data_17519
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17519
_Entry.PDB_ID 2LAB
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 17519
_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 GLY C C 531 174.309 174.309 173.656 0.653 17519
2 1 1 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.151 0.025 17519
3 1 1 . 1 1 3 3 THR N N 532 113.802 113.802 116.525 -2.723 17519
4 1 1 . 1 1 3 3 THR HA H 532 4.429 4.429 4.264 0.165 17519
5 1 1 . 1 1 3 3 THR C C 532 174.430 174.430 174.327 0.103 17519
6 1 1 . 1 1 3 3 THR CA C 532 61.577 61.577 63.431 -1.855 17519
7 1 1 . 1 1 3 3 THR CB C 532 69.849 69.849 69.744 0.105 17519
8 1 1 . 1 1 3 3 THR H H 532 8.140 8.140 8.164 -0.024 17519
9 1 1 . 1 1 4 4 THR N N 533 115.407 115.407 114.461 0.946 17519
10 1 1 . 1 1 4 4 THR HA H 533 4.350 4.350 4.531 -0.181 17519
11 1 1 . 1 1 4 4 THR C C 533 173.831 173.831 172.801 1.030 17519
12 1 1 . 1 1 4 4 THR CA C 533 60.266 60.266 62.384 -2.118 17519
13 1 1 . 1 1 4 4 THR CB C 533 69.788 69.788 69.400 0.388 17519
14 1 1 . 1 1 4 4 THR H H 533 8.019 8.019 7.936 0.083 17519
15 1 1 . 1 1 5 5 ASN N N 534 121.822 121.822 122.386 -0.564 17519
16 1 1 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.104 -0.268 17519
17 1 1 . 1 1 5 5 ASN C C 534 174.057 174.057 173.801 0.256 17519
18 1 1 . 1 1 5 5 ASN CA C 534 52.686 52.686 51.667 1.019 17519
19 1 1 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.522 -1.366 17519
20 1 1 . 1 1 5 5 ASN H H 534 8.863 8.863 8.345 0.518 17519
21 1 1 . 1 1 6 6 LYS N N 535 119.369 119.369 117.507 1.862 17519
22 1 1 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.012 0.173 17519
23 1 1 . 1 1 6 6 LYS C C 535 175.924 175.924 174.812 1.112 17519
24 1 1 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.234 -0.703 17519
25 1 1 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.376 -0.360 17519
26 1 1 . 1 1 6 6 LYS H H 535 8.347 8.347 8.219 0.128 17519
27 1 1 . 1 1 7 7 VAL N N 536 123.112 123.112 119.189 3.923 17519
28 1 1 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.508 0.065 17519
29 1 1 . 1 1 7 7 VAL C C 536 174.602 174.602 174.975 -0.373 17519
30 1 1 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.425 0.720 17519
31 1 1 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.308 2.465 17519
32 1 1 . 1 1 7 7 VAL H H 536 8.828 8.828 8.992 -0.164 17519
33 1 1 . 1 1 8 8 THR N N 537 125.255 125.255 124.787 0.468 17519
34 1 1 . 1 1 8 8 THR HA H 537 5.396 5.396 5.168 0.228 17519
35 1 1 . 1 1 8 8 THR C C 537 173.129 173.129 173.903 -0.774 17519
36 1 1 . 1 1 8 8 THR CA C 537 61.611 61.611 62.868 -1.257 17519
37 1 1 . 1 1 8 8 THR CB C 537 70.113 70.113 70.099 0.014 17519
38 1 1 . 1 1 8 8 THR H H 537 8.914 8.914 8.121 0.793 17519
39 1 1 . 1 1 9 9 VAL N N 538 126.696 126.696 126.486 0.210 17519
40 1 1 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.833 -0.299 17519
41 1 1 . 1 1 9 9 VAL C C 538 175.565 175.565 174.478 1.087 17519
42 1 1 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.675 0.204 17519
43 1 1 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.810 0.369 17519
44 1 1 . 1 1 9 9 VAL H H 538 8.585 8.585 8.930 -0.345 17519
45 1 1 . 1 1 10 10 TYR N N 539 124.488 124.488 127.142 -2.654 17519
