15 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.633 0.292 25446
5858 1 15 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.354 2.391 25446
5859 1 15 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.691 -0.330 25446
5860 1 15 . 1 1 72 72 ILE H H 72 8.789 8.789 7.142 1.647 25446
5861 1 15 . 1 1 73 73 ASP N N 73 121.443 121.443 120.552 0.891 25446
5862 1 15 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.324 -0.312 25446
5863 1 15 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.236 1.864 25446
5864 1 15 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.600 3.079 25446
5865 1 15 . 1 1 73 73 ASP H H 73 8.699 8.699 7.691 1.008 25446
5866 1 15 . 1 1 74 74 ALA N N 74 118.799 118.799 121.730 -2.931 25446
5867 1 15 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.071 -0.032 25446
5868 1 15 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.304 -0.069 25446
5869 1 15 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.157 -0.208 25446
5870 1 15 . 1 1 74 74 ALA H H 74 8.042 8.042 7.724 0.318 25446
5871 1 15 . 1 1 75 75 PHE N N 75 121.125 121.125 119.688 1.437 25446
5872 1 15 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.173 -0.128 25446
5873 1 15 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.277 -0.326 25446
5874 1 15 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.388 -0.517 25446
5875 1 15 . 1 1 75 75 PHE H H 75 8.369 8.369 7.592 0.777 25446
5876 1 15 . 1 1 76 76 VAL N N 76 120.715 120.715 119.042 1.673 25446
5877 1 15 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.600 -0.650 25446
5878 1 15 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.936 -0.107 25446
5879 1 15 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.177 0.050 25446
5880 1 15 . 1 1 76 76 VAL H H 76 8.555 8.555 7.895 0.660 25446
5881 1 15 . 1 1 77 77 VAL N N 77 121.286 121.286 119.801 1.485 25446
5882 1 15 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.985 -0.492 25446
5883 1 15 . 1 1 77 77 VAL CA C 77 66.778 66.778 64.911 1.867 25446
5884 1 15 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.245 0.621 25446
5885 1 15 . 1 1 77 77 VAL H H 77 8.770 8.770 8.561 0.209 25446
5886 1 15 . 1 1 78 78 GLY N N 78 106.349 106.349 105.560 0.789 25446
5887 1 15 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.203 0.429 25446
5888 1 15 . 1 1 78 78 GLY H H 78 7.976 7.976 7.966 0.010 25446
5889 1 15 . 1 1 79 79 ALA N N 79 120.998 120.998 122.824 -1.826 25446
5890 1 15 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.331 -0.124 25446
5891 1 15 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.774 0.022 25446
5892 1 15 . 1 1 79 79 ALA CB C 79 19.266 19.266 19.984 -0.718 25446
5893 1 15 . 1 1 79 79 ALA H H 79 7.647 7.647 7.277 0.370 25446
5894 1 15 . 1 1 80 80 THR N N 80 107.402 107.402 108.556 -1.154 25446
5895 1 15 . 1 1 80 80 THR HA H 80 4.454 4.454 4.398 0.056 25446
5896 1 15 . 1 1 80 80 THR CA C 80 61.337 61.337 60.879 0.458 25446
5897 1 15 . 1 1 80 80 THR CB C 80 70.703 70.703 71.087 -0.384 25446
5898 1 15 . 1 1 80 80 THR H H 80 7.469 7.469 7.923 -0.454 25446
5899 1 15 . 1 1 81 81 THR N N 81 119.746 119.746 116.296 3.450 25446
5900 1 15 . 1 1 81 81 THR HA H 81 4.668 4.668 4.696 -0.028 25446
5901 1 15 . 1 1 81 81 THR CA C 81 60.448 60.448 57.818 2.630 25446
5902 1 15 . 1 1 81 81 THR CB C 81 70.062 70.062 69.637 0.425 25446
5903 1 15 . 1 1 81 81 THR H H 81 7.684 7.684 8.103 -0.419 25446
5904 1 15 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.418 0.281 25446
5905 1 15 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.900 -0.290 25446
5906 1 15 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.460 0.544 25446
5907 1 15 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.403 0.070 25446
5908 1 15 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.837 -0.026 25446
5909 1 15 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.296 -0.215 25446
5910 1 15 . 1 1 84 84 VAL N N 84 120.611 120.611 116.261 4.350 25446
5911 1 15 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.399 -0.352 25446
5912 1 15 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.048 0.265 25446
5913 1 15 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.771 0.101 25446
5914 1 15 . 1 1 84 84 VAL H H 84 8.240 8.240 8.252 -0.012 25446
5915 1 15 . 1 1 85 85 GLU N N 85 125.076 125.076 126.345 -1.269 25446
5916 1 15 . 1 1 85 85 GLU H H 85 8.434 8.434 8.639 -0.205 25446
5917 1 15 . 1 1 86 86 ALA N N 86 126.280 126.280 123.946 2.334 25446
5918 1 15 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.145 0.143 25446
5919 1 15 . 1 1 86 86 ALA H H 86 8.340 8.340 8.585 -0.245 25446
5920 1 15 . 1 1 87 87 LYS N N 87 121.709 121.709 125.880 -4.171 25446
5921 1 15 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.382 0.822 25446
5922 1 15 . 1 1 87 87 LYS H H 87 8.334 8.334 8.730 -0.396 25446
5923 1 15 . 1 1 88 88 LEU N N 88 125.379 125.379 116.803 8.576 25446
5924 1 15 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.145 -4.145 25446
5925 1 15 . 1 1 88 88 LEU H H 88 8.435 8.435 8.020 0.415 25446
5926 1 16 . 1 1 2 2 GLN N N 2 123.771 123.771 123.240 0.531 25446
5927 1 16 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.367 -0.237 25446
5928 1 16 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.240 2.308 25446
5929 1 16 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.572 0.590 25446
5930 1 16 . 1 1 2 2 GLN H H 2 9.634 9.634 8.554 1.080 25446
5931 1 16 . 1 1 3 3 HIS N N 3 119.013 119.013 119.162 -0.149 25446
5932 1 16 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.064 1.120 25446
5933 1 16 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.001 -1.998 25446
5934 1 16 . 1 1 3 3 HIS CB C 3 31.088 31.088 28.495 2.592 25446
5935 1 16 . 1 1 3 3 HIS H H 3 9.946 9.946 9.069 0.877 25446
5936 1 16 . 1 1 4 4 ALA N N 4 122.550 122.550 120.417 2.133 25446
5937 1 16 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.055 -0.164 25446
5938 1 16 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.969 1.591 25446
5939 1 16 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.694 0.098 25446
5940 1 16 . 1 1 4 4 ALA H H 4 7.524 7.524 8.104 -0.580 25446
5941 1 16 . 1 1 5 5 SER N N 5 112.310 112.310 113.006 -0.696 25446
5942 1 16 . 1 1 5 5 SER HA H 5 4.295 4.295 4.156 0.139 25446
5943 1 16 . 1 1 5 5 SER CA C 5 62.089 62.089 60.925 1.164 25446
5944 1 16 . 1 1 5 5 SER CB C 5 62.421 62.421 62.682 -0.261 25446
5945 1 16 . 1 1 5 5 SER H H 5 8.772 8.772 8.254 0.518 25446
5946 1 16 . 1 1 6 6 VAL N N 6 122.625 122.625 122.656 -0.031 25446
5947 1 16 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.795 0.316 25446
5948 1 16 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.340 -0.631 25446
5949 1 16 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.758 0.982 25446
5950 1 16 . 1 1 6 6 VAL H H 6 7.657 7.657 7.378 0.279 25446
5951 1 16 . 1 1 7 7 ILE N N 7 121.536 121.536 119.918 1.618 25446
5952 1 16 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.792 0.434 25446
5953 1 16 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.169 0.124 25446
5954 1 16 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.433 1.198 25446
5955 1 16 . 1 1 7 7 ILE H H 7 8.526 8.526 7.400 1.126 25446
5956 1 16 . 1 1 8 8 ALA N N 8 121.229 121.229 122.607 -1.378 25446
5957 1 16 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.979 -0.083 25446
5958 1 16 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.579 0.663 25446
5959 1 16 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.352 0.379 25446
5960 1 16 . 1 1 8 8 ALA H H 8 8.946 8.946 7.767 1.179 25446
5961 1 16 . 1 1 9 9 GLN N N 9 114.998 114.998 119.165 -4.167 25446
5962 1 16 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.070 -0.197 25446
5963 1 16 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.210 0.749 25446
5964 1 16 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.278 -0.465 25446
5965 1 16 . 1 1 9 9 GLN H H 9 7.731 7.731 8.156 -0.425 25446
5966 1 16 . 1 1 10 10 PHE N N 10 120.075 120.075 121.952 -1.877 25446
5967 1 16 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.326 -0.248 25446
5968 1 16 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.311 -0.458 25446
5969 1 16 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.542 -0.719 25446
5970 1 16 . 1 1 10 10 PHE H H 10 7.299 7.299 8.691 -1.392 25446
5971 1 16 . 1 1 11 11 VAL N N 11 117.458 117.458 119.379 -1.921 25446
5972 1 16 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.785 -0.478 25446
5973 1 16 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.345 0.099 25446
5974 1 16 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.337 -0.648 25446
5975 1 16 . 1 1 11 11 VAL H H 11 8.363 8.363 8.716 -0.353 25446
5976 1 16 . 1 1 12 12 VAL N N 12 117.722 117.722 118.728 -1.006 25446
5977 1 16 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.728 1.019 25446
5978 1 16 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.915 0.004 25446
5979 1 16 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.168 0.099 25446
5980 1 16 . 1 1 12 12 VAL H H 12 8.289 8.289 8.073 0.216 25446
5981 1 16 . 1 1 13 13 GLU N N 13 117.827 117.827 119.533 -1.706 25446
5982 1 16 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.798 -0.056 25446
5983 1 16 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.139 0.054 25446
5984 1 16 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.103 0.391 25446
5985 1 16 . 1 1 13 13 GLU H H 13 7.758 7.758 7.776 -0.018 25446
5986 1 16 . 1 1 14 14 GLU N N 14 113.425 113.425 118.990 -5.565 25446
5987 1 16 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.042 -0.270 25446
5988 1 16 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.462 -1.855 25446
5989 1 16 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.055 -0.556 25446
5990 1 16 . 1 1 14 14 GLU H H 14 7.604 7.604 7.668 -0.064 25446
5991 1 16 . 1 1 15 15 PHE N N 15 114.097 114.097 114.542 -0.445 25446
5992 1 16 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.756 0.185 25446
5993 1 16 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.343 2.650 25446
5994 1 16 . 1 1 15 15 PHE CB C 15 41.992 41.992 38.914 3.078 25446
5995 1 16 . 1 1 15 15 PHE H H 15 7.916 7.916 7.409 0.507 25446
5996 1 16 . 1 1 16 16 LEU N N 16 121.405 121.405 121.488 -0.083 25446
5997 1 16 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.374 0.593 25446
5998 1 16 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.011 -0.694 25446
5999 1 16 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.528 3.207 25446
6000 1 16 . 1 1 16 16 LEU H H 16 8.046 8.046 7.327 0.719 25446
6001 1 16 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.474 -0.100 25446
6002 1 16 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.474 2.191 25446
6003 1 16 . 1 1 18 18 ASP N N 18 116.413 116.413 117.975 -1.562 25446
6004 1 16 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.466 0.118 25446
6005 1 16 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.206 0.384 25446
6006 1 16 . 1 1 18 18 ASP H H 18 8.415 8.415 8.465 -0.050 25446
6007 1 16 . 1 1 19 19 VAL N N 19 122.077 122.077 118.667 3.410 25446
6008 1 16 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.080 0.033 25446
6009 1 16 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.582 0.765 25446
6010 1 16 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.911 -0.524 25446
6011 1 16 . 1 1 19 19 VAL H H 19 7.771 7.771 7.275 0.496 25446
6012 1 16 . 1 1 20 20 ALA N N 20 129.197 129.197 130.096 -0.899 25446
6013 1 16 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.529 0.059 25446
6014 1 16 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.113 0.115 25446
6015 1 16 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.307 -0.884 25446
6016 1 16 . 1 1 20 20 ALA H H 20 8.765 8.765 8.430 0.335 25446
6017 1 16 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.074 -0.000 25446
6018 1 16 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.638 0.503 25446
6019 1 16 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.675 -0.338 25446
6020 1 16 . 1 1 22 22 ALA N N 22 115.949 115.949 117.209 -1.260 25446
6021 1 16 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.171 -0.054 25446
6022 1 16 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.105 -0.322 25446
6023 1 16 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.434 0.318 25446
6024 1 16 . 1 1 22 22 ALA H H 22 8.074 8.074 8.016 0.058 25446
6025 1 16 . 1 1 23 23 ASP N N 23 115.451 115.451 117.352 -1.901 25446
6026 1 16 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.766 -0.114 25446
6027 1 16 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.095 0.349 25446
6028 1 16 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.292 -0.152 25446
6029 1 16 . 1 1 23 23 ASP H H 23 8.023 8.023 8.382 -0.359 25446
6030 1 16 . 1 1 24 24 VAL N N 24 121.382 121.382 120.937 0.445 25446
6031 1 16 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.133 -0.305 25446
6032 1 16 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.880 1.431 25446
6033 1 16 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.392 -1.528 25446
6034 1 16 . 1 1 24 24 VAL H H 24 7.072 7.072 7.459 -0.387 25446
6035 1 16 . 1 1 25 25 ASP N N 25 129.258 129.258 127.110 2.148 25446
6036 1 16 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.592 -0.020 25446
6037 1 16 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.376 0.095 25446
6038 1 16 . 1 1 25 25 ASP H H 25 8.499 8.499 8.813 -0.314 25446
6039 1 16 . 1 1 26 26 VAL N N 26 121.736 121.736 120.483 1.253 25446
6040 1 16 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.860 0.248 25446
6041 1 16 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.665 0.811 25446
6042 1 16 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.774 -0.557 25446
6043 1 16 . 1 1 26 26 VAL H H 26 8.566 8.566 7.963 0.603 25446
6044 1 16 . 1 1 27 27 ASP N N 27 116.233 116.233 117.496 -1.263 25446
6045 1 16 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.662 0.492 25446
6046 1 16 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.259 -0.136 25446
6047 1 16 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.408 2.184 25446
6048 1 16 . 1 1 27 27 ASP H H 27 8.638 8.638 7.887 0.751 25446
6049 1 16 . 1 1 28 28 LEU N N 28 125.046 125.046 122.713 2.333 25446
6050 1 16 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.473 -0.447 25446
6051 1 16 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.872 0.995 25446
6052 1 16 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.588 -0.180 25446
6053 1 16 . 1 1 28 28 LEU H H 28 7.389 7.389 7.507 -0.118 25446
6054 1 16 . 1 1 29 29 ASP N N 29 125.807 125.807 125.727 0.080 25446
6055 1 16 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.755 0.076 25446
6056 1 16 . 1 1 29 29 ASP H H 29 8.731 8.731 8.665 0.066 25446
6057 1 16 . 1 1 30 30 LEU N N 30 130.007 130.007 121.433 8.574 25446
6058 1 16 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.517 -0.619 25446
6059 1 16 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.170 0.249 25446
6060 1 16 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.544 0.579 25446
6061 1 16 . 1 1 30 30 LEU H H 30 9.744 9.744 8.507 1.237 25446
6062 1 16 . 1 1 31 31 VAL N N 31 121.093 121.093 122.031 -0.938 25446
6063 1 16 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.610 0.616 25446
6064 1 16 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.816 -1.425 25446
6065 1 16 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.595 0.586 25446
6066 1 16 . 1 1 31 31 VAL H H 31 8.166 8.166 7.939 0.227 25446
6067 1 16 . 1 1 32 32 ASP N N 32 124.657 124.657 119.762 4.895 25446
6068 1 16 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.350 0.014 25446
6069 1 16 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.957 0.162 25446
6070 1 16 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.008 0.752 25446
6071 1 16 . 1 1 32 32 ASP H H 32 9.365 9.365 8.076 1.289 25446
6072 1 16 . 1 1 33 33 ASN N N 33 111.260 111.260 117.625 -6.365 25446
6073 1 16 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.458 0.282 25446
6074 1 16 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.549 1.263 25446
6075 1 16 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.295 1.811 25446
6076 1 16 . 1 1 33 33 ASN H H 33 7.423 7.423 7.846 -0.423 25446
6077 1 16 . 1 1 34 34 GLY N N 34 106.935 106.935 109.218 -2.283 25446
6078 1 16 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.942 -0.318 25446
6079 1 16 . 1 1 34 34 GLY H H 34 7.648 7.648 8.572 -0.924 25446
6080 1 16 . 1 1 35 35 VAL N N 35 120.307 120.307 122.629 -2.322 25446
6081 1 16 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.452 0.328 25446
6082 1 16 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.764 -0.739 25446
6083 1 16 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.746 0.043 25446
6084 1 16 . 1 1 35 35 VAL H H 35 7.838 7.838 7.287 0.551 25446
6085 1 16 . 1 1 36 36 ILE N N 36 116.154 116.154 118.466 -2.312 25446
6086 1 16 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.720 0.039 25446
6087 1 16 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.900 -3.324 25446
6088 1 16 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.700 1.525 25446
6089 1 16 . 1 1 36 36 ILE H H 36 7.337 7.337 8.469 -1.132 25446
6090 1 16 . 1 1 37 37 ASP N N 37 126.730 126.730 119.191 7.539 25446
6091 1 16 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.767 0.962 25446
6092 1 16 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.494 -4.857 25446
6093 1 16 . 1 1 37 37 ASP CB C 37 41.251 41.251 39.835 1.416 25446
6094 1 16 . 1 1 37 37 ASP H H 37 7.921 7.921 8.055 -0.134 25446
6095 1 16 . 1 1 38 38 SER N N 38 113.176 113.176 113.817 -0.641 25446
6096 1 16 . 1 1 38 38 SER HA H 38 4.122 4.122 4.707 -0.585 25446
6097 1 16 . 1 1 38 38 SER CA C 38 61.062 61.062 59.879 1.183 25446
6098 1 16 . 1 1 39 39 LEU N N 39 122.521 122.521 122.576 -0.055 25446
6099 1 16 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.117 0.156 25446
6100 1 16 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.309 -0.939 25446
6101 1 16 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.961 -0.702 25446
6102 1 16 . 1 1 39 39 LEU H H 39 7.675 7.675 7.704 -0.029 25446
6103 1 16 . 1 1 40 40 GLY N N 40 111.971 111.971 106.677 5.294 25446
6104 1 16 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.911 1.209 25446
6105 1 16 . 1 1 40 40 GLY H H 40 8.776 8.776 7.529 1.247 25446
6106 1 16 . 1 1 41 41 LEU N N 41 122.579 122.579 123.604 -1.025 25446
6107 1 16 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.171 -0.326 25446
6108 1 16 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.866 0.399 25446
6109 1 16 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.071 -0.492 25446
6110 1 16 . 1 1 41 41 LEU H H 41 8.551 8.551 8.540 0.011 25446
6111 1 16 . 1 1 42 42 LEU N N 42 116.126 116.126 119.315 -3.189 25446
6112 1 16 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.933 0.076 25446
6113 1 16 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.554 -0.453 25446
6114 1 16 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.722 -0.775 25446
6115 1 16 . 1 1 42 42 LEU H H 42 7.213 7.213 7.840 -0.627 25446
6116 1 16 . 1 1 43 43 LYS N N 43 119.793 119.793 119.069 0.724 25446
6117 1 16 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.060 0.222 25446
6118 1 16 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.929 -0.359 25446
6119 1 16 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.374 0.163 25446
6120 1 16 . 1 1 43 43 LYS H H 43 7.664 7.664 7.426 0.238 25446
6121 1 16 . 1 1 44 44 VAL N N 44 121.147 121.147 121.197 -0.050 25446
6122 1 16 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.001 -0.064 25446
6123 1 16 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.548 -0.730 25446
6124 1 16 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.974 -0.415 25446
6125 1 16 . 1 1 44 44 VAL H H 44 8.278 8.278 8.422 -0.144 25446
6126 1 16 . 1 1 45 45 ILE N N 45 119.222 119.222 120.269 -1.047 25446
6127 1 16 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.760 -0.355 25446
6128 1 16 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.295 1.766 25446
6129 1 16 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.227 1.012 25446
6130 1 16 . 1 1 45 45 ILE H H 45 8.127 8.127 8.145 -0.018 25446
6131 1 16 . 1 1 46 46 ALA N N 46 121.011 121.011 123.167 -2.156 25446
6132 1 16 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.174 0.058 25446
6133 1 16 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.991 -0.031 25446
6134 1 16 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.620 -0.280 25446
6135 1 16 . 1 1 46 46 ALA H H 46 7.811 7.811 7.720 0.091 25446
6136 1 16 . 1 1 47 47 TRP N N 47 121.158 121.158 121.008 0.150 25446
6137 1 16 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.433 -0.198 25446
6138 1 16 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.477 1.357 25446
6139 1 16 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.856 -1.636 25446
6140 1 16 . 1 1 47 47 TRP H H 47 8.094 8.094 8.508 -0.414 25446
6141 1 16 . 1 1 48 48 LEU N N 48 118.890 118.890 121.718 -2.828 25446
6142 1 16 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.999 0.574 25446
6143 1 16 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.616 -0.424 25446
6144 1 16 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.684 0.570 25446
6145 1 16 . 1 1 48 48 LEU H H 48 8.704 8.704 9.112 -0.408 25446
6146 1 16 . 1 1 49 49 GLU N N 49 118.917 118.917 119.436 -0.519 25446
6147 1 16 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.143 -0.097 25446
6148 1 16 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.295 0.413 25446
6149 1 16 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.401 0.215 25446
6150 1 16 . 1 1 49 49 GLU H H 49 7.808 7.808 8.056 -0.248 25446
6151 1 16 . 1 1 50 50 ASP N N 50 119.614 119.614 119.535 0.079 25446
6152 1 16 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.410 -0.170 25446
6153 1 16 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.348 0.661 25446
6154 1 16 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.883 1.494 25446
6155 1 16 . 1 1 50 50 ASP H H 50 7.677 7.677 7.480 0.197 25446
6156 1 16 . 1 1 51 51 ARG N N 51 116.918 116.918 118.115 -1.197 25446
6157 1 16 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.911 -0.186 25446
6158 1 16 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.352 -2.064 25446
6159 1 16 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.280 -0.996 25446
6160 1 16 . 1 1 51 51 ARG H H 51 8.876 8.876 7.709 1.167 25446
6161 1 16 . 1 1 52 52 PHE N N 52 112.278 112.278 114.177 -1.899 25446
6162 1 16 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.513 0.144 25446
6163 1 16 . 1 1 52 52 PHE CA C 52 57.050 57.050 57.892 -0.842 25446
6164 1 16 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.914 0.838 25446
6165 1 16 . 1 1 52 52 PHE H H 52 7.330 7.330 7.786 -0.456 25446
6166 1 16 . 1 1 53 53 GLY N N 53 109.717 109.717 109.062 0.655 25446
6167 1 16 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.432 1.214 25446
6168 1 16 . 1 1 53 53 GLY H H 53 7.411 7.411 8.129 -0.718 25446
6169 1 16 . 1 1 54 54 ILE N N 54 119.148 119.148 120.252 -1.104 25446
6170 1 16 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.169 -0.226 25446