46 1 1 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.289 -0.031 17519
47 1 1 . 1 1 10 10 TYR C C 539 174.309 174.309 175.024 -0.715 17519
48 1 1 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.832 0.434 17519
49 1 1 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.535 -0.125 17519
50 1 1 . 1 1 10 10 TYR H H 539 9.111 9.111 8.783 0.328 17519
51 1 1 . 1 1 11 11 TYR N N 540 125.848 125.848 127.209 -1.361 17519
52 1 1 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.725 -0.699 17519
53 1 1 . 1 1 11 11 TYR C C 540 173.346 173.346 174.140 -0.794 17519
54 1 1 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.218 1.384 17519
55 1 1 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.553 0.405 17519
56 1 1 . 1 1 11 11 TYR H H 540 9.580 9.580 9.085 0.495 17519
57 1 1 . 1 1 12 12 LYS N N 541 131.489 131.489 127.505 3.984 17519
58 1 1 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.857 -0.405 17519
59 1 1 . 1 1 12 12 LYS C C 541 172.904 172.904 174.862 -1.958 17519
60 1 1 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.853 0.862 17519
61 1 1 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.079 0.018 17519
62 1 1 . 1 1 12 12 LYS H H 541 8.406 8.406 8.003 0.403 17519
63 1 1 . 1 1 13 13 LYS N N 542 125.132 125.132 127.213 -2.081 17519
64 1 1 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.856 0.082 17519
65 1 1 . 1 1 13 13 LYS C C 542 180.078 180.078 175.907 4.171 17519
66 1 1 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.455 -4.019 17519
67 1 1 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.627 -1.022 17519
68 1 1 . 1 1 13 13 LYS H H 542 7.515 7.515 7.700 -0.185 17519
69 1 1 . 1 1 14 14 GLY N N 543 112.724 112.724 112.574 0.150 17519
70 1 1 . 1 1 14 14 GLY C C 543 174.151 174.151 172.826 1.325 17519
71 1 1 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.386 1.904 17519
72 1 1 . 1 1 14 14 GLY H H 543 7.629 7.629 7.981 -0.352 17519
73 1 1 . 1 1 15 15 PHE N N 544 121.583 121.583 120.502 1.081 17519
74 1 1 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.737 -0.015 17519
75 1 1 . 1 1 15 15 PHE C C 544 175.876 175.876 175.797 0.079 17519
76 1 1 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.213 -1.103 17519
77 1 1 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.284 -1.893 17519
78 1 1 . 1 1 15 15 PHE H H 544 8.557 8.557 8.203 0.354 17519
79 1 1 . 1 1 16 16 ASN N N 545 117.559 117.559 116.128 1.431 17519
80 1 1 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.822 -0.358 17519
81 1 1 . 1 1 16 16 ASN C C 545 176.289 176.289 174.539 1.750 17519
82 1 1 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.443 2.977 17519
83 1 1 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.215 0.048 17519
84 1 1 . 1 1 16 16 ASN H H 545 8.561 8.561 8.333 0.228 17519
85 1 1 . 1 1 17 17 SER N N 546 112.901 112.901 115.318 -2.417 17519
86 1 1 . 1 1 17 17 SER HA H 546 4.862 4.862 4.864 -0.002 17519
87 1 1 . 1 1 17 17 SER CA C 546 53.586 53.586 56.241 -2.655 17519
88 1 1 . 1 1 17 17 SER CB C 546 63.708 63.708 63.412 0.296 17519
89 1 1 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.512 0.081 17519
90 1 1 . 1 1 18 18 PRO C C 547 175.806 175.806 175.482 0.324 17519
91 1 1 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.387 0.134 17519