6171 1 16 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.059 0.541 25446
6172 1 16 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.333 0.176 25446
6173 1 16 . 1 1 54 54 ILE H H 54 6.901 6.901 7.202 -0.301 25446
6174 1 16 . 1 1 55 55 ALA N N 55 129.774 129.774 129.738 0.036 25446
6175 1 16 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.240 0.162 25446
6176 1 16 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.547 -0.899 25446
6177 1 16 . 1 1 55 55 ALA H H 55 8.538 8.538 8.527 0.011 25446
6178 1 16 . 1 1 56 56 ALA N N 56 126.034 126.034 124.669 1.365 25446
6179 1 16 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.100 0.173 25446
6180 1 16 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.723 -0.111 25446
6181 1 16 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.012 0.110 25446
6182 1 16 . 1 1 56 56 ALA H H 56 8.620 8.620 8.612 0.008 25446
6183 1 16 . 1 1 57 57 ASP N N 57 115.649 115.649 113.526 2.123 25446
6184 1 16 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.357 0.119 25446
6185 1 16 . 1 1 57 57 ASP CA C 57 55.170 55.170 55.622 -0.452 25446
6186 1 16 . 1 1 57 57 ASP H H 57 8.321 8.321 8.438 -0.117 25446
6187 1 16 . 1 1 58 58 ASP N N 58 118.298 118.298 116.200 2.098 25446
6188 1 16 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.299 0.369 25446
6189 1 16 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.857 -0.055 25446
6190 1 16 . 1 1 58 58 ASP H H 58 7.971 7.971 8.330 -0.359 25446
6191 1 16 . 1 1 59 59 VAL N N 59 118.443 118.443 114.346 4.097 25446
6192 1 16 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.451 -0.242 25446
6193 1 16 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.261 0.808 25446
6194 1 16 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.004 0.326 25446
6195 1 16 . 1 1 59 59 VAL H H 59 7.700 7.700 7.482 0.218 25446
6196 1 16 . 1 1 60 60 GLU N N 60 122.777 122.777 125.091 -2.314 25446
6197 1 16 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.548 -0.265 25446
6198 1 16 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.623 0.695 25446
6199 1 16 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.011 -1.134 25446
6200 1 16 . 1 1 60 60 GLU H H 60 8.416 8.416 8.391 0.025 25446
6201 1 16 . 1 1 61 61 LEU N N 61 124.910 124.910 124.135 0.775 25446
6202 1 16 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.475 -0.118 25446
6203 1 16 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.532 1.630 25446
6204 1 16 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.568 -0.723 25446
6205 1 16 . 1 1 61 61 LEU H H 61 8.249 8.249 8.463 -0.214 25446
6206 1 16 . 1 1 62 62 SER N N 62 118.228 118.228 118.860 -0.632 25446
6207 1 16 . 1 1 62 62 SER HA H 62 4.816 4.816 4.782 0.034 25446
6208 1 16 . 1 1 62 62 SER CB C 62 63.963 63.963 64.082 -0.119 25446
6209 1 16 . 1 1 62 62 SER H H 62 8.025 8.025 8.356 -0.331 25446
6210 1 16 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.531 -0.277 25446
6211 1 16 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.121 -0.227 25446
6212 1 16 . 1 1 64 64 GLU N N 64 116.457 116.457 117.437 -0.980 25446
6213 1 16 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.085 -0.218 25446
6214 1 16 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.608 0.138 25446
6215 1 16 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.635 0.072 25446
6216 1 16 . 1 1 64 64 GLU H H 64 8.310 8.310 8.318 -0.008 25446
6217 1 16 . 1 1 65 65 HIS N N 65 114.998 114.998 119.380 -4.382 25446
6218 1 16 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.235 0.062 25446
6219 1 16 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.871 -1.506 25446
6220 1 16 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.682 -0.075 25446
6221 1 16 . 1 1 65 65 HIS H H 65 7.324 7.324 7.927 -0.603 25446
6222 1 16 . 1 1 66 66 PHE N N 66 115.965 115.965 115.065 0.900 25446
6223 1 16 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.554 0.228 25446
6224 1 16 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.209 -2.543 25446
6225 1 16 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.489 0.495 25446
6226 1 16 . 1 1 66 66 PHE H H 66 7.245 7.245 7.619 -0.374 25446
6227 1 16 . 1 1 67 67 ARG N N 67 112.179 112.179 120.042 -7.863 25446
6228 1 16 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.993 0.091 25446
6229 1 16 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.142 0.149 25446
6230 1 16 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.814 0.824 25446
6231 1 16 . 1 1 67 67 ARG H H 67 6.632 6.632 7.575 -0.943 25446
6232 1 16 . 1 1 68 68 SER N N 68 109.181 109.181 107.206 1.975 25446
6233 1 16 . 1 1 68 68 SER HA H 68 4.985 4.985 4.645 0.340 25446
6234 1 16 . 1 1 68 68 SER CA C 68 55.664 55.664 56.279 -0.615 25446
6235 1 16 . 1 1 68 68 SER CB C 68 67.608 67.608 64.535 3.073 25446
6236 1 16 . 1 1 68 68 SER H H 68 8.139 8.139 7.396 0.743 25446
6237 1 16 . 1 1 69 69 ILE N N 69 122.526 122.526 125.121 -2.595 25446
6238 1 16 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.735 -0.053 25446
6239 1 16 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.291 1.447 25446
6240 1 16 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.993 -1.005 25446
6241 1 16 . 1 1 69 69 ILE H H 69 9.770 9.770 9.028 0.742 25446
6242 1 16 . 1 1 70 70 ARG N N 70 118.671 118.671 119.129 -0.458 25446
6243 1 16 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.983 -0.015 25446
6244 1 16 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.730 0.599 25446
6245 1 16 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.782 0.518 25446
6246 1 16 . 1 1 70 70 ARG H H 70 8.860 8.860 7.684 1.176 25446
6247 1 16 . 1 1 71 71 SER N N 71 117.722 117.722 115.563 2.159 25446
6248 1 16 . 1 1 71 71 SER HA H 71 4.346 4.346 4.152 0.194 25446
6249 1 16 . 1 1 71 71 SER CB C 71 62.962 62.962 62.131 0.831 25446
6250 1 16 . 1 1 71 71 SER H H 71 8.534 8.534 7.577 0.957 25446
6251 1 16 . 1 1 72 72 ILE N N 72 127.380 127.380 122.413 4.967 25446
6252 1 16 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.625 0.300 25446
6253 1 16 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.454 2.291 25446
6254 1 16 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.573 -0.212 25446
6255 1 16 . 1 1 72 72 ILE H H 72 8.789 8.789 7.030 1.759 25446
6256 1 16 . 1 1 73 73 ASP N N 73 121.443 121.443 120.444 0.999 25446
6257 1 16 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.297 -0.285 25446
6258 1 16 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.355 1.745 25446
6259 1 16 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.494 3.186 25446
6260 1 16 . 1 1 73 73 ASP H H 73 8.699 8.699 7.712 0.987 25446
6261 1 16 . 1 1 74 74 ALA N N 74 118.799 118.799 122.004 -3.205 25446
6262 1 16 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.067 -0.028 25446
6263 1 16 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.145 0.090 25446
6264 1 16 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.235 -0.286 25446
6265 1 16 . 1 1 74 74 ALA H H 74 8.042 8.042 7.537 0.505 25446
6266 1 16 . 1 1 75 75 PHE N N 75 121.125 121.125 119.516 1.609 25446
6267 1 16 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.185 -0.140 25446
6268 1 16 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.640 -0.689 25446
6269 1 16 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.635 -0.764 25446
6270 1 16 . 1 1 75 75 PHE H H 75 8.369 8.369 7.741 0.628 25446
6271 1 16 . 1 1 76 76 VAL N N 76 120.715 120.715 119.528 1.187 25446
6272 1 16 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.463 -0.513 25446
6273 1 16 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.280 -0.451 25446
6274 1 16 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.890 -0.663 25446
6275 1 16 . 1 1 76 76 VAL H H 76 8.555 8.555 8.812 -0.257 25446
6276 1 16 . 1 1 77 77 VAL N N 77 121.286 121.286 119.395 1.891 25446
6277 1 16 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.806 -0.313 25446
6278 1 16 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.775 1.003 25446
6279 1 16 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.703 0.163 25446
6280 1 16 . 1 1 77 77 VAL H H 77 8.770 8.770 8.532 0.238 25446
6281 1 16 . 1 1 78 78 GLY N N 78 106.349 106.349 105.966 0.383 25446
6282 1 16 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.631 0.001 25446
6283 1 16 . 1 1 78 78 GLY H H 78 7.976 7.976 7.799 0.177 25446
6284 1 16 . 1 1 79 79 ALA N N 79 120.998 120.998 121.662 -0.664 25446
6285 1 16 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.369 -0.162 25446
6286 1 16 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.853 -0.057 25446
6287 1 16 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.183 -0.917 25446
6288 1 16 . 1 1 79 79 ALA H H 79 7.647 7.647 7.208 0.439 25446
6289 1 16 . 1 1 80 80 THR N N 80 107.402 107.402 110.549 -3.147 25446
6290 1 16 . 1 1 80 80 THR HA H 80 4.454 4.454 4.476 -0.022 25446
6291 1 16 . 1 1 80 80 THR CA C 80 61.337 61.337 61.661 -0.324 25446
6292 1 16 . 1 1 80 80 THR CB C 80 70.703 70.703 70.467 0.236 25446
6293 1 16 . 1 1 80 80 THR H H 80 7.469 7.469 8.182 -0.713 25446
6294 1 16 . 1 1 81 81 THR N N 81 119.746 119.746 119.492 0.254 25446
6295 1 16 . 1 1 81 81 THR HA H 81 4.668 4.668 4.900 -0.232 25446
6296 1 16 . 1 1 81 81 THR CA C 81 60.448 60.448 59.347 1.101 25446
6297 1 16 . 1 1 81 81 THR CB C 81 70.062 70.062 69.174 0.888 25446
6298 1 16 . 1 1 81 81 THR H H 81 7.684 7.684 8.514 -0.830 25446
6299 1 16 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.807 -0.108 25446
6300 1 16 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.641 0.969 25446
6301 1 16 . 1 1 82 82 PRO CB C 82 31.004 31.004 32.085 -1.081 25446
6302 1 16 . 1 1 83 83 PRO HA H 83 4.473 4.473 3.625 0.848 25446
6303 1 16 . 1 1 83 83 PRO CA C 83 62.811 62.811 61.870 0.941 25446
6304 1 16 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.552 -0.471 25446
6305 1 16 . 1 1 84 84 VAL N N 84 120.611 120.611 121.763 -1.152 25446
6306 1 16 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.305 -0.258 25446
6307 1 16 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.372 1.941 25446
6308 1 16 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.987 -2.115 25446
6309 1 16 . 1 1 84 84 VAL H H 84 8.240 8.240 7.995 0.245 25446
6310 1 16 . 1 1 85 85 GLU N N 85 125.076 125.076 126.794 -1.718 25446
6311 1 16 . 1 1 85 85 GLU H H 85 8.434 8.434 8.617 -0.182 25446
6312 1 16 . 1 1 86 86 ALA N N 86 126.280 126.280 120.215 6.065 25446
6313 1 16 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.407 0.881 25446
6314 1 16 . 1 1 86 86 ALA H H 86 8.340 8.340 7.412 0.928 25446
6315 1 16 . 1 1 87 87 LYS N N 87 121.709 121.709 119.473 2.236 25446
6316 1 16 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.850 0.354 25446
6317 1 16 . 1 1 87 87 LYS H H 87 8.334 8.334 8.334 -0.000 25446
6318 1 16 . 1 1 88 88 LEU N N 88 125.379 125.379 119.558 5.821 25446
6319 1 16 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.563 -4.563 25446
6320 1 16 . 1 1 88 88 LEU H H 88 8.435 8.435 7.641 0.794 25446
6321 1 17 . 1 1 2 2 GLN N N 2 123.771 123.771 118.989 4.782 25446
6322 1 17 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.928 0.202 25446
6323 1 17 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.030 -0.481 25446
6324 1 17 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.567 1.595 25446
6325 1 17 . 1 1 2 2 GLN H H 2 9.634 9.634 8.677 0.957 25446
6326 1 17 . 1 1 3 3 HIS N N 3 119.013 119.013 114.391 4.622 25446
6327 1 17 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.838 0.346 25446
6328 1 17 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.379 -0.376 25446
6329 1 17 . 1 1 3 3 HIS CB C 3 31.088 31.088 30.782 0.306 25446
6330 1 17 . 1 1 3 3 HIS H H 3 9.946 9.946 8.351 1.595 25446
6331 1 17 . 1 1 4 4 ALA N N 4 122.550 122.550 124.041 -1.491 25446
6332 1 17 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.098 -0.207 25446
6333 1 17 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.585 0.975 25446
6334 1 17 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.183 0.609 25446
6335 1 17 . 1 1 4 4 ALA H H 4 7.524 7.524 8.219 -0.695 25446
6336 1 17 . 1 1 5 5 SER N N 5 112.310 112.310 114.101 -1.791 25446
6337 1 17 . 1 1 5 5 SER HA H 5 4.295 4.295 4.102 0.193 25446
6338 1 17 . 1 1 5 5 SER CA C 5 62.089 62.089 62.125 -0.036 25446
6339 1 17 . 1 1 5 5 SER CB C 5 62.421 62.421 62.837 -0.416 25446
6340 1 17 . 1 1 5 5 SER H H 5 8.772 8.772 8.309 0.463 25446
6341 1 17 . 1 1 6 6 VAL N N 6 122.625 122.625 123.139 -0.514 25446
6342 1 17 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.931 0.180 25446
6343 1 17 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.231 0.477 25446
6344 1 17 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.442 1.298 25446
6345 1 17 . 1 1 6 6 VAL H H 6 7.657 7.657 7.501 0.156 25446
6346 1 17 . 1 1 7 7 ILE N N 7 121.536 121.536 121.184 0.352 25446
6347 1 17 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.671 0.555 25446
6348 1 17 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.864 -0.571 25446
6349 1 17 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.309 1.322 25446
6350 1 17 . 1 1 7 7 ILE H H 7 8.526 8.526 7.915 0.611 25446
6351 1 17 . 1 1 8 8 ALA N N 8 121.229 121.229 121.433 -0.204 25446
6352 1 17 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.010 -0.114 25446
6353 1 17 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.517 0.725 25446
6354 1 17 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.025 0.706 25446
6355 1 17 . 1 1 8 8 ALA H H 8 8.946 8.946 8.105 0.841 25446
6356 1 17 . 1 1 9 9 GLN N N 9 114.998 114.998 119.401 -4.403 25446
6357 1 17 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.059 -0.186 25446
6358 1 17 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.072 -0.113 25446
6359 1 17 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.820 -1.007 25446
6360 1 17 . 1 1 9 9 GLN H H 9 7.731 7.731 8.118 -0.387 25446
6361 1 17 . 1 1 10 10 PHE N N 10 120.075 120.075 120.725 -0.650 25446
6362 1 17 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.121 -0.043 25446
6363 1 17 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.523 -0.670 25446
6364 1 17 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.466 -0.643 25446
6365 1 17 . 1 1 10 10 PHE H H 10 7.299 7.299 8.673 -1.374 25446
6366 1 17 . 1 1 11 11 VAL N N 11 117.458 117.458 116.821 0.637 25446
6367 1 17 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.730 -0.423 25446
6368 1 17 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.730 0.714 25446
6369 1 17 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.016 -0.328 25446
6370 1 17 . 1 1 11 11 VAL H H 11 8.363 8.363 8.476 -0.113 25446
6371 1 17 . 1 1 12 12 VAL N N 12 117.722 117.722 120.817 -3.095 25446
6372 1 17 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.813 -0.066 25446
6373 1 17 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.771 -0.852 25446
6374 1 17 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.132 0.135 25446
6375 1 17 . 1 1 12 12 VAL H H 12 8.289 8.289 8.550 -0.261 25446
6376 1 17 . 1 1 13 13 GLU N N 13 117.827 117.827 118.474 -0.647 25446
6377 1 17 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.887 -0.145 25446
6378 1 17 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.052 0.141 25446
6379 1 17 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.393 0.101 25446
6380 1 17 . 1 1 13 13 GLU H H 13 7.758 7.758 7.839 -0.081 25446
6381 1 17 . 1 1 14 14 GLU N N 14 113.425 113.425 117.381 -3.956 25446
6382 1 17 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.822 -0.050 25446
6383 1 17 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.106 -1.499 25446
6384 1 17 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.333 0.166 25446
6385 1 17 . 1 1 14 14 GLU H H 14 7.604 7.604 7.347 0.257 25446
6386 1 17 . 1 1 15 15 PHE N N 15 114.097 114.097 115.730 -1.633 25446
6387 1 17 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.493 0.448 25446
6388 1 17 . 1 1 15 15 PHE CA C 15 57.993 57.993 60.337 -2.344 25446
6389 1 17 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.246 1.746 25446
6390 1 17 . 1 1 15 15 PHE H H 15 7.916 7.916 7.204 0.712 25446
6391 1 17 . 1 1 16 16 LEU N N 16 121.405 121.405 120.438 0.967 25446
6392 1 17 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.776 0.191 25446
6393 1 17 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.047 0.270 25446
6394 1 17 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.799 0.936 25446
6395 1 17 . 1 1 16 16 LEU H H 16 8.046 8.046 8.276 -0.230 25446
6396 1 17 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.506 -0.132 25446
6397 1 17 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.206 1.459 25446
6398 1 17 . 1 1 18 18 ASP N N 18 116.413 116.413 118.494 -2.081 25446
6399 1 17 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.596 -0.012 25446
6400 1 17 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.493 0.097 25446
6401 1 17 . 1 1 18 18 ASP H H 18 8.415 8.415 8.749 -0.334 25446
6402 1 17 . 1 1 19 19 VAL N N 19 122.077 122.077 119.614 2.463 25446
6403 1 17 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.110 0.003 25446
6404 1 17 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.189 0.158 25446
6405 1 17 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.943 -1.556 25446
6406 1 17 . 1 1 19 19 VAL H H 19 7.771 7.771 7.098 0.673 25446
6407 1 17 . 1 1 20 20 ALA N N 20 129.197 129.197 128.145 1.052 25446
6408 1 17 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.407 0.181 25446
6409 1 17 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.805 -0.577 25446
6410 1 17 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.117 -0.694 25446
6411 1 17 . 1 1 20 20 ALA H H 20 8.765 8.765 8.583 0.182 25446
6412 1 17 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.263 -0.189 25446
6413 1 17 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.052 1.089 25446
6414 1 17 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.948 -0.610 25446
6415 1 17 . 1 1 22 22 ALA N N 22 115.949 115.949 119.015 -3.066 25446
6416 1 17 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.207 -0.090 25446
6417 1 17 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.792 -0.009 25446
6418 1 17 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.384 0.368 25446
6419 1 17 . 1 1 22 22 ALA H H 22 8.074 8.074 8.004 0.070 25446
6420 1 17 . 1 1 23 23 ASP N N 23 115.451 115.451 117.035 -1.584 25446
6421 1 17 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.618 0.034 25446
6422 1 17 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.115 1.329 25446
6423 1 17 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.404 0.737 25446
6424 1 17 . 1 1 23 23 ASP H H 23 8.023 8.023 7.848 0.175 25446
6425 1 17 . 1 1 24 24 VAL N N 24 121.382 121.382 121.393 -0.011 25446
6426 1 17 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.116 -0.288 25446
6427 1 17 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.347 0.964 25446
6428 1 17 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.857 -0.993 25446
6429 1 17 . 1 1 24 24 VAL H H 24 7.072 7.072 7.383 -0.311 25446
6430 1 17 . 1 1 25 25 ASP N N 25 129.258 129.258 128.176 1.082 25446
6431 1 17 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.597 -0.025 25446
6432 1 17 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.449 0.021 25446
6433 1 17 . 1 1 25 25 ASP H H 25 8.499 8.499 8.897 -0.398 25446
6434 1 17 . 1 1 26 26 VAL N N 26 121.736 121.736 118.120 3.616 25446
6435 1 17 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.893 0.215 25446
6436 1 17 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.896 0.580 25446
6437 1 17 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.517 -0.300 25446
6438 1 17 . 1 1 26 26 VAL H H 26 8.566 8.566 8.251 0.315 25446
6439 1 17 . 1 1 27 27 ASP N N 27 116.233 116.233 117.960 -1.727 25446
6440 1 17 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.690 0.464 25446
6441 1 17 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.304 -0.181 25446
6442 1 17 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.567 2.025 25446
6443 1 17 . 1 1 27 27 ASP H H 27 8.638 8.638 7.885 0.753 25446
6444 1 17 . 1 1 28 28 LEU N N 28 125.046 125.046 122.698 2.348 25446
6445 1 17 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.512 -0.486 25446
6446 1 17 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.655 1.212 25446
6447 1 17 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.815 -0.407 25446
6448 1 17 . 1 1 28 28 LEU H H 28 7.389 7.389 7.638 -0.249 25446
6449 1 17 . 1 1 29 29 ASP N N 29 125.807 125.807 124.875 0.932 25446
6450 1 17 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.693 0.138 25446
6451 1 17 . 1 1 29 29 ASP H H 29 8.731 8.731 8.632 0.099 25446
6452 1 17 . 1 1 30 30 LEU N N 30 130.007 130.007 121.738 8.269 25446
6453 1 17 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.511 -0.613 25446
6454 1 17 . 1 1 30 30 LEU CA C 30 56.419 56.419 55.983 0.436 25446
6455 1 17 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.202 0.921 25446
6456 1 17 . 1 1 30 30 LEU H H 30 9.744 9.744 8.426 1.318 25446
6457 1 17 . 1 1 31 31 VAL N N 31 121.093 121.093 122.440 -1.347 25446
6458 1 17 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.612 0.614 25446
6459 1 17 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.769 -1.378 25446
6460 1 17 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.652 0.529 25446
6461 1 17 . 1 1 31 31 VAL H H 31 8.166 8.166 7.881 0.285 25446
6462 1 17 . 1 1 32 32 ASP N N 32 124.657 124.657 119.514 5.143 25446
6463 1 17 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.334 0.030 25446
6464 1 17 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.721 0.398 25446
6465 1 17 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.651 1.109 25446
6466 1 17 . 1 1 32 32 ASP H H 32 9.365 9.365 8.057 1.308 25446
6467 1 17 . 1 1 33 33 ASN N N 33 111.260 111.260 118.284 -7.024 25446
6468 1 17 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.610 0.130 25446
6469 1 17 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.658 1.154 25446
6470 1 17 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.835 1.271 25446
6471 1 17 . 1 1 33 33 ASN H H 33 7.423 7.423 8.035 -0.612 25446
6472 1 17 . 1 1 34 34 GLY N N 34 106.935 106.935 109.677 -2.742 25446
6473 1 17 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.095 -0.471 25446
6474 1 17 . 1 1 34 34 GLY H H 34 7.648 7.648 8.426 -0.778 25446
6475 1 17 . 1 1 35 35 VAL N N 35 120.307 120.307 122.467 -2.160 25446
6476 1 17 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.619 0.161 25446
6477 1 17 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.876 0.149 25446
6478 1 17 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.355 0.433 25446
6479 1 17 . 1 1 35 35 VAL H H 35 7.838 7.838 7.448 0.390 25446
6480 1 17 . 1 1 36 36 ILE N N 36 116.154 116.154 119.052 -2.898 25446
6481 1 17 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.915 -0.156 25446
6482 1 17 . 1 1 36 36 ILE CA C 36 60.576 60.576 64.158 -3.582 25446
6483 1 17 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.690 1.535 25446
6484 1 17 . 1 1 36 36 ILE H H 36 7.337 7.337 8.510 -1.173 25446
6485 1 17 . 1 1 37 37 ASP N N 37 126.730 126.730 120.446 6.284 25446
6486 1 17 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.719 1.010 25446
6487 1 17 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.750 -5.113 25446
6488 1 17 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.482 0.769 25446
6489 1 17 . 1 1 37 37 ASP H H 37 7.921 7.921 8.223 -0.302 25446
6490 1 17 . 1 1 38 38 SER N N 38 113.176 113.176 114.278 -1.102 25446
6491 1 17 . 1 1 38 38 SER HA H 38 4.122 4.122 4.518 -0.396 25446
6492 1 17 . 1 1 38 38 SER CA C 38 61.062 61.062 59.654 1.409 25446
6493 1 17 . 1 1 39 39 LEU N N 39 122.521 122.521 123.670 -1.149 25446
6494 1 17 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.171 0.102 25446
6495 1 17 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.095 -0.725 25446
6496 1 17 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.048 -0.790 25446
6497 1 17 . 1 1 39 39 LEU H H 39 7.675 7.675 7.658 0.017 25446
6498 1 17 . 1 1 40 40 GLY N N 40 111.971 111.971 106.675 5.296 25446
6499 1 17 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.966 1.154 25446
6500 1 17 . 1 1 40 40 GLY H H 40 8.776 8.776 7.654 1.122 25446
6501 1 17 . 1 1 41 41 LEU N N 41 122.579 122.579 123.463 -0.884 25446
6502 1 17 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.079 -0.234 25446
6503 1 17 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.634 0.631 25446
6504 1 17 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.920 -0.341 25446
6505 1 17 . 1 1 41 41 LEU H H 41 8.551 8.551 8.607 -0.056 25446
6506 1 17 . 1 1 42 42 LEU N N 42 116.126 116.126 119.377 -3.251 25446
6507 1 17 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.975 0.034 25446
6508 1 17 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.306 -0.205 25446
6509 1 17 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.758 -0.811 25446
6510 1 17 . 1 1 42 42 LEU H H 42 7.213 7.213 7.766 -0.553 25446
6511 1 17 . 1 1 43 43 LYS N N 43 119.793 119.793 119.385 0.408 25446
6512 1 17 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.066 0.216 25446
6513 1 17 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.983 -0.413 25446
6514 1 17 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.401 0.136 25446
6515 1 17 . 1 1 43 43 LYS H H 43 7.664 7.664 7.470 0.194 25446
6516 1 17 . 1 1 44 44 VAL N N 44 121.147 121.147 121.263 -0.116 25446
6517 1 17 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.010 -0.073 25446
6518 1 17 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.036 -0.218 25446
6519 1 17 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.906 -0.347 25446
6520 1 17 . 1 1 44 44 VAL H H 44 8.278 8.278 8.612 -0.334 25446
6521 1 17 . 1 1 45 45 ILE N N 45 119.222 119.222 120.677 -1.455 25446
6522 1 17 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.790 -0.385 25446
6523 1 17 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.429 1.632 25446
6524 1 17 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.179 1.060 25446
6525 1 17 . 1 1 45 45 ILE H H 45 8.127 8.127 8.237 -0.110 25446
6526 1 17 . 1 1 46 46 ALA N N 46 121.011 121.011 122.702 -1.691 25446
6527 1 17 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.145 0.087 25446
6528 1 17 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.060 -0.100 25446
6529 1 17 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.498 -0.158 25446
6530 1 17 . 1 1 46 46 ALA H H 46 7.811 7.811 7.823 -0.012 25446
6531 1 17 . 1 1 47 47 TRP N N 47 121.158 121.158 121.196 -0.038 25446
6532 1 17 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.430 -0.195 25446
6533 1 17 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.541 1.293 25446
6534 1 17 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.873 -1.653 25446
6535 1 17 . 1 1 47 47 TRP H H 47 8.094 8.094 8.407 -0.313 25446
6536 1 17 . 1 1 48 48 LEU N N 48 118.890 118.890 121.788 -2.898 25446
6537 1 17 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.849 0.724 25446
6538 1 17 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.475 -0.283 25446
6539 1 17 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.556 0.698 25446
6540 1 17 . 1 1 48 48 LEU H H 48 8.704 8.704 9.011 -0.307 25446
6541 1 17 . 1 1 49 49 GLU N N 49 118.917 118.917 119.059 -0.142 25446
6542 1 17 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.104 -0.058 25446
6543 1 17 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.150 0.558 25446
6544 1 17 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.444 0.172 25446
6545 1 17 . 1 1 49 49 GLU H H 49 7.808 7.808 8.001 -0.193 25446
6546 1 17 . 1 1 50 50 ASP N N 50 119.614 119.614 119.807 -0.193 25446
6547 1 17 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.398 -0.158 25446
6548 1 17 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.334 0.675 25446
6549 1 17 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.840 1.537 25446
6550 1 17 . 1 1 50 50 ASP H H 50 7.677 7.677 7.602 0.075 25446
6551 1 17 . 1 1 51 51 ARG N N 51 116.918 116.918 118.212 -1.294 25446
6552 1 17 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.864 -0.139 25446
6553 1 17 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.509 -2.221 25446
6554 1 17 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.136 -0.852 25446
6555 1 17 . 1 1 51 51 ARG H H 51 8.876 8.876 7.816 1.060 25446
6556 1 17 . 1 1 52 52 PHE N N 52 112.278 112.278 114.940 -2.662 25446
6557 1 17 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.664 -0.007 25446
6558 1 17 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.234 -1.184 25446
6559 1 17 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.808 0.944 25446
6560 1 17 . 1 1 52 52 PHE H H 52 7.330 7.330 7.594 -0.264 25446
6561 1 17 . 1 1 53 53 GLY N N 53 109.717 109.717 109.304 0.413 25446
6562 1 17 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.779 0.868 25446
6563 1 17 . 1 1 53 53 GLY H H 53 7.411 7.411 8.388 -0.977 25446
6564 1 17 . 1 1 54 54 ILE N N 54 119.148 119.148 115.047 4.101 25446
6565 1 17 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.579 -0.636 25446
6566 1 17 . 1 1 54 54 ILE CA C 54 60.600 60.600 58.528 2.072 25446
6567 1 17 . 1 1 54 54 ILE CB C 54 39.509 39.509 40.679 -1.170 25446
6568 1 17 . 1 1 54 54 ILE H H 54 6.901 6.901 7.293 -0.392 25446
6569 1 17 . 1 1 55 55 ALA N N 55 129.774 129.774 125.157 4.617 25446
6570 1 17 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.235 0.167 25446
6571 1 17 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.825 -1.177 25446
6572 1 17 . 1 1 55 55 ALA H H 55 8.538 8.538 8.366 0.172 25446
6573 1 17 . 1 1 56 56 ALA N N 56 126.034 126.034 123.524 2.510 25446
6574 1 17 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.105 0.168 25446
6575 1 17 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.419 0.193 25446
6576 1 17 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.787 0.335 25446
6577 1 17 . 1 1 56 56 ALA H H 56 8.620 8.620 8.495 0.125 25446
6578 1 17 . 1 1 57 57 ASP N N 57 115.649 115.649 115.621 0.028 25446
6579 1 17 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.441 0.035 25446
6580 1 17 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.862 0.308 25446
6581 1 17 . 1 1 57 57 ASP H H 57 8.321 8.321 8.402 -0.081 25446
6582 1 17 . 1 1 58 58 ASP N N 58 118.298 118.298 118.403 -0.105 25446
6583 1 17 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.797 -0.129 25446
6584 1 17 . 1 1 58 58 ASP CA C 58 54.802 54.802 53.160 1.642 25446
6585 1 17 . 1 1 58 58 ASP H H 58 7.971 7.971 8.082 -0.111 25446
6586 1 17 . 1 1 59 59 VAL N N 59 118.443 118.443 121.338 -2.895 25446
6587 1 17 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.839 0.370 25446
6588 1 17 . 1 1 59 59 VAL CA C 59 62.070 62.070 64.145 -2.075 25446
6589 1 17 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.456 0.874 25446
6590 1 17 . 1 1 59 59 VAL H H 59 7.700 7.700 8.354 -0.654 25446
6591 1 17 . 1 1 60 60 GLU N N 60 122.777 122.777 118.410 4.367 25446
6592 1 17 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.533 -0.250 25446
6593 1 17 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.698 0.620 25446
6594 1 17 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.581 -1.704 25446
6595 1 17 . 1 1 60 60 GLU H H 60 8.416 8.416 8.024 0.392 25446
6596 1 17 . 1 1 61 61 LEU N N 61 124.910 124.910 122.602 2.308 25446
6597 1 17 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.836 -0.479 25446
6598 1 17 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.724 0.438 25446
6599 1 17 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.717 -0.872 25446
6600 1 17 . 1 1 61 61 LEU H H 61 8.249 8.249 8.464 -0.215 25446
6601 1 17 . 1 1 62 62 SER N N 62 118.228 118.228 118.680 -0.452 25446
6602 1 17 . 1 1 62 62 SER HA H 62 4.816 4.816 4.990 -0.174 25446
6603 1 17 . 1 1 62 62 SER CB C 62 63.963 63.963 64.079 -0.116 25446
6604 1 17 . 1 1 62 62 SER H H 62 8.025 8.025 8.404 -0.379 25446
6605 1 17 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.541 -0.287 25446
6606 1 17 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.847 0.047 25446
6607 1 17 . 1 1 64 64 GLU N N 64 116.457 116.457 118.611 -2.154 25446
6608 1 17 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.107 -0.240 25446
6609 1 17 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.363 -0.617 25446
6610 1 17 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.281 -0.574 25446
6611 1 17 . 1 1 64 64 GLU H H 64 8.310 8.310 8.987 -0.677 25446
6612 1 17 . 1 1 65 65 HIS N N 65 114.998 114.998 118.689 -3.691 25446
6613 1 17 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.289 0.008 25446
6614 1 17 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.122 -0.757 25446
6615 1 17 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.776 -0.169 25446
6616 1 17 . 1 1 65 65 HIS H H 65 7.324 7.324 7.793 -0.469 25446
6617 1 17 . 1 1 66 66 PHE N N 66 115.965 115.965 114.598 1.367 25446
6618 1 17 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.521 0.261 25446
6619 1 17 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.233 -2.567 25446
6620 1 17 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.907 0.077 25446
6621 1 17 . 1 1 66 66 PHE H H 66 7.245 7.245 7.611 -0.366 25446
6622 1 17 . 1 1 67 67 ARG N N 67 112.179 112.179 117.900 -5.721 25446
6623 1 17 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.030 0.054 25446
6624 1 17 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.001 0.290 25446
6625 1 17 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.909 0.728 25446
6626 1 17 . 1 1 67 67 ARG H H 67 6.632 6.632 7.500 -0.868 25446
6627 1 17 . 1 1 68 68 SER N N 68 109.181 109.181 109.045 0.136 25446
6628 1 17 . 1 1 68 68 SER HA H 68 4.985 4.985 4.681 0.304 25446
6629 1 17 . 1 1 68 68 SER CA C 68 55.664 55.664 56.607 -0.943 25446
6630 1 17 . 1 1 68 68 SER CB C 68 67.608 67.608 66.346 1.262 25446
6631 1 17 . 1 1 68 68 SER H H 68 8.139 8.139 7.388 0.751 25446
6632 1 17 . 1 1 69 69 ILE N N 69 122.526 122.526 123.669 -1.143 25446
6633 1 17 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.765 -0.083 25446
6634 1 17 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.528 2.210 25446
6635 1 17 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.940 -0.952 25446
6636 1 17 . 1 1 69 69 ILE H H 69 9.770 9.770 8.774 0.996 25446
6637 1 17 . 1 1 70 70 ARG N N 70 118.671 118.671 118.853 -0.182 25446
6638 1 17 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.932 0.036 25446
6639 1 17 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.707 0.622 25446
6640 1 17 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.473 0.827 25446
6641 1 17 . 1 1 70 70 ARG H H 70 8.860 8.860 8.264 0.596 25446
6642 1 17 . 1 1 71 71 SER N N 71 117.722 117.722 115.219 2.503 25446
6643 1 17 . 1 1 71 71 SER HA H 71 4.346 4.346 4.183 0.163 25446
6644 1 17 . 1 1 71 71 SER CB C 71 62.962 62.962 62.760 0.202 25446
6645 1 17 . 1 1 71 71 SER H H 71 8.534 8.534 7.653 0.881 25446
6646 1 17 . 1 1 72 72 ILE N N 72 127.380 127.380 120.564 6.816 25446
6647 1 17 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.721 0.204 25446
6648 1 17 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.422 2.323 25446
6649 1 17 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.619 -0.258 25446
6650 1 17 . 1 1 72 72 ILE H H 72 8.789 8.789 7.185 1.604 25446
6651 1 17 . 1 1 73 73 ASP N N 73 121.443 121.443 120.913 0.530 25446
6652 1 17 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.366 -0.354 25446
6653 1 17 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.379 1.721 25446
6654 1 17 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.680 3.000 25446
6655 1 17 . 1 1 73 73 ASP H H 73 8.699 8.699 8.179 0.520 25446
6656 1 17 . 1 1 74 74 ALA N N 74 118.799 118.799 122.010 -3.211 25446
6657 1 17 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.121 -0.082 25446
6658 1 17 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.167 0.068 25446
6659 1 17 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.280 -0.331 25446
6660 1 17 . 1 1 74 74 ALA H H 74 8.042 8.042 8.079 -0.037 25446
6661 1 17 . 1 1 75 75 PHE N N 75 121.125 121.125 119.552 1.573 25446
6662 1 17 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.149 -0.104 25446
6663 1 17 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.696 -0.745 25446
6664 1 17 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.492 -0.621 25446
6665 1 17 . 1 1 75 75 PHE H H 75 8.369 8.369 7.787 0.582 25446
6666 1 17 . 1 1 76 76 VAL N N 76 120.715 120.715 119.484 1.231 25446
6667 1 17 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.543 -0.593 25446
6668 1 17 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.849 -0.020 25446
6669 1 17 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.351 -0.124 25446
6670 1 17 . 1 1 76 76 VAL H H 76 8.555 8.555 8.296 0.259 25446
6671 1 17 . 1 1 77 77 VAL N N 77 121.286 121.286 119.146 2.140 25446
6672 1 17 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.865 -0.372 25446
6673 1 17 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.727 1.051 25446
6674 1 17 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.794 0.072 25446
6675 1 17 . 1 1 77 77 VAL H H 77 8.770 8.770 8.355 0.415 25446
6676 1 17 . 1 1 78 78 GLY N N 78 106.349 106.349 105.378 0.971 25446
6677 1 17 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.400 0.232 25446
6678 1 17 . 1 1 78 78 GLY H H 78 7.976 7.976 7.907 0.069 25446
6679 1 17 . 1 1 79 79 ALA N N 79 120.998 120.998 121.904 -0.906 25446
6680 1 17 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.459 -0.252 25446
6681 1 17 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.436 0.360 25446
6682 1 17 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.255 -0.989 25446
6683 1 17 . 1 1 79 79 ALA H H 79 7.647 7.647 7.119 0.528 25446
6684 1 17 . 1 1 80 80 THR N N 80 107.402 107.402 115.310 -7.908 25446
6685 1 17 . 1 1 80 80 THR HA H 80 4.454 4.454 4.320 0.134 25446
6686 1 17 . 1 1 80 80 THR CA C 80 61.337 61.337 61.891 -0.554 25446
6687 1 17 . 1 1 80 80 THR CB C 80 70.703 70.703 71.114 -0.411 25446
6688 1 17 . 1 1 80 80 THR H H 80 7.469 7.469 8.089 -0.620 25446
6689 1 17 . 1 1 81 81 THR N N 81 119.746 119.746 119.177 0.569 25446
6690 1 17 . 1 1 81 81 THR HA H 81 4.668 4.668 4.354 0.314 25446
6691 1 17 . 1 1 81 81 THR CA C 81 60.448 60.448 57.754 2.694 25446
6692 1 17 . 1 1 81 81 THR CB C 81 70.062 70.062 69.693 0.369 25446
6693 1 17 . 1 1 81 81 THR H H 81 7.684 7.684 8.243 -0.559 25446
6694 1 17 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.839 -0.140 25446
6695 1 17 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.890 0.720 25446
6696 1 17 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.878 0.126 25446
6697 1 17 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.475 -0.002 25446
6698 1 17 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.916 -0.105 25446
6699 1 17 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.413 -0.332 25446
6700 1 17 . 1 1 84 84 VAL N N 84 120.611 120.611 122.793 -2.182 25446
6701 1 17 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.307 -0.260 25446
6702 1 17 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.640 -0.327 25446
6703 1 17 . 1 1 84 84 VAL CB C 84 32.872 32.872 33.189 -0.317 25446
6704 1 17 . 1 1 84 84 VAL H H 84 8.240 8.240 8.423 -0.183 25446
6705 1 17 . 1 1 85 85 GLU N N 85 125.076 125.076 125.043 0.033 25446
6706 1 17 . 1 1 85 85 GLU H H 85 8.434 8.434 8.941 -0.507 25446
6707 1 17 . 1 1 86 86 ALA N N 86 126.280 126.280 122.666 3.614 25446
6708 1 17 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.329 0.959 25446
6709 1 17 . 1 1 86 86 ALA H H 86 8.340 8.340 7.820 0.520 25446
6710 1 17 . 1 1 87 87 LYS N N 87 121.709 121.709 119.298 2.411 25446
6711 1 17 . 1 1 87 87 LYS CB C 87 33.204 33.204 30.344 2.860 25446
6712 1 17 . 1 1 87 87 LYS H H 87 8.334 8.334 8.599 -0.265 25446
6713 1 17 . 1 1 88 88 LEU N N 88 125.379 125.379 118.767 6.612 25446
6714 1 17 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.134 -4.134 25446
6715 1 17 . 1 1 88 88 LEU H H 88 8.435 8.435 8.547 -0.112 25446
6716 1 18 . 1 1 2 2 GLN N N 2 123.771 123.771 122.752 1.019 25446
6717 1 18 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.662 -0.532 25446
6718 1 18 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.089 2.460 25446
6719 1 18 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.709 -0.547 25446
6720 1 18 . 1 1 2 2 GLN H H 2 9.634 9.634 8.434 1.200 25446
6721 1 18 . 1 1 3 3 HIS N N 3 119.013 119.013 117.812 1.201 25446
6722 1 18 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.059 1.125 25446
6723 1 18 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.957 -1.954 25446
6724 1 18 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.437 1.651 25446
6725 1 18 . 1 1 3 3 HIS H H 3 9.946 9.946 9.163 0.783 25446
6726 1 18 . 1 1 4 4 ALA N N 4 122.550 122.550 121.018 1.532 25446
6727 1 18 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.017 -0.126 25446
6728 1 18 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.036 1.524 25446
6729 1 18 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.804 -0.012 25446
6730 1 18 . 1 1 4 4 ALA H H 4 7.524 7.524 8.613 -1.089 25446
6731 1 18 . 1 1 5 5 SER N N 5 112.310 112.310 113.977 -1.667 25446
6732 1 18 . 1 1 5 5 SER HA H 5 4.295 4.295 4.087 0.208 25446
6733 1 18 . 1 1 5 5 SER CA C 5 62.089 62.089 61.841 0.248 25446
6734 1 18 . 1 1 5 5 SER CB C 5 62.421 62.421 62.753 -0.332 25446
6735 1 18 . 1 1 5 5 SER H H 5 8.772 8.772 8.345 0.427 25446
6736 1 18 . 1 1 6 6 VAL N N 6 122.625 122.625 122.670 -0.045 25446
6737 1 18 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.724 0.387 25446
6738 1 18 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.029 -0.321 25446
6739 1 18 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.648 1.092 25446
6740 1 18 . 1 1 6 6 VAL H H 6 7.657 7.657 7.232 0.425 25446
6741 1 18 . 1 1 7 7 ILE N N 7 121.536 121.536 120.390 1.146 25446
6742 1 18 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.695 0.531 25446
6743 1 18 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.712 -0.419 25446
6744 1 18 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.438 1.193 25446
6745 1 18 . 1 1 7 7 ILE H H 7 8.526 8.526 7.696 0.830 25446
6746 1 18 . 1 1 8 8 ALA N N 8 121.229 121.229 121.665 -0.436 25446
6747 1 18 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.044 -0.148 25446
6748 1 18 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.581 0.661 25446
6749 1 18 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.218 0.513 25446
6750 1 18 . 1 1 8 8 ALA H H 8 8.946 8.946 8.126 0.821 25446
6751 1 18 . 1 1 9 9 GLN N N 9 114.998 114.998 119.137 -4.139 25446
6752 1 18 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.086 -0.213 25446
6753 1 18 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.154 0.805 25446
6754 1 18 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.195 -0.383 25446
6755 1 18 . 1 1 9 9 GLN H H 9 7.731 7.731 8.156 -0.425 25446
6756 1 18 . 1 1 10 10 PHE N N 10 120.075 120.075 122.037 -1.962 25446
6757 1 18 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.215 -0.137 25446
6758 1 18 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.127 -0.274 25446
6759 1 18 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.760 -0.936 25446
6760 1 18 . 1 1 10 10 PHE H H 10 7.299 7.299 8.653 -1.354 25446
6761 1 18 . 1 1 11 11 VAL N N 11 117.458 117.458 116.561 0.897 25446
6762 1 18 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.791 -0.484 25446
6763 1 18 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.741 0.703 25446
6764 1 18 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.052 0.636 25446
6765 1 18 . 1 1 11 11 VAL H H 11 8.363 8.363 8.313 0.050 25446
6766 1 18 . 1 1 12 12 VAL N N 12 117.722 117.722 120.150 -2.428 25446
6767 1 18 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.806 -0.059 25446
6768 1 18 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.065 -0.146 25446
6769 1 18 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.560 0.707 25446
6770 1 18 . 1 1 12 12 VAL H H 12 8.289 8.289 8.274 0.015 25446
6771 1 18 . 1 1 13 13 GLU N N 13 117.827 117.827 119.866 -2.039 25446
6772 1 18 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.827 -0.085 25446
6773 1 18 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.288 -0.095 25446
6774 1 18 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.211 0.283 25446
6775 1 18 . 1 1 13 13 GLU H H 13 7.758 7.758 8.034 -0.276 25446
6776 1 18 . 1 1 14 14 GLU N N 14 113.425 113.425 118.246 -4.821 25446
6777 1 18 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.647 0.125 25446
6778 1 18 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.806 -1.199 25446
6779 1 18 . 1 1 14 14 GLU CB C 14 29.499 29.499 28.875 0.624 25446
6780 1 18 . 1 1 14 14 GLU H H 14 7.604 7.604 7.355 0.249 25446
6781 1 18 . 1 1 15 15 PHE N N 15 114.097 114.097 115.562 -1.465 25446
6782 1 18 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.712 0.229 25446
6783 1 18 . 1 1 15 15 PHE CA C 15 57.993 57.993 56.251 1.742 25446
6784 1 18 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.082 2.910 25446
6785 1 18 . 1 1 15 15 PHE H H 15 7.916 7.916 7.124 0.792 25446
6786 1 18 . 1 1 16 16 LEU N N 16 121.405 121.405 122.163 -0.758 25446
6787 1 18 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.696 0.271 25446
6788 1 18 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.976 -0.659 25446
6789 1 18 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.880 2.855 25446
6790 1 18 . 1 1 16 16 LEU H H 16 8.046 8.046 7.401 0.645 25446
6791 1 18 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.494 -0.120 25446
6792 1 18 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.511 2.154 25446
6793 1 18 . 1 1 18 18 ASP N N 18 116.413 116.413 117.941 -1.528 25446
6794 1 18 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.474 0.110 25446
6795 1 18 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.242 0.347 25446
6796 1 18 . 1 1 18 18 ASP H H 18 8.415 8.415 8.478 -0.063 25446
6797 1 18 . 1 1 19 19 VAL N N 19 122.077 122.077 118.665 3.412 25446
6798 1 18 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.099 0.014 25446
6799 1 18 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.532 0.815 25446
6800 1 18 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.880 -0.493 25446