92 1 1 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.422 0.240 17519
93 1 1 . 1 1 19 19 TYR N N 548 122.230 122.230 119.491 2.739 17519
94 1 1 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.604 0.273 17519
95 1 1 . 1 1 19 19 TYR C C 548 174.660 174.660 174.528 0.132 17519
96 1 1 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.699 -1.039 17519
97 1 1 . 1 1 19 19 TYR CB C 548 40.462 40.462 42.768 -2.306 17519
98 1 1 . 1 1 19 19 TYR H H 548 9.141 9.141 8.643 0.498 17519
99 1 1 . 1 1 20 20 ILE N N 549 118.425 118.425 120.056 -1.631 17519
100 1 1 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.954 0.118 17519
101 1 1 . 1 1 20 20 ILE C C 549 171.422 171.422 173.368 -1.946 17519
102 1 1 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.800 -0.370 17519
103 1 1 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.659 0.097 17519
104 1 1 . 1 1 21 21 HIS N N 550 133.248 133.248 127.086 6.162 17519
105 1 1 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.752 0.611 17519
106 1 1 . 1 1 21 21 HIS C C 550 174.988 174.988 173.242 1.746 17519
107 1 1 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.159 -0.244 17519
108 1 1 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.692 2.082 17519
109 1 1 . 1 1 21 21 HIS H H 550 8.956 8.956 8.350 0.606 17519
110 1 1 . 1 1 22 22 TYR N N 551 121.831 121.831 122.402 -0.571 17519
111 1 1 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.725 0.458 17519
112 1 1 . 1 1 22 22 TYR C C 551 173.934 173.934 173.461 0.473 17519
113 1 1 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.941 1.727 17519
114 1 1 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.404 1.314 17519
115 1 1 . 1 1 22 22 TYR H H 551 8.204 8.204 8.203 0.001 17519
116 1 1 . 1 1 23 23 ARG N N 552 115.619 115.619 115.733 -0.114 17519
117 1 1 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.873 -0.111 17519
118 1 1 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.757 -0.277 17519
119 1 1 . 1 1 23 23 ARG CB C 552 32.038 32.038 31.681 0.357 17519
120 1 1 . 1 1 23 23 ARG H H 552 8.674 8.674 8.979 -0.305 17519
121 1 1 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.369 0.187 17519
122 1 1 . 1 1 24 24 PRO C C 553 176.736 176.736 176.129 0.607 17519
123 1 1 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.511 -0.159 17519
124 1 1 . 1 1 24 24 PRO CB C 553 31.880 31.880 31.963 -0.083 17519
125 1 1 . 1 1 25 25 ALA N N 554 125.908 125.908 124.967 0.941 17519
126 1 1 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.755 0.267 17519
127 1 1 . 1 1 25 25 ALA C C 554 179.217 179.217 177.677 1.540 17519
128 1 1 . 1 1 25 25 ALA CA C 554 54.085 54.085 52.828 1.257 17519
129 1 1 . 1 1 25 25 ALA CB C 554 18.232 18.232 16.942 1.290 17519
130 1 1 . 1 1 25 25 ALA H H 554 8.293 8.293 8.175 0.118 17519
131 1 1 . 1 1 26 26 GLY N N 555 111.766 111.766 109.635 2.131 17519
132 1 1 . 1 1 26 26 GLY C C 555 174.796 174.796 174.064 0.732 17519
133 1 1 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.598 0.043 17519
134 1 1 . 1 1 26 26 GLY H H 555 8.602 8.602 8.210 0.392 17519
135 1 1 . 1 1 27 27 GLY N N 556 109.512 109.512 108.789 0.723 17519
136 1 1 . 1 1 27 27 GLY C C 556 173.368 173.368 172.888 0.480 17519