6801 1 18 . 1 1 19 19 VAL H H 19 7.771 7.771 7.302 0.469 25446
6802 1 18 . 1 1 20 20 ALA N N 20 129.197 129.197 130.084 -0.887 25446
6803 1 18 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.544 0.044 25446
6804 1 18 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.199 0.029 25446
6805 1 18 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.315 -0.892 25446
6806 1 18 . 1 1 20 20 ALA H H 20 8.765 8.765 8.449 0.316 25446
6807 1 18 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.145 -0.071 25446
6808 1 18 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.605 0.536 25446
6809 1 18 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.753 -0.415 25446
6810 1 18 . 1 1 22 22 ALA N N 22 115.949 115.949 116.615 -0.666 25446
6811 1 18 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.200 -0.083 25446
6812 1 18 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.775 0.008 25446
6813 1 18 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.493 0.259 25446
6814 1 18 . 1 1 22 22 ALA H H 22 8.074 8.074 7.896 0.178 25446
6815 1 18 . 1 1 23 23 ASP N N 23 115.451 115.451 118.079 -2.628 25446
6816 1 18 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.798 -0.146 25446
6817 1 18 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.929 0.514 25446
6818 1 18 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.961 0.179 25446
6819 1 18 . 1 1 23 23 ASP H H 23 8.023 8.023 8.384 -0.361 25446
6820 1 18 . 1 1 24 24 VAL N N 24 121.382 121.382 120.754 0.628 25446
6821 1 18 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.215 -0.387 25446
6822 1 18 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.909 1.402 25446
6823 1 18 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.830 -1.966 25446
6824 1 18 . 1 1 24 24 VAL H H 24 7.072 7.072 7.235 -0.163 25446
6825 1 18 . 1 1 25 25 ASP N N 25 129.258 129.258 128.797 0.461 25446
6826 1 18 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.647 -0.075 25446
6827 1 18 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.387 0.083 25446
6828 1 18 . 1 1 25 25 ASP H H 25 8.499 8.499 8.883 -0.384 25446
6829 1 18 . 1 1 26 26 VAL N N 26 121.736 121.736 118.916 2.820 25446
6830 1 18 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.866 0.242 25446
6831 1 18 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.905 0.571 25446
6832 1 18 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.998 -0.782 25446
6833 1 18 . 1 1 26 26 VAL H H 26 8.566 8.566 7.833 0.733 25446
6834 1 18 . 1 1 27 27 ASP N N 27 116.233 116.233 117.591 -1.358 25446
6835 1 18 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.711 0.443 25446
6836 1 18 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.582 -0.459 25446
6837 1 18 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.444 2.148 25446
6838 1 18 . 1 1 27 27 ASP H H 27 8.638 8.638 7.955 0.683 25446
6839 1 18 . 1 1 28 28 LEU N N 28 125.046 125.046 122.503 2.543 25446
6840 1 18 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.517 -0.491 25446
6841 1 18 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.781 1.086 25446
6842 1 18 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.849 -0.441 25446
6843 1 18 . 1 1 28 28 LEU H H 28 7.389 7.389 7.576 -0.187 25446
6844 1 18 . 1 1 29 29 ASP N N 29 125.807 125.807 124.983 0.824 25446
6845 1 18 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.666 0.165 25446
6846 1 18 . 1 1 29 29 ASP H H 29 8.731 8.731 8.628 0.103 25446
6847 1 18 . 1 1 30 30 LEU N N 30 130.007 130.007 122.920 7.087 25446
6848 1 18 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.509 -0.611 25446
6849 1 18 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.171 0.248 25446
6850 1 18 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.257 0.867 25446
6851 1 18 . 1 1 30 30 LEU H H 30 9.744 9.744 8.297 1.447 25446
6852 1 18 . 1 1 31 31 VAL N N 31 121.093 121.093 122.523 -1.430 25446
6853 1 18 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.579 0.647 25446
6854 1 18 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.918 -1.527 25446
6855 1 18 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.575 0.606 25446
6856 1 18 . 1 1 31 31 VAL H H 31 8.166 8.166 7.689 0.477 25446
6857 1 18 . 1 1 32 32 ASP N N 32 124.657 124.657 119.559 5.098 25446
6858 1 18 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.341 0.023 25446
6859 1 18 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.755 0.364 25446
6860 1 18 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.672 1.088 25446
6861 1 18 . 1 1 32 32 ASP H H 32 9.365 9.365 8.062 1.303 25446
6862 1 18 . 1 1 33 33 ASN N N 33 111.260 111.260 118.340 -7.080 25446
6863 1 18 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.714 0.026 25446
6864 1 18 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.756 1.056 25446
6865 1 18 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.933 1.173 25446
6866 1 18 . 1 1 33 33 ASN H H 33 7.423 7.423 8.183 -0.760 25446
6867 1 18 . 1 1 34 34 GLY N N 34 106.935 106.935 109.770 -2.835 25446
6868 1 18 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.931 -0.307 25446
6869 1 18 . 1 1 34 34 GLY H H 34 7.648 7.648 8.518 -0.870 25446
6870 1 18 . 1 1 35 35 VAL N N 35 120.307 120.307 122.828 -2.521 25446
6871 1 18 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.539 0.241 25446
6872 1 18 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.811 -0.786 25446
6873 1 18 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.389 0.400 25446
6874 1 18 . 1 1 35 35 VAL H H 35 7.838 7.838 7.413 0.425 25446
6875 1 18 . 1 1 36 36 ILE N N 36 116.154 116.154 119.560 -3.406 25446
6876 1 18 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.415 0.344 25446
6877 1 18 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.789 -3.213 25446
6878 1 18 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.452 1.773 25446
6879 1 18 . 1 1 36 36 ILE H H 36 7.337 7.337 8.668 -1.331 25446
6880 1 18 . 1 1 37 37 ASP N N 37 126.730 126.730 120.027 6.703 25446
6881 1 18 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.866 0.863 25446
6882 1 18 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.827 -5.190 25446
6883 1 18 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.344 0.907 25446
6884 1 18 . 1 1 37 37 ASP H H 37 7.921 7.921 7.873 0.048 25446
6885 1 18 . 1 1 38 38 SER N N 38 113.176 113.176 113.177 -0.001 25446
6886 1 18 . 1 1 38 38 SER HA H 38 4.122 4.122 4.504 -0.382 25446
6887 1 18 . 1 1 38 38 SER CA C 38 61.062 61.062 59.709 1.353 25446
6888 1 18 . 1 1 39 39 LEU N N 39 122.521 122.521 122.681 -0.160 25446
6889 1 18 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.082 0.191 25446
6890 1 18 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.410 -1.040 25446
6891 1 18 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.026 -0.768 25446
6892 1 18 . 1 1 39 39 LEU H H 39 7.675 7.675 7.697 -0.022 25446
6893 1 18 . 1 1 40 40 GLY N N 40 111.971 111.971 106.374 5.597 25446
6894 1 18 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.896 1.224 25446
6895 1 18 . 1 1 40 40 GLY H H 40 8.776 8.776 7.440 1.336 25446
6896 1 18 . 1 1 41 41 LEU N N 41 122.579 122.579 123.618 -1.039 25446
6897 1 18 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.077 -0.232 25446
6898 1 18 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.769 0.496 25446
6899 1 18 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.905 -0.326 25446
6900 1 18 . 1 1 41 41 LEU H H 41 8.551 8.551 8.395 0.156 25446
6901 1 18 . 1 1 42 42 LEU N N 42 116.126 116.126 119.389 -3.263 25446
6902 1 18 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.909 0.100 25446
6903 1 18 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.641 -0.540 25446
6904 1 18 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.682 -0.735 25446
6905 1 18 . 1 1 42 42 LEU H H 42 7.213 7.213 7.998 -0.785 25446
6906 1 18 . 1 1 43 43 LYS N N 43 119.793 119.793 119.278 0.515 25446
6907 1 18 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.080 0.202 25446
6908 1 18 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.908 -0.339 25446
6909 1 18 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.354 0.183 25446
6910 1 18 . 1 1 43 43 LYS H H 43 7.664 7.664 7.463 0.201 25446
6911 1 18 . 1 1 44 44 VAL N N 44 121.147 121.147 121.448 -0.301 25446
6912 1 18 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.094 -0.157 25446
6913 1 18 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.313 -0.495 25446
6914 1 18 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.710 -0.151 25446
6915 1 18 . 1 1 44 44 VAL H H 44 8.278 8.278 8.516 -0.238 25446
6916 1 18 . 1 1 45 45 ILE N N 45 119.222 119.222 120.463 -1.241 25446
6917 1 18 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.835 -0.430 25446
6918 1 18 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.757 2.304 25446
6919 1 18 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.998 2.241 25446
6920 1 18 . 1 1 45 45 ILE H H 45 8.127 8.127 8.768 -0.641 25446
6921 1 18 . 1 1 46 46 ALA N N 46 121.011 121.011 123.305 -2.294 25446
6922 1 18 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.196 0.036 25446
6923 1 18 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.974 -0.014 25446
6924 1 18 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.694 -0.354 25446
6925 1 18 . 1 1 46 46 ALA H H 46 7.811 7.811 8.095 -0.284 25446
6926 1 18 . 1 1 47 47 TRP N N 47 121.158 121.158 120.926 0.232 25446
6927 1 18 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.436 -0.201 25446
6928 1 18 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.392 1.442 25446
6929 1 18 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.811 -1.591 25446
6930 1 18 . 1 1 47 47 TRP H H 47 8.094 8.094 8.318 -0.224 25446
6931 1 18 . 1 1 48 48 LEU N N 48 118.890 118.890 121.337 -2.447 25446
6932 1 18 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.832 0.741 25446
6933 1 18 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.267 -0.075 25446
6934 1 18 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.647 0.607 25446
6935 1 18 . 1 1 48 48 LEU H H 48 8.704 8.704 8.983 -0.279 25446
6936 1 18 . 1 1 49 49 GLU N N 49 118.917 118.917 119.112 -0.195 25446
6937 1 18 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.995 0.051 25446
6938 1 18 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.706 0.002 25446
6939 1 18 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.291 0.325 25446
6940 1 18 . 1 1 49 49 GLU H H 49 7.808 7.808 8.097 -0.289 25446
6941 1 18 . 1 1 50 50 ASP N N 50 119.614 119.614 119.441 0.173 25446
6942 1 18 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.383 -0.143 25446
6943 1 18 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.499 0.509 25446
6944 1 18 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.633 1.744 25446
6945 1 18 . 1 1 50 50 ASP H H 50 7.677 7.677 7.476 0.201 25446
6946 1 18 . 1 1 51 51 ARG N N 51 116.918 116.918 117.373 -0.455 25446
6947 1 18 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.931 -0.206 25446
6948 1 18 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.192 -1.904 25446
6949 1 18 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.505 -1.221 25446
6950 1 18 . 1 1 51 51 ARG H H 51 8.876 8.876 7.099 1.777 25446
6951 1 18 . 1 1 52 52 PHE N N 52 112.278 112.278 114.865 -2.587 25446
6952 1 18 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.592 0.065 25446
6953 1 18 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.287 -1.237 25446
6954 1 18 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.518 1.234 25446
6955 1 18 . 1 1 52 52 PHE H H 52 7.330 7.330 7.784 -0.454 25446
6956 1 18 . 1 1 53 53 GLY N N 53 109.717 109.717 109.359 0.358 25446
6957 1 18 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.578 1.068 25446
6958 1 18 . 1 1 53 53 GLY H H 53 7.411 7.411 8.318 -0.907 25446
6959 1 18 . 1 1 54 54 ILE N N 54 119.148 119.148 120.159 -1.011 25446
6960 1 18 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.122 -0.179 25446
6961 1 18 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.308 0.292 25446
6962 1 18 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.276 0.233 25446
6963 1 18 . 1 1 54 54 ILE H H 54 6.901 6.901 7.192 -0.291 25446
6964 1 18 . 1 1 55 55 ALA N N 55 129.774 129.774 127.988 1.786 25446
6965 1 18 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.194 0.208 25446
6966 1 18 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.481 -0.833 25446
6967 1 18 . 1 1 55 55 ALA H H 55 8.538 8.538 8.437 0.101 25446
6968 1 18 . 1 1 56 56 ALA N N 56 126.034 126.034 126.632 -0.598 25446
6969 1 18 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.091 0.182 25446
6970 1 18 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.661 -1.049 25446
6971 1 18 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.643 0.479 25446
6972 1 18 . 1 1 56 56 ALA H H 56 8.620 8.620 8.970 -0.350 25446
6973 1 18 . 1 1 57 57 ASP N N 57 115.649 115.649 115.101 0.548 25446
6974 1 18 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.615 -0.139 25446
6975 1 18 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.261 0.909 25446
6976 1 18 . 1 1 57 57 ASP H H 57 8.321 8.321 8.408 -0.087 25446
6977 1 18 . 1 1 58 58 ASP N N 58 118.298 118.298 119.893 -1.595 25446
6978 1 18 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.440 0.228 25446
6979 1 18 . 1 1 58 58 ASP CA C 58 54.802 54.802 56.150 -1.348 25446
6980 1 18 . 1 1 58 58 ASP H H 58 7.971 7.971 7.879 0.092 25446
6981 1 18 . 1 1 59 59 VAL N N 59 118.443 118.443 118.932 -0.489 25446
6982 1 18 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.222 -0.013 25446
6983 1 18 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.716 0.354 25446
6984 1 18 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.434 -1.105 25446
6985 1 18 . 1 1 59 59 VAL H H 59 7.700 7.700 7.594 0.106 25446
6986 1 18 . 1 1 60 60 GLU N N 60 122.777 122.777 126.546 -3.769 25446
6987 1 18 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.575 -0.292 25446
6988 1 18 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.827 0.491 25446
6989 1 18 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.794 -0.917 25446
6990 1 18 . 1 1 60 60 GLU H H 60 8.416 8.416 8.438 -0.022 25446
6991 1 18 . 1 1 61 61 LEU N N 61 124.910 124.910 124.397 0.513 25446
6992 1 18 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.592 -0.235 25446
6993 1 18 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.913 1.249 25446
6994 1 18 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.556 -1.711 25446
6995 1 18 . 1 1 61 61 LEU H H 61 8.249 8.249 8.569 -0.320 25446
6996 1 18 . 1 1 62 62 SER N N 62 118.228 118.228 118.573 -0.345 25446
6997 1 18 . 1 1 62 62 SER HA H 62 4.816 4.816 4.903 -0.087 25446
6998 1 18 . 1 1 62 62 SER CB C 62 63.963 63.963 64.256 -0.293 25446
6999 1 18 . 1 1 62 62 SER H H 62 8.025 8.025 8.219 -0.194 25446
7000 1 18 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.537 -0.283 25446
7001 1 18 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.289 -0.395 25446
7002 1 18 . 1 1 64 64 GLU N N 64 116.457 116.457 118.358 -1.901 25446
7003 1 18 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.087 -0.220 25446
7004 1 18 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.983 -0.236 25446
7005 1 18 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.132 -0.425 25446
7006 1 18 . 1 1 64 64 GLU H H 64 8.310 8.310 8.315 -0.005 25446
7007 1 18 . 1 1 65 65 HIS N N 65 114.998 114.998 119.357 -4.359 25446
7008 1 18 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.209 0.088 25446
7009 1 18 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.227 -0.862 25446
7010 1 18 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.616 -0.009 25446
7011 1 18 . 1 1 65 65 HIS H H 65 7.324 7.324 7.651 -0.327 25446
7012 1 18 . 1 1 66 66 PHE N N 66 115.965 115.965 115.281 0.684 25446
7013 1 18 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.313 0.469 25446
7014 1 18 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.504 -2.838 25446
7015 1 18 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.233 0.751 25446
7016 1 18 . 1 1 66 66 PHE H H 66 7.245 7.245 7.381 -0.136 25446
7017 1 18 . 1 1 67 67 ARG N N 67 112.179 112.179 118.006 -5.827 25446
7018 1 18 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.015 0.069 25446
7019 1 18 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.221 0.070 25446
7020 1 18 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.858 0.779 25446
7021 1 18 . 1 1 67 67 ARG H H 67 6.632 6.632 7.498 -0.866 25446
7022 1 18 . 1 1 68 68 SER N N 68 109.181 109.181 110.971 -1.790 25446
7023 1 18 . 1 1 68 68 SER HA H 68 4.985 4.985 4.735 0.250 25446
7024 1 18 . 1 1 68 68 SER CA C 68 55.664 55.664 56.891 -1.226 25446
7025 1 18 . 1 1 68 68 SER CB C 68 67.608 67.608 65.966 1.642 25446
7026 1 18 . 1 1 68 68 SER H H 68 8.139 8.139 7.404 0.735 25446
7027 1 18 . 1 1 69 69 ILE N N 69 122.526 122.526 124.584 -2.058 25446
7028 1 18 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.699 -0.017 25446
7029 1 18 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.126 1.612 25446
7030 1 18 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.962 -0.973 25446
7031 1 18 . 1 1 69 69 ILE H H 69 9.770 9.770 8.966 0.804 25446
7032 1 18 . 1 1 70 70 ARG N N 70 118.671 118.671 119.720 -1.049 25446
7033 1 18 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.251 -0.283 25446
7034 1 18 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.592 0.737 25446
7035 1 18 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.711 0.589 25446
7036 1 18 . 1 1 70 70 ARG H H 70 8.860 8.860 8.591 0.269 25446
7037 1 18 . 1 1 71 71 SER N N 71 117.722 117.722 115.360 2.362 25446
7038 1 18 . 1 1 71 71 SER HA H 71 4.346 4.346 4.332 0.014 25446
7039 1 18 . 1 1 71 71 SER CB C 71 62.962 62.962 62.604 0.358 25446
7040 1 18 . 1 1 71 71 SER H H 71 8.534 8.534 7.677 0.857 25446
7041 1 18 . 1 1 72 72 ILE N N 72 127.380 127.380 122.610 4.770 25446
7042 1 18 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.915 0.010 25446
7043 1 18 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.198 1.547 25446
7044 1 18 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.304 0.057 25446
7045 1 18 . 1 1 72 72 ILE H H 72 8.789 8.789 7.252 1.537 25446
7046 1 18 . 1 1 73 73 ASP N N 73 121.443 121.443 120.189 1.254 25446
7047 1 18 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.373 -0.361 25446
7048 1 18 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.882 1.218 25446
7049 1 18 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.729 3.951 25446
7050 1 18 . 1 1 73 73 ASP H H 73 8.699 8.699 7.626 1.073 25446
7051 1 18 . 1 1 74 74 ALA N N 74 118.799 118.799 122.637 -3.838 25446
7052 1 18 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.099 -0.060 25446
7053 1 18 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.139 0.096 25446
7054 1 18 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.356 -0.407 25446
7055 1 18 . 1 1 74 74 ALA H H 74 8.042 8.042 7.665 0.377 25446
7056 1 18 . 1 1 75 75 PHE N N 75 121.125 121.125 117.913 3.212 25446
7057 1 18 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.135 -0.090 25446
7058 1 18 . 1 1 75 75 PHE CA C 75 60.951 60.951 62.003 -1.052 25446
7059 1 18 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.726 0.145 25446
7060 1 18 . 1 1 75 75 PHE H H 75 8.369 8.369 8.013 0.356 25446
7061 1 18 . 1 1 76 76 VAL N N 76 120.715 120.715 119.470 1.245 25446
7062 1 18 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.669 -0.719 25446
7063 1 18 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.055 -0.226 25446
7064 1 18 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.222 0.005 25446
7065 1 18 . 1 1 76 76 VAL H H 76 8.555 8.555 8.626 -0.071 25446
7066 1 18 . 1 1 77 77 VAL N N 77 121.286 121.286 121.018 0.268 25446
7067 1 18 . 1 1 77 77 VAL HA H 77 3.493 3.493 4.026 -0.533 25446
7068 1 18 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.343 1.435 25446
7069 1 18 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.085 0.781 25446
7070 1 18 . 1 1 77 77 VAL H H 77 8.770 8.770 8.530 0.240 25446
7071 1 18 . 1 1 78 78 GLY N N 78 106.349 106.349 107.725 -1.376 25446
7072 1 18 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.152 0.480 25446
7073 1 18 . 1 1 78 78 GLY H H 78 7.976 7.976 8.059 -0.083 25446
7074 1 18 . 1 1 79 79 ALA N N 79 120.998 120.998 123.774 -2.776 25446
7075 1 18 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.334 -0.127 25446
7076 1 18 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.860 -0.064 25446
7077 1 18 . 1 1 79 79 ALA CB C 79 19.266 19.266 19.901 -0.635 25446
7078 1 18 . 1 1 79 79 ALA H H 79 7.647 7.647 7.526 0.121 25446
7079 1 18 . 1 1 80 80 THR N N 80 107.402 107.402 108.878 -1.476 25446
7080 1 18 . 1 1 80 80 THR HA H 80 4.454 4.454 4.544 -0.090 25446
7081 1 18 . 1 1 80 80 THR CA C 80 61.337 61.337 60.386 0.951 25446
7082 1 18 . 1 1 80 80 THR CB C 80 70.703 70.703 71.061 -0.358 25446
7083 1 18 . 1 1 80 80 THR H H 80 7.469 7.469 8.232 -0.763 25446
7084 1 18 . 1 1 81 81 THR N N 81 119.746 119.746 116.715 3.031 25446
7085 1 18 . 1 1 81 81 THR HA H 81 4.668 4.668 4.739 -0.071 25446
7086 1 18 . 1 1 81 81 THR CA C 81 60.448 60.448 58.593 1.855 25446
7087 1 18 . 1 1 81 81 THR CB C 81 70.062 70.062 69.874 0.188 25446
7088 1 18 . 1 1 81 81 THR H H 81 7.684 7.684 8.348 -0.664 25446
7089 1 18 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.524 0.175 25446
7090 1 18 . 1 1 82 82 PRO CA C 82 61.610 61.610 62.023 -0.413 25446
7091 1 18 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.634 0.370 25446
7092 1 18 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.382 0.091 25446
7093 1 18 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.884 -0.073 25446
7094 1 18 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.237 -0.156 25446
7095 1 18 . 1 1 84 84 VAL N N 84 120.611 120.611 121.096 -0.485 25446
7096 1 18 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.100 -0.053 25446
7097 1 18 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.634 -0.321 25446
7098 1 18 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.429 0.443 25446
7099 1 18 . 1 1 84 84 VAL H H 84 8.240 8.240 8.167 0.073 25446
7100 1 18 . 1 1 85 85 GLU N N 85 125.076 125.076 126.566 -1.490 25446
7101 1 18 . 1 1 85 85 GLU H H 85 8.434 8.434 8.520 -0.086 25446
7102 1 18 . 1 1 86 86 ALA N N 86 126.280 126.280 124.417 1.863 25446
7103 1 18 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.254 0.034 25446
7104 1 18 . 1 1 86 86 ALA H H 86 8.340 8.340 8.382 -0.042 25446
7105 1 18 . 1 1 87 87 LYS N N 87 121.709 121.709 123.728 -2.019 25446
7106 1 18 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.862 0.342 25446
7107 1 18 . 1 1 87 87 LYS H H 87 8.334 8.334 8.493 -0.159 25446
7108 1 18 . 1 1 88 88 LEU N N 88 125.379 125.379 119.328 6.051 25446
7109 1 18 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.040 -4.040 25446
7110 1 18 . 1 1 88 88 LEU H H 88 8.435 8.435 7.884 0.551 25446
7111 1 19 . 1 1 2 2 GLN N N 2 123.771 123.771 121.194 2.577 25446
7112 1 19 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.605 -0.475 25446
7113 1 19 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.498 2.051 25446
7114 1 19 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.797 0.365 25446
7115 1 19 . 1 1 2 2 GLN H H 2 9.634 9.634 8.181 1.453 25446
7116 1 19 . 1 1 3 3 HIS N N 3 119.013 119.013 118.368 0.645 25446
7117 1 19 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.151 1.033 25446
7118 1 19 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.831 -2.828 25446
7119 1 19 . 1 1 3 3 HIS CB C 3 31.088 31.088 28.061 3.027 25446
7120 1 19 . 1 1 3 3 HIS H H 3 9.946 9.946 9.107 0.839 25446
7121 1 19 . 1 1 4 4 ALA N N 4 122.550 122.550 121.085 1.465 25446
7122 1 19 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.004 -0.113 25446
7123 1 19 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.261 1.299 25446
7124 1 19 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.833 -0.041 25446
7125 1 19 . 1 1 4 4 ALA H H 4 7.524 7.524 7.694 -0.170 25446
7126 1 19 . 1 1 5 5 SER N N 5 112.310 112.310 112.257 0.053 25446
7127 1 19 . 1 1 5 5 SER HA H 5 4.295 4.295 4.175 0.120 25446
7128 1 19 . 1 1 5 5 SER CA C 5 62.089 62.089 61.229 0.860 25446
7129 1 19 . 1 1 5 5 SER CB C 5 62.421 62.421 62.695 -0.274 25446
7130 1 19 . 1 1 5 5 SER H H 5 8.772 8.772 8.141 0.631 25446
7131 1 19 . 1 1 6 6 VAL N N 6 122.625 122.625 123.015 -0.390 25446
7132 1 19 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.832 0.279 25446
7133 1 19 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.737 -0.030 25446
7134 1 19 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.249 1.491 25446
7135 1 19 . 1 1 6 6 VAL H H 6 7.657 7.657 7.506 0.151 25446
7136 1 19 . 1 1 7 7 ILE N N 7 121.536 121.536 120.953 0.583 25446
7137 1 19 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.701 0.525 25446
7138 1 19 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.022 -0.729 25446
7139 1 19 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.285 1.346 25446
7140 1 19 . 1 1 7 7 ILE H H 7 8.526 8.526 7.577 0.949 25446
7141 1 19 . 1 1 8 8 ALA N N 8 121.229 121.229 121.351 -0.122 25446
7142 1 19 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.022 -0.126 25446
7143 1 19 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.448 0.794 25446
7144 1 19 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.036 0.695 25446
7145 1 19 . 1 1 8 8 ALA H H 8 8.946 8.946 7.754 1.192 25446
7146 1 19 . 1 1 9 9 GLN N N 9 114.998 114.998 119.434 -4.436 25446
7147 1 19 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.069 -0.196 25446
7148 1 19 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.953 0.007 25446
7149 1 19 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.902 -1.089 25446
7150 1 19 . 1 1 9 9 GLN H H 9 7.731 7.731 8.252 -0.521 25446
7151 1 19 . 1 1 10 10 PHE N N 10 120.075 120.075 121.252 -1.177 25446
7152 1 19 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.186 -0.108 25446
7153 1 19 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.575 -0.723 25446
7154 1 19 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.336 -0.513 25446
7155 1 19 . 1 1 10 10 PHE H H 10 7.299 7.299 8.966 -1.667 25446
7156 1 19 . 1 1 11 11 VAL N N 11 117.458 117.458 118.183 -0.725 25446
7157 1 19 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.696 -0.389 25446
7158 1 19 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.876 -0.432 25446
7159 1 19 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.934 -0.246 25446
7160 1 19 . 1 1 11 11 VAL H H 11 8.363 8.363 8.431 -0.068 25446
7161 1 19 . 1 1 12 12 VAL N N 12 117.722 117.722 119.944 -2.222 25446
7162 1 19 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.817 -0.070 25446
7163 1 19 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.743 0.176 25446
7164 1 19 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.566 0.701 25446
7165 1 19 . 1 1 12 12 VAL H H 12 8.289 8.289 8.688 -0.399 25446
7166 1 19 . 1 1 13 13 GLU N N 13 117.827 117.827 120.272 -2.445 25446
7167 1 19 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.807 -0.065 25446
7168 1 19 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.369 -0.176 25446
7169 1 19 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.138 0.356 25446
7170 1 19 . 1 1 13 13 GLU H H 13 7.758 7.758 8.697 -0.939 25446
7171 1 19 . 1 1 14 14 GLU N N 14 113.425 113.425 118.319 -4.894 25446
7172 1 19 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.637 0.135 25446
7173 1 19 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.714 -1.107 25446
7174 1 19 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.051 0.448 25446
7175 1 19 . 1 1 14 14 GLU H H 14 7.604 7.604 7.359 0.245 25446
7176 1 19 . 1 1 15 15 PHE N N 15 114.097 114.097 115.365 -1.268 25446
7177 1 19 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.709 0.232 25446
7178 1 19 . 1 1 15 15 PHE CA C 15 57.993 57.993 56.319 1.674 25446
7179 1 19 . 1 1 15 15 PHE CB C 15 41.992 41.992 38.953 3.039 25446
7180 1 19 . 1 1 15 15 PHE H H 15 7.916 7.916 7.133 0.783 25446
7181 1 19 . 1 1 16 16 LEU N N 16 121.405 121.405 122.274 -0.869 25446
7182 1 19 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.700 0.267 25446
7183 1 19 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.032 -0.715 25446
7184 1 19 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.864 2.871 25446
7185 1 19 . 1 1 16 16 LEU H H 16 8.046 8.046 7.429 0.617 25446
7186 1 19 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.474 -0.100 25446
7187 1 19 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.384 2.281 25446
7188 1 19 . 1 1 18 18 ASP N N 18 116.413 116.413 117.804 -1.391 25446
7189 1 19 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.523 0.061 25446
7190 1 19 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.737 -0.147 25446
7191 1 19 . 1 1 18 18 ASP H H 18 8.415 8.415 8.469 -0.054 25446
7192 1 19 . 1 1 19 19 VAL N N 19 122.077 122.077 119.204 2.873 25446
7193 1 19 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.152 -0.039 25446
7194 1 19 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.255 1.093 25446
7195 1 19 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.879 -0.492 25446
7196 1 19 . 1 1 19 19 VAL H H 19 7.771 7.771 7.394 0.377 25446
7197 1 19 . 1 1 20 20 ALA N N 20 129.197 129.197 130.626 -1.429 25446
7198 1 19 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.521 0.067 25446
7199 1 19 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.134 0.094 25446
7200 1 19 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.381 -0.958 25446
7201 1 19 . 1 1 20 20 ALA H H 20 8.765 8.765 8.361 0.404 25446
7202 1 19 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.140 -0.066 25446
7203 1 19 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.699 0.442 25446
7204 1 19 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.725 -0.387 25446
7205 1 19 . 1 1 22 22 ALA N N 22 115.949 115.949 117.417 -1.468 25446
7206 1 19 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.172 -0.055 25446
7207 1 19 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.126 -0.343 25446
7208 1 19 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.395 0.357 25446
7209 1 19 . 1 1 22 22 ALA H H 22 8.074 8.074 7.949 0.125 25446
7210 1 19 . 1 1 23 23 ASP N N 23 115.451 115.451 117.446 -1.995 25446
7211 1 19 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.775 -0.123 25446
7212 1 19 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.804 0.639 25446
7213 1 19 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.167 -0.027 25446
7214 1 19 . 1 1 23 23 ASP H H 23 8.023 8.023 8.368 -0.345 25446
7215 1 19 . 1 1 24 24 VAL N N 24 121.382 121.382 121.104 0.278 25446
7216 1 19 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.107 -0.279 25446
7217 1 19 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.204 1.107 25446
7218 1 19 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.215 -1.351 25446
7219 1 19 . 1 1 24 24 VAL H H 24 7.072 7.072 7.468 -0.396 25446
7220 1 19 . 1 1 25 25 ASP N N 25 129.258 129.258 127.918 1.340 25446
7221 1 19 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.599 -0.027 25446
7222 1 19 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.357 0.113 25446
7223 1 19 . 1 1 25 25 ASP H H 25 8.499 8.499 8.822 -0.323 25446
7224 1 19 . 1 1 26 26 VAL N N 26 121.736 121.736 120.246 1.490 25446
7225 1 19 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.836 0.272 25446
7226 1 19 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.253 1.223 25446
7227 1 19 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.418 -0.201 25446
7228 1 19 . 1 1 26 26 VAL H H 26 8.566 8.566 7.951 0.615 25446
7229 1 19 . 1 1 27 27 ASP N N 27 116.233 116.233 117.675 -1.442 25446
7230 1 19 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.634 0.520 25446
7231 1 19 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.545 -0.422 25446
7232 1 19 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.550 2.042 25446
7233 1 19 . 1 1 27 27 ASP H H 27 8.638 8.638 8.003 0.635 25446
7234 1 19 . 1 1 28 28 LEU N N 28 125.046 125.046 122.343 2.703 25446
7235 1 19 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.438 -0.412 25446
7236 1 19 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.621 1.246 25446
7237 1 19 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.481 -0.073 25446
7238 1 19 . 1 1 28 28 LEU H H 28 7.389 7.389 7.495 -0.106 25446
7239 1 19 . 1 1 29 29 ASP N N 29 125.807 125.807 125.561 0.246 25446
7240 1 19 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.726 0.105 25446
7241 1 19 . 1 1 29 29 ASP H H 29 8.731 8.731 8.582 0.149 25446
7242 1 19 . 1 1 30 30 LEU N N 30 130.007 130.007 124.776 5.231 25446
7243 1 19 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.086 -0.188 25446
7244 1 19 . 1 1 30 30 LEU CA C 30 56.419 56.419 57.038 -0.619 25446
7245 1 19 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.466 0.657 25446
7246 1 19 . 1 1 30 30 LEU H H 30 9.744 9.744 8.683 1.061 25446
7247 1 19 . 1 1 31 31 VAL N N 31 121.093 121.093 122.136 -1.043 25446
7248 1 19 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.537 0.689 25446
7249 1 19 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.870 -2.479 25446
7250 1 19 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.359 0.822 25446
7251 1 19 . 1 1 31 31 VAL H H 31 8.166 8.166 7.913 0.253 25446
7252 1 19 . 1 1 32 32 ASP N N 32 124.657 124.657 119.838 4.819 25446
7253 1 19 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.351 0.013 25446
7254 1 19 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.937 0.182 25446
7255 1 19 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.979 0.781 25446
7256 1 19 . 1 1 32 32 ASP H H 32 9.365 9.365 8.165 1.200 25446
7257 1 19 . 1 1 33 33 ASN N N 33 111.260 111.260 117.630 -6.370 25446
7258 1 19 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.565 0.175 25446
7259 1 19 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.669 1.143 25446
7260 1 19 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.820 1.286 25446
7261 1 19 . 1 1 33 33 ASN H H 33 7.423 7.423 8.091 -0.668 25446
7262 1 19 . 1 1 34 34 GLY N N 34 106.935 106.935 109.629 -2.694 25446
7263 1 19 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.035 -0.411 25446
7264 1 19 . 1 1 34 34 GLY H H 34 7.648 7.648 8.637 -0.989 25446
7265 1 19 . 1 1 35 35 VAL N N 35 120.307 120.307 122.830 -2.523 25446
7266 1 19 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.546 0.234 25446
7267 1 19 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.602 0.423 25446
7268 1 19 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.308 0.481 25446
7269 1 19 . 1 1 35 35 VAL H H 35 7.838 7.838 7.323 0.515 25446
7270 1 19 . 1 1 36 36 ILE N N 36 116.154 116.154 119.406 -3.252 25446
7271 1 19 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.864 -0.105 25446
7272 1 19 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.812 -3.236 25446
7273 1 19 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.775 1.450 25446
7274 1 19 . 1 1 36 36 ILE H H 36 7.337 7.337 8.458 -1.121 25446
7275 1 19 . 1 1 37 37 ASP N N 37 126.730 126.730 119.088 7.642 25446
7276 1 19 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.866 0.863 25446
7277 1 19 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.503 -4.866 25446
7278 1 19 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.054 1.197 25446
7279 1 19 . 1 1 37 37 ASP H H 37 7.921 7.921 8.102 -0.181 25446
7280 1 19 . 1 1 38 38 SER N N 38 113.176 113.176 114.068 -0.892 25446
7281 1 19 . 1 1 38 38 SER HA H 38 4.122 4.122 4.698 -0.576 25446
7282 1 19 . 1 1 38 38 SER CA C 38 61.062 61.062 59.297 1.765 25446
7283 1 19 . 1 1 39 39 LEU N N 39 122.521 122.521 123.602 -1.081 25446
7284 1 19 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.174 0.099 25446
7285 1 19 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.093 -0.723 25446
7286 1 19 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.055 -0.796 25446
7287 1 19 . 1 1 39 39 LEU H H 39 7.675 7.675 7.639 0.036 25446
7288 1 19 . 1 1 40 40 GLY N N 40 111.971 111.971 106.557 5.414 25446
7289 1 19 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.095 1.025 25446
7290 1 19 . 1 1 40 40 GLY H H 40 8.776 8.776 7.665 1.111 25446
7291 1 19 . 1 1 41 41 LEU N N 41 122.579 122.579 124.033 -1.454 25446
7292 1 19 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.110 -0.265 25446
7293 1 19 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.989 0.276 25446
7294 1 19 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.988 -0.409 25446
7295 1 19 . 1 1 41 41 LEU H H 41 8.551 8.551 8.613 -0.062 25446
7296 1 19 . 1 1 42 42 LEU N N 42 116.126 116.126 118.528 -2.402 25446
7297 1 19 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.896 0.113 25446
7298 1 19 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.185 -0.084 25446
7299 1 19 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.450 -0.503 25446
7300 1 19 . 1 1 42 42 LEU H H 42 7.213 7.213 7.647 -0.434 25446
7301 1 19 . 1 1 43 43 LYS N N 43 119.793 119.793 119.790 0.003 25446
7302 1 19 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.094 0.188 25446
7303 1 19 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.667 -0.097 25446
7304 1 19 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.384 0.153 25446
7305 1 19 . 1 1 43 43 LYS H H 43 7.664 7.664 7.392 0.272 25446
7306 1 19 . 1 1 44 44 VAL N N 44 121.147 121.147 120.914 0.233 25446
7307 1 19 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.151 -0.214 25446
7308 1 19 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.397 0.421 25446
7309 1 19 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.500 0.059 25446
7310 1 19 . 1 1 44 44 VAL H H 44 8.278 8.278 8.769 -0.491 25446
7311 1 19 . 1 1 45 45 ILE N N 45 119.222 119.222 120.998 -1.776 25446
7312 1 19 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.792 -0.387 25446
7313 1 19 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.504 1.557 25446
7314 1 19 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.138 1.101 25446
7315 1 19 . 1 1 45 45 ILE H H 45 8.127 8.127 8.536 -0.409 25446
7316 1 19 . 1 1 46 46 ALA N N 46 121.011 121.011 122.678 -1.667 25446
7317 1 19 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.177 0.055 25446
7318 1 19 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.096 -0.136 25446
7319 1 19 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.423 -0.083 25446
7320 1 19 . 1 1 46 46 ALA H H 46 7.811 7.811 7.864 -0.053 25446
7321 1 19 . 1 1 47 47 TRP N N 47 121.158 121.158 121.143 0.015 25446
7322 1 19 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.456 -0.221 25446
7323 1 19 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.653 1.181 25446
7324 1 19 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.981 -1.761 25446
7325 1 19 . 1 1 47 47 TRP H H 47 8.094 8.094 8.253 -0.159 25446
7326 1 19 . 1 1 48 48 LEU N N 48 118.890 118.890 121.543 -2.653 25446
7327 1 19 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.697 0.876 25446
7328 1 19 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.460 -0.268 25446
7329 1 19 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.732 0.522 25446
7330 1 19 . 1 1 48 48 LEU H H 48 8.704 8.704 9.116 -0.412 25446
7331 1 19 . 1 1 49 49 GLU N N 49 118.917 118.917 118.245 0.672 25446
7332 1 19 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.008 0.038 25446
7333 1 19 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.081 0.627 25446
7334 1 19 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.695 0.921 25446
7335 1 19 . 1 1 49 49 GLU H H 49 7.808 7.808 8.250 -0.442 25446
7336 1 19 . 1 1 50 50 ASP N N 50 119.614 119.614 120.120 -0.506 25446
7337 1 19 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.380 -0.140 25446
7338 1 19 . 1 1 50 50 ASP CA C 50 57.009 57.009 55.742 1.266 25446
7339 1 19 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.888 1.489 25446
7340 1 19 . 1 1 50 50 ASP H H 50 7.677 7.677 7.512 0.165 25446
7341 1 19 . 1 1 51 51 ARG N N 51 116.918 116.918 117.806 -0.888 25446
7342 1 19 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.804 -0.079 25446
7343 1 19 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.093 -1.805 25446
7344 1 19 . 1 1 51 51 ARG CB C 51 29.284 29.284 29.958 -0.674 25446
7345 1 19 . 1 1 51 51 ARG H H 51 8.876 8.876 7.801 1.075 25446
7346 1 19 . 1 1 52 52 PHE N N 52 112.278 112.278 113.855 -1.577 25446
7347 1 19 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.554 0.103 25446
7348 1 19 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.300 -1.250 25446
7349 1 19 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.662 1.090 25446
7350 1 19 . 1 1 52 52 PHE H H 52 7.330 7.330 7.648 -0.318 25446
7351 1 19 . 1 1 53 53 GLY N N 53 109.717 109.717 109.353 0.364 25446
7352 1 19 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.649 0.997 25446
7353 1 19 . 1 1 53 53 GLY H H 53 7.411 7.411 8.100 -0.689 25446
7354 1 19 . 1 1 54 54 ILE N N 54 119.148 119.148 120.945 -1.797 25446
7355 1 19 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.130 -0.187 25446
7356 1 19 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.514 0.086 25446
7357 1 19 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.785 0.724 25446
7358 1 19 . 1 1 54 54 ILE H H 54 6.901 6.901 7.602 -0.701 25446
7359 1 19 . 1 1 55 55 ALA N N 55 129.774 129.774 130.476 -0.702 25446
7360 1 19 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.260 0.142 25446
7361 1 19 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.357 -0.709 25446
7362 1 19 . 1 1 55 55 ALA H H 55 8.538 8.538 8.279 0.259 25446
7363 1 19 . 1 1 56 56 ALA N N 56 126.034 126.034 125.143 0.891 25446
7364 1 19 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.138 0.135 25446
7365 1 19 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.409 0.203 25446
7366 1 19 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.826 0.296 25446
7367 1 19 . 1 1 56 56 ALA H H 56 8.620 8.620 8.491 0.129 25446
7368 1 19 . 1 1 57 57 ASP N N 57 115.649 115.649 115.192 0.457 25446
7369 1 19 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.394 0.082 25446
7370 1 19 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.737 0.433 25446
7371 1 19 . 1 1 57 57 ASP H H 57 8.321 8.321 8.266 0.055 25446
7372 1 19 . 1 1 58 58 ASP N N 58 118.298 118.298 116.230 2.068 25446
7373 1 19 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.231 0.437 25446
7374 1 19 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.009 -0.207 25446
7375 1 19 . 1 1 58 58 ASP H H 58 7.971 7.971 8.492 -0.521 25446
7376 1 19 . 1 1 59 59 VAL N N 59 118.443 118.443 118.670 -0.227 25446
7377 1 19 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.205 0.004 25446
7378 1 19 . 1 1 59 59 VAL CA C 59 62.070 62.070 62.010 0.060 25446
7379 1 19 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.194 0.136 25446
7380 1 19 . 1 1 59 59 VAL H H 59 7.700 7.700 7.635 0.065 25446
7381 1 19 . 1 1 60 60 GLU N N 60 122.777 122.777 127.009 -4.232 25446
7382 1 19 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.616 -0.333 25446
7383 1 19 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.507 0.812 25446
7384 1 19 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.439 -1.562 25446
7385 1 19 . 1 1 60 60 GLU H H 60 8.416 8.416 8.472 -0.056 25446
7386 1 19 . 1 1 61 61 LEU N N 61 124.910 124.910 124.395 0.515 25446
7387 1 19 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.457 -0.100 25446
7388 1 19 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.736 1.426 25446
7389 1 19 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.391 -0.545 25446
7390 1 19 . 1 1 61 61 LEU H H 61 8.249 8.249 8.455 -0.206 25446
7391 1 19 . 1 1 62 62 SER N N 62 118.228 118.228 117.874 0.354 25446
7392 1 19 . 1 1 62 62 SER HA H 62 4.816 4.816 4.867 -0.051 25446
7393 1 19 . 1 1 62 62 SER CB C 62 63.963 63.963 64.481 -0.518 25446
7394 1 19 . 1 1 62 62 SER H H 62 8.025 8.025 8.362 -0.337 25446
7395 1 19 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.645 -0.391 25446
7396 1 19 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.326 -0.432 25446
7397 1 19 . 1 1 64 64 GLU N N 64 116.457 116.457 118.044 -1.587 25446
7398 1 19 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.160 -0.293 25446
7399 1 19 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.185 -0.439 25446
7400 1 19 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.970 -0.263 25446
7401 1 19 . 1 1 64 64 GLU H H 64 8.310 8.310 9.044 -0.734 25446
7402 1 19 . 1 1 65 65 HIS N N 65 114.998 114.998 119.882 -4.884 25446
7403 1 19 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.279 0.018 25446
7404 1 19 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.329 -0.964 25446
7405 1 19 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.734 -0.127 25446
7406 1 19 . 1 1 65 65 HIS H H 65 7.324 7.324 7.721 -0.397 25446
7407 1 19 . 1 1 66 66 PHE N N 66 115.965 115.965 116.277 -0.312 25446
7408 1 19 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.539 0.243 25446
7409 1 19 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.372 -2.706 25446
7410 1 19 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.149 0.835 25446
7411 1 19 . 1 1 66 66 PHE H H 66 7.245 7.245 7.625 -0.380 25446
7412 1 19 . 1 1 67 67 ARG N N 67 112.179 112.179 119.923 -7.744 25446
7413 1 19 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.035 0.049 25446
7414 1 19 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.241 0.050 25446
7415 1 19 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.761 0.876 25446
7416 1 19 . 1 1 67 67 ARG H H 67 6.632 6.632 7.568 -0.936 25446
7417 1 19 . 1 1 68 68 SER N N 68 109.181 109.181 107.957 1.224 25446
7418 1 19 . 1 1 68 68 SER HA H 68 4.985 4.985 4.724 0.261 25446
7419 1 19 . 1 1 68 68 SER CA C 68 55.664 55.664 56.760 -1.096 25446
7420 1 19 . 1 1 68 68 SER CB C 68 67.608 67.608 65.972 1.636 25446
7421 1 19 . 1 1 68 68 SER H H 68 8.139 8.139 7.292 0.847 25446
7422 1 19 . 1 1 69 69 ILE N N 69 122.526 122.526 117.534 4.992 25446
7423 1 19 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.829 -0.147 25446
7424 1 19 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.136 1.602 25446
7425 1 19 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.533 -0.545 25446
7426 1 19 . 1 1 69 69 ILE H H 69 9.770 9.770 8.923 0.847 25446
7427 1 19 . 1 1 70 70 ARG N N 70 118.671 118.671 120.006 -1.335 25446