137 1 1 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.518 -0.312 17519
138 1 1 . 1 1 27 27 GLY H H 556 8.494 8.494 8.199 0.295 17519
139 1 1 . 1 1 28 28 SER N N 557 117.962 117.962 116.590 1.372 17519
140 1 1 . 1 1 28 28 SER HA H 557 4.690 4.690 4.605 0.085 17519
141 1 1 . 1 1 28 28 SER C C 557 173.656 173.656 173.531 0.125 17519
142 1 1 . 1 1 28 28 SER CA C 557 57.492 57.492 56.826 0.666 17519
143 1 1 . 1 1 28 28 SER CB C 557 64.803 64.803 64.924 -0.121 17519
144 1 1 . 1 1 28 28 SER H H 557 8.681 8.681 7.726 0.955 17519
145 1 1 . 1 1 29 29 TRP N N 558 123.928 123.928 126.015 -2.087 17519
146 1 1 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.771 -0.319 17519
147 1 1 . 1 1 29 29 TRP C C 558 178.891 178.891 176.650 2.241 17519
148 1 1 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.846 1.228 17519
149 1 1 . 1 1 29 29 TRP CB C 558 30.706 30.706 29.707 0.999 17519
150 1 1 . 1 1 29 29 TRP H H 558 8.392 8.392 8.648 -0.256 17519
151 1 1 . 1 1 30 30 THR N N 559 111.067 111.067 119.486 -8.419 17519
152 1 1 . 1 1 30 30 THR HA H 559 4.037 4.037 4.202 -0.165 17519
153 1 1 . 1 1 30 30 THR C C 559 174.782 174.782 174.486 0.296 17519
154 1 1 . 1 1 30 30 THR CA C 559 61.321 61.321 63.653 -2.332 17519
155 1 1 . 1 1 30 30 THR CB C 559 70.561 70.561 69.676 0.885 17519
156 1 1 . 1 1 30 30 THR H H 559 7.953 7.953 8.376 -0.423 17519
157 1 1 . 1 1 31 31 ALA N N 560 123.046 123.046 124.684 -1.638 17519
158 1 1 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.125 0.326 17519
159 1 1 . 1 1 31 31 ALA C C 560 178.493 178.493 176.779 1.714 17519
160 1 1 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.712 -0.797 17519
161 1 1 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.829 -0.830 17519
162 1 1 . 1 1 31 31 ALA H H 560 8.437 8.437 8.339 0.098 17519
163 1 1 . 1 1 32 32 ALA N N 561 129.644 129.644 127.557 2.087 17519
164 1 1 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.037 -0.096 17519
165 1 1 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.882 1.874 17519
166 1 1 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.571 -2.421 17519
167 1 1 . 1 1 32 32 ALA H H 561 8.828 8.828 8.222 0.606 17519
168 1 1 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.330 -0.432 17519
169 1 1 . 1 1 33 33 PRO C C 562 173.280 173.280 176.861 -3.581 17519
170 1 1 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.041 1.398 17519
171 1 1 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.435 0.076 17519
172 1 1 . 1 1 34 34 GLY N N 563 112.224 112.224 110.063 2.161 17519
173 1 1 . 1 1 34 34 GLY C C 563 173.977 173.977 174.332 -0.355 17519
174 1 1 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.848 -1.899 17519
175 1 1 . 1 1 34 34 GLY H H 563 8.763 8.763 7.860 0.903 17519
176 1 1 . 1 1 35 35 VAL N N 564 123.427 123.427 117.609 5.818 17519
177 1 1 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.446 -0.045 17519
178 1 1 . 1 1 35 35 VAL C C 564 174.734 174.734 174.420 0.314 17519
179 1 1 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.012 0.876 17519
180 1 1 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.645 -0.744 17519
181 1 1 . 1 1 36 36 LYS N N 565 128.212 128.212 124.477 3.735 17519
182 1 1 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.816 -0.707 17519