7428 1 19 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.934 0.034 25446
7429 1 19 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.560 0.768 25446
7430 1 19 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.519 0.781 25446
7431 1 19 . 1 1 70 70 ARG H H 70 8.860 8.860 8.039 0.821 25446
7432 1 19 . 1 1 71 71 SER N N 71 117.722 117.722 114.889 2.833 25446
7433 1 19 . 1 1 71 71 SER HA H 71 4.346 4.346 4.136 0.210 25446
7434 1 19 . 1 1 71 71 SER CB C 71 62.962 62.962 62.691 0.271 25446
7435 1 19 . 1 1 71 71 SER H H 71 8.534 8.534 7.618 0.916 25446
7436 1 19 . 1 1 72 72 ILE N N 72 127.380 127.380 120.534 6.846 25446
7437 1 19 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.764 0.161 25446
7438 1 19 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.342 2.403 25446
7439 1 19 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.716 -0.355 25446
7440 1 19 . 1 1 72 72 ILE H H 72 8.789 8.789 7.202 1.587 25446
7441 1 19 . 1 1 73 73 ASP N N 73 121.443 121.443 120.573 0.870 25446
7442 1 19 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.299 -0.287 25446
7443 1 19 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.327 1.773 25446
7444 1 19 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.526 3.154 25446
7445 1 19 . 1 1 73 73 ASP H H 73 8.699 8.699 7.762 0.937 25446
7446 1 19 . 1 1 74 74 ALA N N 74 118.799 118.799 122.010 -3.211 25446
7447 1 19 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.078 -0.039 25446
7448 1 19 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.167 0.068 25446
7449 1 19 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.247 -0.298 25446
7450 1 19 . 1 1 74 74 ALA H H 74 8.042 8.042 7.524 0.518 25446
7451 1 19 . 1 1 75 75 PHE N N 75 121.125 121.125 119.596 1.529 25446
7452 1 19 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.141 -0.096 25446
7453 1 19 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.562 -0.611 25446
7454 1 19 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.537 -0.666 25446
7455 1 19 . 1 1 75 75 PHE H H 75 8.369 8.369 7.693 0.676 25446
7456 1 19 . 1 1 76 76 VAL N N 76 120.715 120.715 119.062 1.653 25446
7457 1 19 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.542 -0.592 25446
7458 1 19 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.713 0.116 25446
7459 1 19 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.172 0.055 25446
7460 1 19 . 1 1 76 76 VAL H H 76 8.555 8.555 8.358 0.197 25446
7461 1 19 . 1 1 77 77 VAL N N 77 121.286 121.286 119.075 2.211 25446
7462 1 19 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.833 -0.340 25446
7463 1 19 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.507 1.271 25446
7464 1 19 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.623 0.243 25446
7465 1 19 . 1 1 77 77 VAL H H 77 8.770 8.770 8.525 0.245 25446
7466 1 19 . 1 1 78 78 GLY N N 78 106.349 106.349 105.242 1.107 25446
7467 1 19 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.330 0.302 25446
7468 1 19 . 1 1 78 78 GLY H H 78 7.976 7.976 7.750 0.226 25446
7469 1 19 . 1 1 79 79 ALA N N 79 120.998 120.998 122.039 -1.041 25446
7470 1 19 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.469 -0.262 25446
7471 1 19 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.414 0.382 25446
7472 1 19 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.338 -1.073 25446
7473 1 19 . 1 1 79 79 ALA H H 79 7.647 7.647 7.178 0.469 25446
7474 1 19 . 1 1 80 80 THR N N 80 107.402 107.402 115.105 -7.703 25446
7475 1 19 . 1 1 80 80 THR HA H 80 4.454 4.454 4.347 0.107 25446
7476 1 19 . 1 1 80 80 THR CA C 80 61.337 61.337 61.701 -0.364 25446
7477 1 19 . 1 1 80 80 THR CB C 80 70.703 70.703 70.835 -0.132 25446
7478 1 19 . 1 1 80 80 THR H H 80 7.469 7.469 8.186 -0.717 25446
7479 1 19 . 1 1 81 81 THR N N 81 119.746 119.746 120.686 -0.940 25446
7480 1 19 . 1 1 81 81 THR HA H 81 4.668 4.668 4.844 -0.176 25446
7481 1 19 . 1 1 81 81 THR CA C 81 60.448 60.448 58.032 2.416 25446
7482 1 19 . 1 1 81 81 THR CB C 81 70.062 70.062 69.165 0.897 25446
7483 1 19 . 1 1 81 81 THR H H 81 7.684 7.684 8.282 -0.598 25446
7484 1 19 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.460 0.239 25446
7485 1 19 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.900 -0.290 25446
7486 1 19 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.534 0.470 25446
7487 1 19 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.440 0.033 25446
7488 1 19 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.956 -0.145 25446
7489 1 19 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.224 -0.142 25446
7490 1 19 . 1 1 84 84 VAL N N 84 120.611 120.611 121.293 -0.682 25446
7491 1 19 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.142 -0.095 25446
7492 1 19 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.903 -0.590 25446
7493 1 19 . 1 1 84 84 VAL CB C 84 32.872 32.872 31.923 0.949 25446
7494 1 19 . 1 1 84 84 VAL H H 84 8.240 8.240 8.488 -0.248 25446
7495 1 19 . 1 1 85 85 GLU N N 85 125.076 125.076 127.777 -2.701 25446
7496 1 19 . 1 1 85 85 GLU H H 85 8.434 8.434 8.609 -0.175 25446
7497 1 19 . 1 1 86 86 ALA N N 86 126.280 126.280 124.166 2.114 25446
7498 1 19 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.318 -0.030 25446
7499 1 19 . 1 1 86 86 ALA H H 86 8.340 8.340 8.514 -0.174 25446
7500 1 19 . 1 1 87 87 LYS N N 87 121.709 121.709 122.878 -1.169 25446
7501 1 19 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.602 0.602 25446
7502 1 19 . 1 1 87 87 LYS H H 87 8.334 8.334 8.491 -0.157 25446
7503 1 19 . 1 1 88 88 LEU N N 88 125.379 125.379 119.309 6.070 25446
7504 1 19 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.480 -4.480 25446
7505 1 19 . 1 1 88 88 LEU H H 88 8.435 8.435 7.634 0.801 25446
7506 1 20 . 1 1 2 2 GLN N N 2 123.771 123.771 124.094 -0.323 25446
7507 1 20 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.929 0.201 25446
7508 1 20 . 1 1 2 2 GLN CA C 2 57.549 57.549 57.516 0.033 25446
7509 1 20 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.136 1.026 25446
7510 1 20 . 1 1 2 2 GLN H H 2 9.634 9.634 8.645 0.989 25446
7511 1 20 . 1 1 3 3 HIS N N 3 119.013 119.013 112.323 6.690 25446
7512 1 20 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.609 0.575 25446
7513 1 20 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.828 -0.825 25446
7514 1 20 . 1 1 3 3 HIS CB C 3 31.088 31.088 30.973 0.115 25446
7515 1 20 . 1 1 3 3 HIS H H 3 9.946 9.946 8.219 1.727 25446
7516 1 20 . 1 1 4 4 ALA N N 4 122.550 122.550 123.690 -1.140 25446
7517 1 20 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.088 -0.197 25446
7518 1 20 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.375 1.185 25446
7519 1 20 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.622 0.170 25446
7520 1 20 . 1 1 4 4 ALA H H 4 7.524 7.524 8.520 -0.996 25446
7521 1 20 . 1 1 5 5 SER N N 5 112.310 112.310 113.244 -0.934 25446
7522 1 20 . 1 1 5 5 SER HA H 5 4.295 4.295 4.146 0.149 25446
7523 1 20 . 1 1 5 5 SER CA C 5 62.089 62.089 61.404 0.685 25446
7524 1 20 . 1 1 5 5 SER CB C 5 62.421 62.421 62.611 -0.190 25446
7525 1 20 . 1 1 5 5 SER H H 5 8.772 8.772 8.326 0.446 25446
7526 1 20 . 1 1 6 6 VAL N N 6 122.625 122.625 123.013 -0.388 25446
7527 1 20 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.802 0.309 25446
7528 1 20 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.969 -0.261 25446
7529 1 20 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.783 0.957 25446
7530 1 20 . 1 1 6 6 VAL H H 6 7.657 7.657 7.315 0.342 25446
7531 1 20 . 1 1 7 7 ILE N N 7 121.536 121.536 120.975 0.561 25446
7532 1 20 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.647 0.579 25446
7533 1 20 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.961 -0.668 25446
7534 1 20 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.428 1.203 25446
7535 1 20 . 1 1 7 7 ILE H H 7 8.526 8.526 7.794 0.732 25446
7536 1 20 . 1 1 8 8 ALA N N 8 121.229 121.229 121.472 -0.243 25446
7537 1 20 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.017 -0.121 25446
7538 1 20 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.529 0.713 25446
7539 1 20 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.022 0.709 25446
7540 1 20 . 1 1 8 8 ALA H H 8 8.946 8.946 8.582 0.364 25446
7541 1 20 . 1 1 9 9 GLN N N 9 114.998 114.998 119.260 -4.262 25446
7542 1 20 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.045 -0.172 25446
7543 1 20 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.848 0.111 25446
7544 1 20 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.846 -1.033 25446
7545 1 20 . 1 1 9 9 GLN H H 9 7.731 7.731 8.106 -0.375 25446
7546 1 20 . 1 1 10 10 PHE N N 10 120.075 120.075 121.812 -1.737 25446
7547 1 20 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.215 -0.137 25446
7548 1 20 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.731 -0.878 25446
7549 1 20 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.373 -0.550 25446
7550 1 20 . 1 1 10 10 PHE H H 10 7.299 7.299 8.892 -1.593 25446
7551 1 20 . 1 1 11 11 VAL N N 11 117.458 117.458 119.235 -1.777 25446
7552 1 20 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.825 -0.518 25446
7553 1 20 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.722 0.722 25446
7554 1 20 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.298 -0.610 25446
7555 1 20 . 1 1 11 11 VAL H H 11 8.363 8.363 8.520 -0.157 25446
7556 1 20 . 1 1 12 12 VAL N N 12 117.722 117.722 119.423 -1.701 25446
7557 1 20 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.629 1.118 25446
7558 1 20 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.334 -0.415 25446
7559 1 20 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.258 0.010 25446
7560 1 20 . 1 1 12 12 VAL H H 12 8.289 8.289 8.344 -0.055 25446
7561 1 20 . 1 1 13 13 GLU N N 13 117.827 117.827 119.633 -1.806 25446
7562 1 20 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.765 -0.023 25446
7563 1 20 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.332 -0.139 25446
7564 1 20 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.141 0.353 25446
7565 1 20 . 1 1 13 13 GLU H H 13 7.758 7.758 8.195 -0.437 25446
7566 1 20 . 1 1 14 14 GLU N N 14 113.425 113.425 119.585 -6.160 25446
7567 1 20 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.093 -0.321 25446
7568 1 20 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.371 -1.764 25446
7569 1 20 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.263 -0.764 25446
7570 1 20 . 1 1 14 14 GLU H H 14 7.604 7.604 7.644 -0.040 25446
7571 1 20 . 1 1 15 15 PHE N N 15 114.097 114.097 114.504 -0.407 25446
7572 1 20 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.774 0.167 25446
7573 1 20 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.355 2.638 25446
7574 1 20 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.193 2.799 25446
7575 1 20 . 1 1 15 15 PHE H H 15 7.916 7.916 7.402 0.514 25446
7576 1 20 . 1 1 16 16 LEU N N 16 121.405 121.405 121.433 -0.028 25446
7577 1 20 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.404 0.563 25446
7578 1 20 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.967 -0.650 25446
7579 1 20 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.558 3.177 25446
7580 1 20 . 1 1 16 16 LEU H H 16 8.046 8.046 7.329 0.717 25446
7581 1 20 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.461 -0.087 25446
7582 1 20 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.356 2.309 25446
7583 1 20 . 1 1 18 18 ASP N N 18 116.413 116.413 118.333 -1.920 25446
7584 1 20 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.566 0.018 25446
7585 1 20 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.508 0.082 25446
7586 1 20 . 1 1 18 18 ASP H H 18 8.415 8.415 8.446 -0.031 25446
7587 1 20 . 1 1 19 19 VAL N N 19 122.077 122.077 119.046 3.031 25446
7588 1 20 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.080 0.033 25446
7589 1 20 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.723 0.624 25446
7590 1 20 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.037 -0.650 25446
7591 1 20 . 1 1 19 19 VAL H H 19 7.771 7.771 7.340 0.431 25446
7592 1 20 . 1 1 20 20 ALA N N 20 129.197 129.197 129.796 -0.599 25446
7593 1 20 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.497 0.091 25446
7594 1 20 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.261 -0.033 25446
7595 1 20 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.285 -0.862 25446
7596 1 20 . 1 1 20 20 ALA H H 20 8.765 8.765 8.271 0.494 25446
7597 1 20 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.073 0.001 25446
7598 1 20 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.612 0.529 25446
7599 1 20 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.666 -0.328 25446
7600 1 20 . 1 1 22 22 ALA N N 22 115.949 115.949 117.594 -1.645 25446
7601 1 20 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.168 -0.051 25446
7602 1 20 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.098 -0.315 25446
7603 1 20 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.442 0.310 25446
7604 1 20 . 1 1 22 22 ALA H H 22 8.074 8.074 7.917 0.157 25446
7605 1 20 . 1 1 23 23 ASP N N 23 115.451 115.451 117.024 -1.573 25446
7606 1 20 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.836 -0.184 25446
7607 1 20 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.028 0.416 25446
7608 1 20 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.605 -0.466 25446
7609 1 20 . 1 1 23 23 ASP H H 23 8.023 8.023 8.342 -0.319 25446
7610 1 20 . 1 1 24 24 VAL N N 24 121.382 121.382 120.723 0.659 25446
7611 1 20 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.088 -0.260 25446
7612 1 20 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.614 0.697 25446
7613 1 20 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.162 -1.298 25446
7614 1 20 . 1 1 24 24 VAL H H 24 7.072 7.072 7.414 -0.342 25446
7615 1 20 . 1 1 25 25 ASP N N 25 129.258 129.258 126.700 2.558 25446
7616 1 20 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.584 -0.012 25446
7617 1 20 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.973 0.497 25446
7618 1 20 . 1 1 25 25 ASP H H 25 8.499 8.499 8.761 -0.262 25446
7619 1 20 . 1 1 26 26 VAL N N 26 121.736 121.736 124.702 -2.966 25446
7620 1 20 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.911 0.197 25446
7621 1 20 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.614 0.862 25446
7622 1 20 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.829 -0.612 25446
7623 1 20 . 1 1 26 26 VAL H H 26 8.566 8.566 8.124 0.442 25446
7624 1 20 . 1 1 27 27 ASP N N 27 116.233 116.233 118.878 -2.645 25446
7625 1 20 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.712 0.442 25446
7626 1 20 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.138 -0.015 25446
7627 1 20 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.709 1.883 25446
7628 1 20 . 1 1 27 27 ASP H H 27 8.638 8.638 7.890 0.748 25446
7629 1 20 . 1 1 28 28 LEU N N 28 125.046 125.046 122.906 2.140 25446
7630 1 20 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.424 -0.398 25446
7631 1 20 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.512 1.355 25446
7632 1 20 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.708 -0.300 25446
7633 1 20 . 1 1 28 28 LEU H H 28 7.389 7.389 7.571 -0.182 25446
7634 1 20 . 1 1 29 29 ASP N N 29 125.807 125.807 125.050 0.757 25446
7635 1 20 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.704 0.127 25446
7636 1 20 . 1 1 29 29 ASP H H 29 8.731 8.731 8.517 0.214 25446
7637 1 20 . 1 1 30 30 LEU N N 30 130.007 130.007 123.478 6.529 25446
7638 1 20 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.060 -0.162 25446
7639 1 20 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.964 -0.545 25446
7640 1 20 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.347 0.776 25446
7641 1 20 . 1 1 30 30 LEU H H 30 9.744 9.744 8.570 1.174 25446
7642 1 20 . 1 1 31 31 VAL N N 31 121.093 121.093 122.109 -1.016 25446
7643 1 20 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.511 0.715 25446
7644 1 20 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.594 -2.203 25446
7645 1 20 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.433 0.748 25446
7646 1 20 . 1 1 31 31 VAL H H 31 8.166 8.166 7.900 0.266 25446
7647 1 20 . 1 1 32 32 ASP N N 32 124.657 124.657 119.419 5.238 25446
7648 1 20 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.357 0.007 25446
7649 1 20 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.924 0.195 25446
7650 1 20 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.992 0.768 25446
7651 1 20 . 1 1 32 32 ASP H H 32 9.365 9.365 8.033 1.332 25446
7652 1 20 . 1 1 33 33 ASN N N 33 111.260 111.260 117.724 -6.464 25446
7653 1 20 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.490 0.250 25446
7654 1 20 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.778 1.034 25446
7655 1 20 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.559 1.547 25446
7656 1 20 . 1 1 33 33 ASN H H 33 7.423 7.423 7.950 -0.527 25446
7657 1 20 . 1 1 34 34 GLY N N 34 106.935 106.935 109.685 -2.750 25446
7658 1 20 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.144 -0.520 25446
7659 1 20 . 1 1 34 34 GLY H H 34 7.648 7.648 8.593 -0.945 25446
7660 1 20 . 1 1 35 35 VAL N N 35 120.307 120.307 121.559 -1.252 25446
7661 1 20 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.624 0.156 25446
7662 1 20 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.917 0.108 25446
7663 1 20 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.442 0.347 25446
7664 1 20 . 1 1 35 35 VAL H H 35 7.838 7.838 7.397 0.441 25446
7665 1 20 . 1 1 36 36 ILE N N 36 116.154 116.154 119.252 -3.098 25446
7666 1 20 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.792 -0.033 25446
7667 1 20 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.430 -2.854 25446
7668 1 20 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.502 1.723 25446
7669 1 20 . 1 1 36 36 ILE H H 36 7.337 7.337 8.638 -1.301 25446
7670 1 20 . 1 1 37 37 ASP N N 37 126.730 126.730 120.461 6.269 25446
7671 1 20 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.940 0.789 25446
7672 1 20 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.655 -5.018 25446
7673 1 20 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.120 1.131 25446
7674 1 20 . 1 1 37 37 ASP H H 37 7.921 7.921 7.993 -0.072 25446
7675 1 20 . 1 1 38 38 SER N N 38 113.176 113.176 114.308 -1.132 25446
7676 1 20 . 1 1 38 38 SER HA H 38 4.122 4.122 4.525 -0.403 25446
7677 1 20 . 1 1 38 38 SER CA C 38 61.062 61.062 59.591 1.471 25446
7678 1 20 . 1 1 39 39 LEU N N 39 122.521 122.521 123.866 -1.345 25446
7679 1 20 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.149 0.124 25446
7680 1 20 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.018 -0.648 25446
7681 1 20 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.986 -0.727 25446
7682 1 20 . 1 1 39 39 LEU H H 39 7.675 7.675 7.632 0.043 25446
7683 1 20 . 1 1 40 40 GLY N N 40 111.971 111.971 106.567 5.404 25446
7684 1 20 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.944 1.176 25446
7685 1 20 . 1 1 40 40 GLY H H 40 8.776 8.776 7.586 1.190 25446
7686 1 20 . 1 1 41 41 LEU N N 41 122.579 122.579 123.803 -1.224 25446
7687 1 20 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.096 -0.251 25446
7688 1 20 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.969 0.296 25446
7689 1 20 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.087 -0.508 25446
7690 1 20 . 1 1 41 41 LEU H H 41 8.551 8.551 8.692 -0.141 25446
7691 1 20 . 1 1 42 42 LEU N N 42 116.126 116.126 119.467 -3.341 25446
7692 1 20 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.946 0.063 25446
7693 1 20 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.502 -0.401 25446
7694 1 20 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.744 -0.797 25446
7695 1 20 . 1 1 42 42 LEU H H 42 7.213 7.213 7.835 -0.622 25446
7696 1 20 . 1 1 43 43 LYS N N 43 119.793 119.793 119.340 0.453 25446
7697 1 20 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.068 0.214 25446
7698 1 20 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.037 -0.467 25446
7699 1 20 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.464 0.073 25446
7700 1 20 . 1 1 43 43 LYS H H 43 7.664 7.664 7.449 0.215 25446
7701 1 20 . 1 1 44 44 VAL N N 44 121.147 121.147 121.307 -0.160 25446
7702 1 20 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.998 -0.061 25446
7703 1 20 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.166 -0.348 25446
7704 1 20 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.998 -0.439 25446
7705 1 20 . 1 1 44 44 VAL H H 44 8.278 8.278 8.591 -0.313 25446
7706 1 20 . 1 1 45 45 ILE N N 45 119.222 119.222 120.522 -1.300 25446
7707 1 20 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.808 -0.403 25446
7708 1 20 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.218 1.843 25446
7709 1 20 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.178 1.061 25446
7710 1 20 . 1 1 45 45 ILE H H 45 8.127 8.127 8.673 -0.546 25446
7711 1 20 . 1 1 46 46 ALA N N 46 121.011 121.011 123.264 -2.253 25446
7712 1 20 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.202 0.030 25446
7713 1 20 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.023 -0.063 25446
7714 1 20 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.645 -0.305 25446
7715 1 20 . 1 1 46 46 ALA H H 46 7.811 7.811 8.013 -0.202 25446
7716 1 20 . 1 1 47 47 TRP N N 47 121.158 121.158 121.044 0.114 25446
7717 1 20 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.440 -0.205 25446
7718 1 20 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.425 1.409 25446
7719 1 20 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.956 -1.736 25446
7720 1 20 . 1 1 47 47 TRP H H 47 8.094 8.094 8.473 -0.379 25446
7721 1 20 . 1 1 48 48 LEU N N 48 118.890 118.890 121.993 -3.103 25446
7722 1 20 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.768 0.805 25446
7723 1 20 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.614 -0.422 25446
7724 1 20 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.703 0.551 25446
7725 1 20 . 1 1 48 48 LEU H H 48 8.704 8.704 9.170 -0.466 25446
7726 1 20 . 1 1 49 49 GLU N N 49 118.917 118.917 119.430 -0.513 25446
7727 1 20 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.113 -0.067 25446
7728 1 20 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.419 0.289 25446
7729 1 20 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.185 0.431 25446
7730 1 20 . 1 1 49 49 GLU H H 49 7.808 7.808 8.110 -0.302 25446
7731 1 20 . 1 1 50 50 ASP N N 50 119.614 119.614 119.624 -0.010 25446
7732 1 20 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.394 -0.154 25446
7733 1 20 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.204 0.805 25446
7734 1 20 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.856 1.521 25446
7735 1 20 . 1 1 50 50 ASP H H 50 7.677 7.677 7.450 0.227 25446
7736 1 20 . 1 1 51 51 ARG N N 51 116.918 116.918 118.212 -1.294 25446
7737 1 20 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.845 -0.120 25446
7738 1 20 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.435 -2.147 25446
7739 1 20 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.116 -0.832 25446
7740 1 20 . 1 1 51 51 ARG H H 51 8.876 8.876 7.751 1.125 25446
7741 1 20 . 1 1 52 52 PHE N N 52 112.278 112.278 114.101 -1.823 25446
7742 1 20 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.528 0.129 25446
7743 1 20 . 1 1 52 52 PHE CA C 52 57.050 57.050 57.975 -0.925 25446
7744 1 20 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.623 1.129 25446
7745 1 20 . 1 1 52 52 PHE H H 52 7.330 7.330 7.783 -0.453 25446
7746 1 20 . 1 1 53 53 GLY N N 53 109.717 109.717 109.466 0.251 25446
7747 1 20 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.559 1.087 25446
7748 1 20 . 1 1 53 53 GLY H H 53 7.411 7.411 8.169 -0.758 25446
7749 1 20 . 1 1 54 54 ILE N N 54 119.148 119.148 120.990 -1.842 25446
7750 1 20 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.181 -0.238 25446
7751 1 20 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.041 0.559 25446
7752 1 20 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.436 0.073 25446
7753 1 20 . 1 1 54 54 ILE H H 54 6.901 6.901 7.415 -0.514 25446
7754 1 20 . 1 1 55 55 ALA N N 55 129.774 129.774 130.012 -0.238 25446
7755 1 20 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.220 0.182 25446
7756 1 20 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.605 -0.957 25446
7757 1 20 . 1 1 55 55 ALA H H 55 8.538 8.538 8.362 0.176 25446
7758 1 20 . 1 1 56 56 ALA N N 56 126.034 126.034 123.404 2.630 25446
7759 1 20 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.125 0.148 25446
7760 1 20 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.524 0.088 25446
7761 1 20 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.886 0.236 25446
7762 1 20 . 1 1 56 56 ALA H H 56 8.620 8.620 8.353 0.267 25446
7763 1 20 . 1 1 57 57 ASP N N 57 115.649 115.649 115.950 -0.301 25446
7764 1 20 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.437 0.039 25446
7765 1 20 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.583 0.587 25446
7766 1 20 . 1 1 57 57 ASP H H 57 8.321 8.321 8.332 -0.011 25446
7767 1 20 . 1 1 58 58 ASP N N 58 118.298 118.298 118.829 -0.531 25446
7768 1 20 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.569 0.099 25446
7769 1 20 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.158 0.644 25446
7770 1 20 . 1 1 58 58 ASP H H 58 7.971 7.971 8.281 -0.310 25446
7771 1 20 . 1 1 59 59 VAL N N 59 118.443 118.443 123.565 -5.122 25446
7772 1 20 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.223 -0.014 25446
7773 1 20 . 1 1 59 59 VAL CA C 59 62.070 62.070 62.821 -0.751 25446
7774 1 20 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.330 0.000 25446
7775 1 20 . 1 1 59 59 VAL H H 59 7.700 7.700 8.373 -0.673 25446
7776 1 20 . 1 1 60 60 GLU N N 60 122.777 122.777 120.622 2.155 25446
7777 1 20 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.423 -0.140 25446
7778 1 20 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.610 -0.292 25446
7779 1 20 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.481 -0.604 25446
7780 1 20 . 1 1 60 60 GLU H H 60 8.416 8.416 7.996 0.420 25446
7781 1 20 . 1 1 61 61 LEU N N 61 124.910 124.910 123.813 1.097 25446
7782 1 20 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.665 -0.308 25446
7783 1 20 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.835 0.327 25446
7784 1 20 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.118 -1.273 25446
7785 1 20 . 1 1 61 61 LEU H H 61 8.249 8.249 8.486 -0.237 25446
7786 1 20 . 1 1 62 62 SER N N 62 118.228 118.228 117.268 0.960 25446
7787 1 20 . 1 1 62 62 SER HA H 62 4.816 4.816 5.004 -0.188 25446
7788 1 20 . 1 1 62 62 SER CB C 62 63.963 63.963 64.973 -1.010 25446
7789 1 20 . 1 1 62 62 SER H H 62 8.025 8.025 8.271 -0.246 25446
7790 1 20 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.638 -0.384 25446
7791 1 20 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.036 -0.142 25446
7792 1 20 . 1 1 64 64 GLU N N 64 116.457 116.457 118.481 -2.024 25446
7793 1 20 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.139 -0.272 25446
7794 1 20 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.351 -0.605 25446
7795 1 20 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.010 -0.303 25446
7796 1 20 . 1 1 64 64 GLU H H 64 8.310 8.310 8.993 -0.683 25446
7797 1 20 . 1 1 65 65 HIS N N 65 114.998 114.998 119.751 -4.753 25446
7798 1 20 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.196 0.101 25446
7799 1 20 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.327 -0.962 25446
7800 1 20 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.529 0.078 25446
7801 1 20 . 1 1 65 65 HIS H H 65 7.324 7.324 7.850 -0.526 25446
7802 1 20 . 1 1 66 66 PHE N N 66 115.965 115.965 115.654 0.311 25446
7803 1 20 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.504 0.278 25446
7804 1 20 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.242 -2.576 25446
7805 1 20 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.361 0.623 25446
7806 1 20 . 1 1 66 66 PHE H H 66 7.245 7.245 7.697 -0.452 25446
7807 1 20 . 1 1 67 67 ARG N N 67 112.179 112.179 120.602 -8.423 25446
7808 1 20 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.033 0.051 25446
7809 1 20 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.378 -0.087 25446
7810 1 20 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.705 0.932 25446
7811 1 20 . 1 1 67 67 ARG H H 67 6.632 6.632 7.531 -0.899 25446
7812 1 20 . 1 1 68 68 SER N N 68 109.181 109.181 108.650 0.531 25446
7813 1 20 . 1 1 68 68 SER HA H 68 4.985 4.985 4.681 0.304 25446
7814 1 20 . 1 1 68 68 SER CA C 68 55.664 55.664 56.673 -1.009 25446
7815 1 20 . 1 1 68 68 SER CB C 68 67.608 67.608 65.792 1.816 25446
7816 1 20 . 1 1 68 68 SER H H 68 8.139 8.139 7.362 0.777 25446
7817 1 20 . 1 1 69 69 ILE N N 69 122.526 122.526 123.833 -1.307 25446
7818 1 20 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.744 -0.062 25446
7819 1 20 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.952 1.786 25446
7820 1 20 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.838 -0.850 25446
7821 1 20 . 1 1 69 69 ILE H H 69 9.770 9.770 8.870 0.900 25446
7822 1 20 . 1 1 70 70 ARG N N 70 118.671 118.671 120.428 -1.757 25446
7823 1 20 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.911 0.057 25446
7824 1 20 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.928 0.401 25446
7825 1 20 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.744 0.556 25446
7826 1 20 . 1 1 70 70 ARG H H 70 8.860 8.860 8.508 0.352 25446
7827 1 20 . 1 1 71 71 SER N N 71 117.722 117.722 115.586 2.136 25446
7828 1 20 . 1 1 71 71 SER HA H 71 4.346 4.346 4.142 0.204 25446
7829 1 20 . 1 1 71 71 SER CB C 71 62.962 62.962 62.825 0.137 25446
7830 1 20 . 1 1 71 71 SER H H 71 8.534 8.534 7.625 0.909 25446
7831 1 20 . 1 1 72 72 ILE N N 72 127.380 127.380 121.767 5.613 25446
7832 1 20 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.619 0.306 25446
7833 1 20 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.967 1.778 25446
7834 1 20 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.588 -0.227 25446
7835 1 20 . 1 1 72 72 ILE H H 72 8.789 8.789 7.033 1.756 25446
7836 1 20 . 1 1 73 73 ASP N N 73 121.443 121.443 120.979 0.464 25446
7837 1 20 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.261 -0.249 25446
7838 1 20 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.399 1.701 25446
7839 1 20 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.616 3.064 25446
7840 1 20 . 1 1 73 73 ASP H H 73 8.699 8.699 8.153 0.546 25446
7841 1 20 . 1 1 74 74 ALA N N 74 118.799 118.799 121.827 -3.028 25446
7842 1 20 . 1 1 74 74 ALA HA H 74 4.039 4.039 3.985 0.054 25446
7843 1 20 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.356 -0.121 25446
7844 1 20 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.433 -0.484 25446
7845 1 20 . 1 1 74 74 ALA H H 74 8.042 8.042 7.928 0.114 25446
7846 1 20 . 1 1 75 75 PHE N N 75 121.125 121.125 119.796 1.329 25446
7847 1 20 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.140 -0.095 25446
7848 1 20 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.661 -0.710 25446
7849 1 20 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.495 -0.624 25446
7850 1 20 . 1 1 75 75 PHE H H 75 8.369 8.369 7.626 0.743 25446
7851 1 20 . 1 1 76 76 VAL N N 76 120.715 120.715 118.982 1.733 25446
7852 1 20 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.589 -0.639 25446
7853 1 20 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.083 -0.254 25446
7854 1 20 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.399 -0.172 25446
7855 1 20 . 1 1 76 76 VAL H H 76 8.555 8.555 8.220 0.335 25446
7856 1 20 . 1 1 77 77 VAL N N 77 121.286 121.286 119.188 2.098 25446
7857 1 20 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.645 -0.152 25446
7858 1 20 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.231 0.547 25446
7859 1 20 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.072 0.794 25446
7860 1 20 . 1 1 77 77 VAL H H 77 8.770 8.770 8.552 0.218 25446
7861 1 20 . 1 1 78 78 GLY N N 78 106.349 106.349 105.620 0.729 25446
7862 1 20 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.511 0.121 25446
7863 1 20 . 1 1 78 78 GLY H H 78 7.976 7.976 8.210 -0.234 25446
7864 1 20 . 1 1 79 79 ALA N N 79 120.998 120.998 121.638 -0.640 25446
7865 1 20 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.404 -0.197 25446
7866 1 20 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.476 0.320 25446
7867 1 20 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.696 -1.430 25446
7868 1 20 . 1 1 79 79 ALA H H 79 7.647 7.647 7.241 0.406 25446
7869 1 20 . 1 1 80 80 THR N N 80 107.402 107.402 111.737 -4.335 25446
7870 1 20 . 1 1 80 80 THR HA H 80 4.454 4.454 4.361 0.093 25446
7871 1 20 . 1 1 80 80 THR CA C 80 61.337 61.337 61.769 -0.432 25446
7872 1 20 . 1 1 80 80 THR CB C 80 70.703 70.703 69.374 1.329 25446
7873 1 20 . 1 1 80 80 THR H H 80 7.469 7.469 8.184 -0.715 25446
7874 1 20 . 1 1 81 81 THR N N 81 119.746 119.746 117.483 2.263 25446
7875 1 20 . 1 1 81 81 THR HA H 81 4.668 4.668 4.628 0.040 25446
7876 1 20 . 1 1 81 81 THR CA C 81 60.448 60.448 58.952 1.496 25446
7877 1 20 . 1 1 81 81 THR CB C 81 70.062 70.062 69.274 0.788 25446
7878 1 20 . 1 1 81 81 THR H H 81 7.684 7.684 7.880 -0.196 25446
7879 1 20 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.827 -0.128 25446
7880 1 20 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.693 0.917 25446
7881 1 20 . 1 1 82 82 PRO CB C 82 31.004 31.004 32.199 -1.195 25446
7882 1 20 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.495 -0.022 25446
7883 1 20 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.419 0.392 25446
7884 1 20 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.910 -0.829 25446
7885 1 20 . 1 1 84 84 VAL N N 84 120.611 120.611 121.932 -1.321 25446
7886 1 20 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.338 -0.291 25446
7887 1 20 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.387 1.926 25446
7888 1 20 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.797 -1.925 25446
7889 1 20 . 1 1 84 84 VAL H H 84 8.240 8.240 8.199 0.041 25446
7890 1 20 . 1 1 85 85 GLU N N 85 125.076 125.076 125.237 -0.161 25446
7891 1 20 . 1 1 85 85 GLU H H 85 8.434 8.434 8.727 -0.293 25446
7892 1 20 . 1 1 86 86 ALA N N 86 126.280 126.280 117.873 8.407 25446
7893 1 20 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.748 1.540 25446
7894 1 20 . 1 1 86 86 ALA H H 86 8.340 8.340 7.208 1.132 25446
7895 1 20 . 1 1 87 87 LYS N N 87 121.709 121.709 120.195 1.514 25446
7896 1 20 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.341 0.863 25446
7897 1 20 . 1 1 87 87 LYS H H 87 8.334 8.334 9.257 -0.923 25446
7898 1 20 . 1 1 88 88 LEU N N 88 125.379 125.379 120.009 5.370 25446
7899 1 20 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.257 -4.257 25446
7900 1 20 . 1 1 88 88 LEU H H 88 8.435 8.435 7.738 0.697 25446
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 82 2.747 0.320 2.745 25446
2 1 1 "Average Difference" HA 80 0.575 0.054 0.576 25446
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25446
4 1 1 "Average Difference" CA 80 1.212 -0.014 1.220 25446
5 1 1 "Average Difference" CB 72 1.132 -0.173 1.127 25446
6 1 1 "Average Difference" HN 81 0.637 -0.066 0.637 25446
7 1 2 "Average Difference" N 82 2.689 0.127 2.703 25446
8 1 2 "Average Difference" HA 80 0.576 0.034 0.578 25446
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25446
10 1 2 "Average Difference" CA 80 1.235 -0.089 1.239 25446
11 1 2 "Average Difference" CB 72 1.063 -0.163 1.058 25446
12 1 2 "Average Difference" HN 81 0.650 -0.096 0.647 25446
13 1 3 "Average Difference" N 82 3.139 0.108 3.156 25446
14 1 3 "Average Difference" HA 80 0.541 0.061 0.541 25446
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25446
16 1 3 "Average Difference" CA 80 1.142 -0.010 1.149 25446
17 1 3 "Average Difference" CB 72 0.924 -0.197 0.909 25446
18 1 3 "Average Difference" HN 81 0.650 -0.094 0.647 25446
19 1 4 "Average Difference" N 82 3.087 -0.150 3.103 25446
20 1 4 "Average Difference" HA 80 0.521 0.060 0.520 25446
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25446
22 1 4 "Average Difference" CA 80 1.246 -0.029 1.253 25446
23 1 4 "Average Difference" CB 72 1.031 -0.141 1.028 25446
24 1 4 "Average Difference" HN 81 0.622 -0.097 0.619 25446
25 1 5 "Average Difference" N 82 2.974 -0.005 2.993 25446
26 1 5 "Average Difference" HA 80 0.534 0.042 0.536 25446
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25446
28 1 5 "Average Difference" CA 80 1.263 -0.189 1.256 25446
29 1 5 "Average Difference" CB 72 1.098 -0.231 1.081 25446
30 1 5 "Average Difference" HN 81 0.674 -0.074 0.674 25446
31 1 6 "Average Difference" N 82 2.883 0.152 2.897 25446
32 1 6 "Average Difference" HA 80 0.545 0.059 0.546 25446
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25446
34 1 6 "Average Difference" CA 80 1.149 0.007 1.156 25446
35 1 6 "Average Difference" CB 72 0.979 -0.191 0.967 25446
36 1 6 "Average Difference" HN 81 0.640 -0.064 0.641 25446
37 1 7 "Average Difference" N 82 2.801 0.048 2.818 25446
38 1 7 "Average Difference" HA 80 0.550 0.051 0.551 25446
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25446
40 1 7 "Average Difference" CA 80 1.286 -0.134 1.287 25446
41 1 7 "Average Difference" CB 72 1.158 -0.204 1.148 25446
42 1 7 "Average Difference" HN 81 0.626 -0.090 0.623 25446
43 1 8 "Average Difference" N 82 2.913 -0.020 2.931 25446
44 1 8 "Average Difference" HA 80 0.527 0.047 0.528 25446
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25446
46 1 8 "Average Difference" CA 80 1.281 -0.123 1.283 25446
47 1 8 "Average Difference" CB 72 1.028 -0.175 1.020 25446
48 1 8 "Average Difference" HN 81 0.652 -0.073 0.651 25446
49 1 9 "Average Difference" N 82 2.908 0.160 2.921 25446
50 1 9 "Average Difference" HA 80 0.571 0.069 0.570 25446
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25446
52 1 9 "Average Difference" CA 80 1.207 -0.118 1.209 25446
53 1 9 "Average Difference" CB 72 1.150 -0.203 1.139 25446
54 1 9 "Average Difference" HN 81 0.653 -0.120 0.646 25446
55 1 10 "Average Difference" N 82 3.010 0.151 3.024 25446
56 1 10 "Average Difference" HA 80 0.570 0.030 0.572 25446
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25446
58 1 10 "Average Difference" CA 80 1.211 -0.141 1.210 25446
59 1 10 "Average Difference" CB 72 1.110 -0.299 1.076 25446
60 1 10 "Average Difference" HN 81 0.649 -0.093 0.647 25446
61 1 11 "Average Difference" N 82 2.967 0.189 2.980 25446
62 1 11 "Average Difference" HA 80 0.546 0.021 0.549 25446
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25446
64 1 11 "Average Difference" CA 80 1.291 -0.115 1.294 25446
65 1 11 "Average Difference" CB 72 1.160 -0.316 1.124 25446
66 1 11 "Average Difference" HN 81 0.687 -0.071 0.687 25446
67 1 12 "Average Difference" N 82 2.786 0.016 2.803 25446
68 1 12 "Average Difference" HA 80 0.590 0.060 0.590 25446
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25446
70 1 12 "Average Difference" CA 80 1.233 -0.080 1.238 25446
71 1 12 "Average Difference" CB 72 1.012 -0.099 1.014 25446
72 1 12 "Average Difference" HN 81 0.625 -0.085 0.623 25446
73 1 13 "Average Difference" N 82 2.708 0.295 2.709 25446
74 1 13 "Average Difference" HA 80 0.566 0.047 0.567 25446
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25446
76 1 13 "Average Difference" CA 80 1.257 -0.091 1.262 25446
77 1 13 "Average Difference" CB 72 1.099 -0.187 1.091 25446
78 1 13 "Average Difference" HN 81 0.658 -0.092 0.656 25446
79 1 14 "Average Difference" N 82 2.952 0.127 2.967 25446
80 1 14 "Average Difference" HA 80 0.533 0.056 0.533 25446
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25446
82 1 14 "Average Difference" CA 80 1.197 -0.044 1.203 25446
83 1 14 "Average Difference" CB 72 0.989 -0.135 0.987 25446
84 1 14 "Average Difference" HN 81 0.667 -0.074 0.667 25446
85 1 15 "Average Difference" N 82 2.897 0.117 2.913 25446
86 1 15 "Average Difference" HA 80 0.574 0.031 0.577 25446
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25446
88 1 15 "Average Difference" CA 80 1.287 -0.143 1.287 25446
89 1 15 "Average Difference" CB 72 1.047 -0.217 1.032 25446
90 1 15 "Average Difference" HN 81 0.644 -0.075 0.644 25446
91 1 16 "Average Difference" N 82 2.798 0.026 2.815 25446
92 1 16 "Average Difference" HA 80 0.614 0.027 0.617 25446
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25446
94 1 16 "Average Difference" CA 80 1.254 -0.162 1.251 25446
95 1 16 "Average Difference" CB 72 1.129 -0.223 1.114 25446
96 1 16 "Average Difference" HN 81 0.644 -0.132 0.634 25446
97 1 17 "Average Difference" N 82 3.030 -0.081 3.047 25446
98 1 17 "Average Difference" HA 80 0.547 0.062 0.547 25446
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25446
100 1 17 "Average Difference" CA 80 1.256 -0.069 1.262 25446
101 1 17 "Average Difference" CB 72 0.974 -0.182 0.963 25446
102 1 17 "Average Difference" HN 81 0.610 -0.063 0.611 25446
103 1 18 "Average Difference" N 82 2.662 0.323 2.659 25446
104 1 18 "Average Difference" HA 80 0.551 0.052 0.552 25446
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25446
106 1 18 "Average Difference" CA 80 1.233 -0.070 1.239 25446
107 1 18 "Average Difference" CB 72 1.101 -0.282 1.072 25446
108 1 18 "Average Difference" HN 81 0.639 -0.093 0.637 25446
109 1 19 "Average Difference" N 82 2.842 0.280 2.846 25446
110 1 19 "Average Difference" HA 80 0.583 0.043 0.585 25446
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25446
112 1 19 "Average Difference" CA 80 1.254 -0.101 1.258 25446
113 1 19 "Average Difference" CB 72 1.065 -0.339 1.017 25446
114 1 19 "Average Difference" HN 81 0.646 -0.083 0.644 25446
115 1 20 "Average Difference" N 82 2.984 0.245 2.992 25446
116 1 20 "Average Difference" HA 80 0.564 0.027 0.567 25446
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25446
118 1 20 "Average Difference" CA 80 1.194 -0.085 1.199 25446
119 1 20 "Average Difference" CB 72 1.063 -0.166 1.057 25446
120 1 20 "Average Difference" HN 81 0.660 -0.066 0.660 25446
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 25446
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLN N N 2 123.771 123.771 121.103 2.668 25446
2 1 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.268 -0.138 25446
3 1 . 1 1 2 2 GLN CA C 2 57.549 57.549 56.344 1.205 25446
4 1 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.295 0.867 25446
5 1 . 1 1 2 2 GLN H H 2 9.634 9.634 8.510 1.124 25446
6 1 . 1 1 3 3 HIS N N 3 119.013 119.013 116.364 2.649 25446
7 1 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.346 0.838 25446
8 1 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.302 -1.299 25446
9 1 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.024 2.064 25446
10 1 . 1 1 3 3 HIS H H 3 9.946 9.946 8.618 1.328 25446
11 1 . 1 1 4 4 ALA N N 4 122.550 122.550 121.929 0.621 25446
12 1 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.035 -0.144 25446
13 1 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.118 1.442 25446
14 1 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.768 0.024 25446
15 1 . 1 1 4 4 ALA H H 4 7.524 7.524 8.172 -0.648 25446
16 1 . 1 1 5 5 SER N N 5 112.310 112.310 113.440 -1.130 25446
17 1 . 1 1 5 5 SER HA H 5 4.295 4.295 4.148 0.147 25446
18 1 . 1 1 5 5 SER CA C 5 62.089 62.089 61.518 0.571 25446
19 1 . 1 1 5 5 SER CB C 5 62.421 62.421 62.605 -0.183 25446
20 1 . 1 1 5 5 SER H H 5 8.772 8.772 8.285 0.487 25446
21 1 . 1 1 6 6 VAL N N 6 122.625 122.625 122.392 0.233 25446
22 1 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.806 0.305 25446
23 1 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.032 -0.324 25446
24 1 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.541 1.199 25446
25 1 . 1 1 6 6 VAL H H 6 7.657 7.657 7.407 0.250 25446
26 1 . 1 1 7 7 ILE N N 7 121.536 121.536 120.620 0.916 25446
27 1 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.676 0.550 25446
28 1 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.824 -0.531 25446
29 1 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.335 1.296 25446
30 1 . 1 1 7 7 ILE H H 7 8.526 8.526 7.604 0.922 25446
31 1 . 1 1 8 8 ALA N N 8 121.229 121.229 121.644 -0.415 25446
32 1 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.018 -0.122 25446
33 1 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.542 0.700 25446
34 1 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.167 0.564 25446
35 1 . 1 1 8 8 ALA H H 8 8.946 8.946 8.089 0.857 25446
36 1 . 1 1 9 9 GLN N N 9 114.998 114.998 119.237 -4.239 25446
37 1 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.075 -0.202 25446
38 1 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.653 0.307 25446
39 1 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.552 -0.739 25446
40 1 . 1 1 9 9 GLN H H 9 7.731 7.731 8.223 -0.493 25446
41 1 . 1 1 10 10 PHE N N 10 120.075 120.075 121.608 -1.533 25446
42 1 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.215 -0.137 25446
43 1 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.586 -0.733 25446
44 1 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.416 -0.593 25446
45 1 . 1 1 10 10 PHE H H 10 7.299 7.299 8.780 -1.481 25446
46 1 . 1 1 11 11 VAL N N 11 117.458 117.458 118.321 -0.863 25446
47 1 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.803 -0.496 25446
48 1 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.193 0.251 25446
49 1 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.023 -0.335 25446
50 1 . 1 1 11 11 VAL H H 11 8.363 8.363 8.315 0.048 25446
51 1 . 1 1 12 12 VAL N N 12 117.722 117.722 119.676 -1.954 25446
52 1 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.402 0.345 25446
53 1 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.379 -0.460 25446
54 1 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.056 0.211 25446
55 1 . 1 1 12 12 VAL H H 12 8.289 8.289 8.355 -0.066 25446
56 1 . 1 1 13 13 GLU N N 13 117.827 117.827 119.466 -1.639 25446
57 1 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.871 -0.129 25446
58 1 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.157 0.036 25446
59 1 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.247 0.247 25446
60 1 . 1 1 13 13 GLU H H 13 7.758 7.758 8.161 -0.403 25446
61 1 . 1 1 14 14 GLU N N 14 113.425 113.425 118.329 -4.904 25446
62 1 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.897 -0.125 25446
63 1 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.131 -1.524 25446
64 1 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.623 -0.123 25446
65 1 . 1 1 14 14 GLU H H 14 7.604 7.604 7.564 0.040 25446
66 1 . 1 1 15 15 PHE N N 15 114.097 114.097 114.884 -0.787 25446
67 1 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.669 0.272 25446
68 1 . 1 1 15 15 PHE CA C 15 57.993 57.993 57.440 0.554 25446
69 1 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.798 2.194 25446
70 1 . 1 1 15 15 PHE H H 15 7.916 7.916 7.289 0.627 25446
71 1 . 1 1 16 16 LEU N N 16 121.405 121.405 121.114 0.291 25446
72 1 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.648 0.319 25446
73 1 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.649 -0.332 25446
74 1 . 1 1 16 16 LEU CB C 16 44.735 44.735 42.733 2.002 25446
75 1 . 1 1 16 16 LEU H H 16 8.046 8.046 7.804 0.242 25446
76 1 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.509 -0.135 25446
77 1 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.870 1.795 25446
78 1 . 1 1 18 18 ASP N N 18 116.413 116.413 118.096 -1.683 25446
79 1 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.543 0.041 25446
80 1 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.403 0.187 25446
81 1 . 1 1 18 18 ASP H H 18 8.415 8.415 8.566 -0.151 25446
82 1 . 1 1 19 19 VAL N N 19 122.077 122.077 119.333 2.744 25446
83 1 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.127 -0.014 25446
84 1 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.761 0.586 25446
85 1 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.323 -0.936 25446
86 1 . 1 1 19 19 VAL H H 19 7.771 7.771 7.238 0.533 25446
87 1 . 1 1 20 20 ALA N N 20 129.197 129.197 129.425 -0.228 25446
88 1 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.453 0.135 25446
89 1 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.541 -0.313 25446
90 1 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.192 -0.769 25446
91 1 . 1 1 20 20 ALA H H 20 8.765 8.765 8.419 0.346 25446
92 1 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.159 -0.085 25446
93 1 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.390 0.751 25446
94 1 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.822 -0.484 25446
95 1 . 1 1 22 22 ALA N N 22 115.949 115.949 117.808 -1.859 25446
96 1 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.180 -0.063 25446
97 1 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.946 -0.163 25446
98 1 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.364 0.388 25446
99 1 . 1 1 22 22 ALA H H 22 8.074 8.074 8.009 0.065 25446
100 1 . 1 1 23 23 ASP N N 23 115.451 115.451 117.351 -1.900 25446
101 1 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.743 -0.091 25446
102 1 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.911 0.533 25446
103 1 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.170 -0.030 25446
104 1 . 1 1 23 23 ASP H H 23 8.023 8.023 8.058 -0.035 25446
105 1 . 1 1 24 24 VAL N N 24 121.382 121.382 120.754 0.628 25446
106 1 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.113 -0.285 25446
107 1 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.342 0.969 25446
108 1 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.212 -1.348 25446
109 1 . 1 1 24 24 VAL H H 24 7.072 7.072 7.359 -0.287 25446
110 1 . 1 1 25 25 ASP N N 25 129.258 129.258 127.474 1.784 25446
111 1 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.599 -0.027 25446
112 1 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.301 0.169 25446
113 1 . 1 1 25 25 ASP H H 25 8.499 8.499 8.807 -0.308 25446
114 1 . 1 1 26 26 VAL N N 26 121.736 121.736 120.093 1.643 25446
115 1 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.875 0.233 25446
116 1 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.666 0.810 25446
117 1 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.658 -0.441 25446
118 1 . 1 1 26 26 VAL H H 26 8.566 8.566 7.994 0.572 25446
119 1 . 1 1 27 27 ASP N N 27 116.233 116.233 118.130 -1.897 25446
120 1 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.691 0.463 25446
121 1 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.241 -0.118 25446
122 1 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.668 1.924 25446
123 1 . 1 1 27 27 ASP H H 27 8.638 8.638 7.927 0.711 25446
124 1 . 1 1 28 28 LEU N N 28 125.046 125.046 122.587 2.459 25446
125 1 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.455 -0.429 25446
126 1 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.713 1.154 25446
127 1 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.668 -0.260 25446
128 1 . 1 1 28 28 LEU H H 28 7.389 7.389 7.526 -0.137 25446
129 1 . 1 1 29 29 ASP N N 29 125.807 125.807 125.428 0.379 25446
130 1 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.697 0.134 25446
131 1 . 1 1 29 29 ASP H H 29 8.731 8.731 8.603 0.128 25446
132 1 . 1 1 30 30 LEU N N 30 130.007 130.007 122.711 7.296 25446
133 1 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.291 -0.393 25446
134 1 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.407 0.012 25446
135 1 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.508 0.615 25446
136 1 . 1 1 30 30 LEU H H 30 9.744 9.744 8.465 1.279 25446
137 1 . 1 1 31 31 VAL N N 31 121.093 121.093 122.176 -1.083 25446
138 1 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.604 0.622 25446
139 1 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.116 -1.725 25446
140 1 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.280 0.901 25446
141 1 . 1 1 31 31 VAL H H 31 8.166 8.166 7.845 0.321 25446
142 1 . 1 1 32 32 ASP N N 32 124.657 124.657 119.679 4.978 25446
143 1 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.361 0.003 25446
144 1 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.906 0.213 25446
145 1 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.125 0.635 25446
146 1 . 1 1 32 32 ASP H H 32 9.365 9.365 8.044 1.321 25446
147 1 . 1 1 33 33 ASN N N 33 111.260 111.260 117.782 -6.522 25446
148 1 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.580 0.160 25446
149 1 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.740 1.072 25446
150 1 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.854 1.252 25446
151 1 . 1 1 33 33 ASN H H 33 7.423 7.423 7.950 -0.527 25446
152 1 . 1 1 34 34 GLY N N 34 106.935 106.935 109.649 -2.714 25446
153 1 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.034 -0.410 25446
154 1 . 1 1 34 34 GLY H H 34 7.648 7.648 8.599 -0.951 25446
155 1 . 1 1 35 35 VAL N N 35 120.307 120.307 122.620 -2.313 25446
156 1 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.591 0.189 25446
157 1 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.065 -0.040 25446
158 1 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.607 0.182 25446
159 1 . 1 1 35 35 VAL H H 35 7.838 7.838 7.409 0.428 25446
160 1 . 1 1 36 36 ILE N N 36 116.154 116.154 119.212 -3.058 25446
161 1 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.783 -0.024 25446
162 1 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.589 -3.013 25446
163 1 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.673 1.552 25446
164 1 . 1 1 36 36 ILE H H 36 7.337 7.337 8.589 -1.252 25446
165 1 . 1 1 37 37 ASP N N 37 126.730 126.730 120.240 6.489 25446
166 1 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.769 0.960 25446
167 1 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.736 -5.099 25446
168 1 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.189 1.062 25446
169 1 . 1 1 37 37 ASP H H 37 7.921 7.921 8.183 -0.262 25446
170 1 . 1 1 38 38 SER N N 38 113.176 113.176 113.789 -0.613 25446
171 1 . 1 1 38 38 SER HA H 38 4.122 4.122 4.538 -0.416 25446
172 1 . 1 1 38 38 SER CA C 38 61.062 61.062 59.745 1.317 25446
173 1 . 1 1 39 39 LEU N N 39 122.521 122.521 123.227 -0.706 25446
174 1 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.130 0.143 25446
175 1 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.220 -0.850 25446
176 1 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.889 -0.630 25446
177 1 . 1 1 39 39 LEU H H 39 7.675 7.675 7.771 -0.096 25446
178 1 . 1 1 40 40 GLY N N 40 111.971 111.971 106.499 5.472 25446
179 1 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.969 1.150 25446
180 1 . 1 1 40 40 GLY H H 40 8.776 8.776 7.595 1.180 25446
181 1 . 1 1 41 41 LEU N N 41 122.579 122.579 123.652 -1.073 25446
182 1 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.122 -0.277 25446
183 1 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.824 0.441 25446
184 1 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.997 -0.418 25446
185 1 . 1 1 41 41 LEU H H 41 8.551 8.551 8.499 0.052 25446
186 1 . 1 1 42 42 LEU N N 42 116.126 116.126 119.298 -3.172 25446
187 1 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.942 0.067 25446
188 1 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.457 -0.356 25446
189 1 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.583 -0.636 25446
190 1 . 1 1 42 42 LEU H H 42 7.213 7.213 7.978 -0.765 25446
191 1 . 1 1 43 43 LYS N N 43 119.793 119.793 119.366 0.427 25446
192 1 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.070 0.212 25446
193 1 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.922 -0.352 25446
194 1 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.381 0.156 25446
195 1 . 1 1 43 43 LYS H H 43 7.664 7.664 7.488 0.177 25446
196 1 . 1 1 44 44 VAL N N 44 121.147 121.147 121.045 0.102 25446
197 1 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.039 -0.102 25446
198 1 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.034 -0.216 25446
199 1 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.707 -0.148 25446
200 1 . 1 1 44 44 VAL H H 44 8.278 8.278 8.530 -0.252 25446
201 1 . 1 1 45 45 ILE N N 45 119.222 119.222 120.586 -1.364 25446
202 1 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.767 -0.362 25446
203 1 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.096 1.965 25446
204 1 . 1 1 45 45 ILE CB C 45 38.239 38.239 36.691 1.548 25446
205 1 . 1 1 45 45 ILE H H 45 8.127 8.127 8.389 -0.262 25446
206 1 . 1 1 46 46 ALA N N 46 121.011 121.011 122.941 -1.930 25446
207 1 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.175 0.057 25446
208 1 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.075 -0.115 25446
209 1 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.550 -0.210 25446
210 1 . 1 1 46 46 ALA H H 46 7.811 7.811 7.916 -0.105 25446
211 1 . 1 1 47 47 TRP N N 47 121.158 121.158 121.071 0.087 25446
212 1 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.454 -0.219 25446
213 1 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.212 1.622 25446
214 1 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.779 -1.558 25446
215 1 . 1 1 47 47 TRP H H 47 8.094 8.094 8.363 -0.269 25446
216 1 . 1 1 48 48 LEU N N 48 118.890 118.890 121.513 -2.623 25446
217 1 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.986 0.587 25446
218 1 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.465 -0.273 25446
219 1 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.632 0.622 25446
220 1 . 1 1 48 48 LEU H H 48 8.704 8.704 8.948 -0.244 25446
221 1 . 1 1 49 49 GLU N N 49 118.917 118.917 118.803 0.114 25446
222 1 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.050 -0.004 25446
223 1 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.387 0.321 25446
224 1 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.172 0.444 25446
225 1 . 1 1 49 49 GLU H H 49 7.808 7.808 8.135 -0.327 25446
226 1 . 1 1 50 50 ASP N N 50 119.614 119.614 119.618 -0.004 25446
227 1 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.410 -0.170 25446
228 1 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.356 0.653 25446
229 1 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.882 1.495 25446
230 1 . 1 1 50 50 ASP H H 50 7.677 7.677 7.580 0.097 25446
231 1 . 1 1 51 51 ARG N N 51 116.918 116.918 117.883 -0.965 25446
232 1 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.962 -0.237 25446
233 1 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.274 -1.986 25446
234 1 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.412 -1.128 25446
235 1 . 1 1 51 51 ARG H H 51 8.876 8.876 7.658 1.218 25446
236 1 . 1 1 52 52 PHE N N 52 112.278 112.278 114.485 -2.207 25446
237 1 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.589 0.068 25446
238 1 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.268 -1.218 25446
239 1 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.715 1.037 25446
240 1 . 1 1 52 52 PHE H H 52 7.330 7.330 7.760 -0.430 25446
241 1 . 1 1 53 53 GLY N N 53 109.717 109.717 109.175 0.542 25446
242 1 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.621 1.025 25446
243 1 . 1 1 53 53 GLY H H 53 7.411 7.411 8.159 -0.748 25446
244 1 . 1 1 54 54 ILE N N 54 119.148 119.148 120.055 -0.907 25446
245 1 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.175 -0.232 25446
246 1 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.207 0.393 25446
247 1 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.286 0.223 25446
248 1 . 1 1 54 54 ILE H H 54 6.901 6.901 7.418 -0.517 25446
249 1 . 1 1 55 55 ALA N N 55 129.774 129.774 128.468 1.306 25446
250 1 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.253 0.149 25446
251 1 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.506 -0.858 25446
252 1 . 1 1 55 55 ALA H H 55 8.538 8.538 8.379 0.159 25446
253 1 . 1 1 56 56 ALA N N 56 126.034 126.034 124.507 1.527 25446
254 1 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.130 0.143 25446
255 1 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.847 -0.235 25446
256 1 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.832 0.290 25446
257 1 . 1 1 56 56 ALA H H 56 8.620 8.620 8.589 0.031 25446
258 1 . 1 1 57 57 ASP N N 57 115.649 115.649 115.907 -0.258 25446
259 1 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.479 -0.004 25446
260 1 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.756 0.414 25446
261 1 . 1 1 57 57 ASP H H 57 8.321 8.321 8.365 -0.044 25446
262 1 . 1 1 58 58 ASP N N 58 118.298 118.298 118.670 -0.372 25446
263 1 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.483 0.185 25446
264 1 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.919 -0.117 25446
265 1 . 1 1 58 58 ASP H H 58 7.971 7.971 8.162 -0.191 25446
266 1 . 1 1 59 59 VAL N N 59 118.443 118.443 118.941 -0.498 25446
267 1 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.248 -0.039 25446
268 1 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.490 0.580 25446
269 1 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.944 -0.614 25446
270 1 . 1 1 59 59 VAL H H 59 7.700 7.700 7.789 -0.089 25446
271 1 . 1 1 60 60 GLU N N 60 122.777 122.777 122.775 0.002 25446
272 1 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.463 -0.180 25446
273 1 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.978 0.339 25446
274 1 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.606 -0.729 25446
275 1 . 1 1 60 60 GLU H H 60 8.416 8.416 8.293 0.123 25446
276 1 . 1 1 61 61 LEU N N 61 124.910 124.910 124.298 0.612 25446
277 1 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.575 -0.218 25446
278 1 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.328 0.833 25446
279 1 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.208 -1.363 25446
280 1 . 1 1 61 61 LEU H H 61 8.249 8.249 8.432 -0.183 25446
281 1 . 1 1 62 62 SER N N 62 118.228 118.228 117.911 0.317 25446
282 1 . 1 1 62 62 SER HA H 62 4.816 4.816 4.924 -0.108 25446
283 1 . 1 1 62 62 SER CB C 62 63.963 63.963 64.589 -0.626 25446
284 1 . 1 1 62 62 SER H H 62 8.025 8.025 8.222 -0.197 25446
285 1 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.560 -0.306 25446
286 1 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.127 -0.233 25446
287 1 . 1 1 64 64 GLU N N 64 116.457 116.457 118.194 -1.737 25446
288 1 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.122 -0.255 25446
289 1 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.178 -0.432 25446
290 1 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.012 -0.304 25446
291 1 . 1 1 64 64 GLU H H 64 8.310 8.310 8.858 -0.548 25446
292 1 . 1 1 65 65 HIS N N 65 114.998 114.998 119.353 -4.355 25446
293 1 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.222 0.075 25446
294 1 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.355 -0.990 25446
295 1 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.657 -0.050 25446
296 1 . 1 1 65 65 HIS H H 65 7.324 7.324 7.825 -0.501 25446
297 1 . 1 1 66 66 PHE N N 66 115.965 115.965 115.063 0.902 25446
298 1 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.534 0.248 25446
299 1 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.241 -2.575 25446
300 1 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.551 0.433 25446
301 1 . 1 1 66 66 PHE H H 66 7.245 7.245 7.569 -0.324 25446
302 1 . 1 1 67 67 ARG N N 67 112.179 112.179 119.254 -7.075 25446
303 1 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.026 0.058 25446
304 1 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.171 0.120 25446
305 1 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.815 0.822 25446
306 1 . 1 1 67 67 ARG H H 67 6.632 6.632 7.547 -0.915 25446
307 1 . 1 1 68 68 SER N N 68 109.181 109.181 108.757 0.424 25446
308 1 . 1 1 68 68 SER HA H 68 4.985 4.985 4.704 0.281 25446
309 1 . 1 1 68 68 SER CA C 68 55.664 55.664 56.530 -0.866 25446
310 1 . 1 1 68 68 SER CB C 68 67.608 67.608 65.843 1.765 25446
311 1 . 1 1 68 68 SER H H 68 8.139 8.139 7.376 0.763 25446
312 1 . 1 1 69 69 ILE N N 69 122.526 122.526 123.342 -0.816 25446
313 1 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.757 -0.075 25446
314 1 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.048 1.690 25446
315 1 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.834 -0.846 25446
316 1 . 1 1 69 69 ILE H H 69 9.770 9.770 8.938 0.832 25446
317 1 . 1 1 70 70 ARG N N 70 118.671 118.671 119.542 -0.871 25446
318 1 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.021 -0.053 25446
319 1 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.734 0.595 25446
320 1 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.675 0.625 25446
321 1 . 1 1 70 70 ARG H H 70 8.860 8.860 8.298 0.562 25446
322 1 . 1 1 71 71 SER N N 71 117.722 117.722 115.291 2.431 25446
323 1 . 1 1 71 71 SER HA H 71 4.346 4.346 4.156 0.190 25446
324 1 . 1 1 71 71 SER CB C 71 62.962 62.962 62.623 0.339 25446
325 1 . 1 1 71 71 SER H H 71 8.534 8.534 7.622 0.912 25446
326 1 . 1 1 72 72 ILE N N 72 127.380 127.380 122.058 5.322 25446
327 1 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.634 0.291 25446
328 1 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.848 1.897 25446
329 1 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.608 -0.247 25446
330 1 . 1 1 72 72 ILE H H 72 8.789 8.789 7.152 1.637 25446
331 1 . 1 1 73 73 ASP N N 73 121.443 121.443 120.721 0.722 25446
332 1 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.293 -0.281 25446
333 1 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.488 1.612 25446
334 1 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.320 3.360 25446
335 1 . 1 1 73 73 ASP H H 73 8.699 8.699 8.007 0.692 25446
336 1 . 1 1 74 74 ALA N N 74 118.799 118.799 122.128 -3.329 25446
337 1 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.067 -0.028 25446
338 1 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.152 0.083 25446
339 1 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.301 -0.352 25446
340 1 . 1 1 74 74 ALA H H 74 8.042 8.042 7.716 0.326 25446
341 1 . 1 1 75 75 PHE N N 75 121.125 121.125 119.293 1.832 25446
342 1 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.154 -0.109 25446
343 1 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.675 -0.724 25446
344 1 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.327 -0.456 25446
345 1 . 1 1 75 75 PHE H H 75 8.369 8.369 7.708 0.661 25446
346 1 . 1 1 76 76 VAL N N 76 120.715 120.715 119.251 1.464 25446
347 1 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.561 -0.611 25446
348 1 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.984 -0.155 25446
349 1 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.482 -0.255 25446
350 1 . 1 1 76 76 VAL H H 76 8.555 8.555 8.402 0.153 25446
351 1 . 1 1 77 77 VAL N N 77 121.286 121.286 119.538 1.748 25446
352 1 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.778 -0.285 25446
353 1 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.783 0.996 25446
354 1 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.423 0.443 25446
355 1 . 1 1 77 77 VAL H H 77 8.770 8.770 8.455 0.315 25446
356 1 . 1 1 78 78 GLY N N 78 106.349 106.349 105.883 0.466 25446
357 1 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.456 0.176 25446
358 1 . 1 1 78 78 GLY H H 78 7.976 7.976 7.988 -0.012 25446
359 1 . 1 1 79 79 ALA N N 79 120.998 120.998 122.220 -1.222 25446
360 1 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.450 -0.243 25446
361 1 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.696 0.100 25446
362 1 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.345 -1.079 25446
363 1 . 1 1 79 79 ALA H H 79 7.647 7.647 7.273 0.374 25446
364 1 . 1 1 80 80 THR N N 80 107.402 107.402 112.616 -5.214 25446
365 1 . 1 1 80 80 THR HA H 80 4.454 4.454 4.407 0.047 25446
366 1 . 1 1 80 80 THR CA C 80 61.337 61.337 61.604 -0.267 25446
367 1 . 1 1 80 80 THR CB C 80 70.703 70.703 70.712 -0.008 25446
368 1 . 1 1 80 80 THR H H 80 7.469 7.469 8.149 -0.680 25446
369 1 . 1 1 81 81 THR N N 81 119.746 119.746 118.493 1.253 25446
370 1 . 1 1 81 81 THR HA H 81 4.668 4.668 4.662 0.006 25446
371 1 . 1 1 81 81 THR CA C 81 60.448 60.448 58.362 2.086 25446
372 1 . 1 1 81 81 THR CB C 81 70.062 70.062 69.346 0.716 25446
373 1 . 1 1 81 81 THR H H 81 7.684 7.684 8.168 -0.484 25446
374 1 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.715 -0.016 25446
375 1 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.142 0.468 25446
376 1 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.204 -0.200 25446
377 1 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.377 0.096 25446
378 1 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.615 0.196 25446
379 1 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.434 -0.352 25446
380 1 . 1 1 84 84 VAL N N 84 120.611 120.611 121.429 -0.818 25446
381 1 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.340 -0.293 25446
382 1 . 1 1 84 84 VAL CA C 84 62.313 62.313 61.167 1.146 25446
383 1 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.124 -1.252 25446
384 1 . 1 1 84 84 VAL H H 84 8.240 8.240 8.216 0.024 25446
385 1 . 1 1 85 85 GLU N N 85 125.076 125.076 126.068 -0.992 25446
386 1 . 1 1 85 85 GLU H H 85 8.434 8.434 8.695 -0.261 25446
387 1 . 1 1 86 86 ALA N N 86 126.280 126.280 120.717 5.563 25446
388 1 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.532 0.756 25446
389 1 . 1 1 86 86 ALA H H 86 8.340 8.340 7.849 0.491 25446
390 1 . 1 1 87 87 LYS N N 87 121.709 121.709 121.689 0.020 25446
391 1 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.327 0.877 25446
392 1 . 1 1 87 87 LYS H H 87 8.334 8.334 8.794 -0.460 25446
393 1 . 1 1 88 88 LEU N N 88 125.379 125.379 119.925 5.454 25446
394 1 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.199 -4.199 25446
395 1 . 1 1 88 88 LEU H H 88 8.435 8.435 8.040 0.395 25446
stop_
save_