183 1 1 . 1 1 36 36 LYS C C 565 176.437 176.437 175.929 0.508 17519
184 1 1 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.346 1.841 17519
185 1 1 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.136 0.278 17519
186 1 1 . 1 1 36 36 LYS H H 565 8.486 8.486 8.465 0.021 17519
187 1 1 . 1 1 37 37 MET N N 566 124.964 124.964 123.646 1.318 17519
188 1 1 . 1 1 37 37 MET HA H 566 4.228 4.228 4.202 0.026 17519
189 1 1 . 1 1 37 37 MET C C 566 175.652 175.652 175.905 -0.253 17519
190 1 1 . 1 1 37 37 MET CA C 566 56.485 56.485 56.540 -0.055 17519
191 1 1 . 1 1 37 37 MET CB C 566 35.011 35.011 32.333 2.678 17519
192 1 1 . 1 1 37 37 MET H H 566 8.202 8.202 8.682 -0.480 17519
193 1 1 . 1 1 38 38 GLN N N 567 121.561 121.561 124.822 -3.261 17519
194 1 1 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.399 0.038 17519
195 1 1 . 1 1 38 38 GLN C C 567 175.809 175.809 175.779 0.030 17519
196 1 1 . 1 1 38 38 GLN CA C 567 54.822 54.822 55.030 -0.208 17519
197 1 1 . 1 1 38 38 GLN CB C 567 30.182 30.182 29.656 0.526 17519
198 1 1 . 1 1 38 38 GLN H H 567 8.489 8.489 8.186 0.303 17519
199 1 1 . 1 1 39 39 ASP N N 568 121.881 121.881 125.036 -3.155 17519
200 1 1 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.357 0.426 17519
201 1 1 . 1 1 39 39 ASP C C 568 176.715 176.715 175.257 1.458 17519
202 1 1 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.425 0.742 17519
203 1 1 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.007 -0.768 17519
204 1 1 . 1 1 39 39 ASP H H 568 8.780 8.780 8.550 0.230 17519
205 1 1 . 1 1 40 40 ALA N N 569 122.696 122.696 126.202 -3.506 17519
206 1 1 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.088 0.264 17519
207 1 1 . 1 1 40 40 ALA C C 569 175.165 175.165 177.344 -2.179 17519
208 1 1 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.770 -1.277 17519
209 1 1 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.419 1.316 17519
210 1 1 . 1 1 40 40 ALA H H 569 8.463 8.463 8.408 0.055 17519
211 1 1 . 1 1 41 41 GLU N N 570 120.083 120.083 117.673 2.410 17519
212 1 1 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.497 -0.146 17519
213 1 1 . 1 1 41 41 GLU C C 570 174.683 174.683 176.778 -2.095 17519
214 1 1 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.355 1.170 17519
215 1 1 . 1 1 41 41 GLU CB C 570 27.231 27.231 31.075 -3.844 17519
216 1 1 . 1 1 41 41 GLU H H 570 10.398 10.398 8.603 1.795 17519
217 1 1 . 1 1 42 42 ILE N N 571 119.363 119.363 120.275 -0.912 17519
218 1 1 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.123 0.256 17519
219 1 1 . 1 1 42 42 ILE C C 571 174.913 174.913 176.428 -1.515 17519
220 1 1 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.176 -3.356 17519
221 1 1 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.617 0.969 17519
222 1 1 . 1 1 42 42 ILE H H 571 6.526 6.526 7.697 -1.171 17519
223 1 1 . 1 1 43 43 SER N N 572 121.258 121.258 115.151 6.107 17519
224 1 1 . 1 1 43 43 SER HA H 572 4.352 4.352 4.619 -0.267 17519
225 1 1 . 1 1 43 43 SER C C 572 175.617 175.617 173.852 1.765 17519
226 1 1 . 1 1 43 43 SER CA C 572 60.125 60.125 58.597 1.528 17519
227 1 1 . 1 1 43 43 SER CB C 572 63.063 63.063 63.459 -0.396 17519
228 1 1 . 1 1 43 43 SER H H 572 8.618 8.618 8.218 0.400 17519
229 1 1 . 1 1 44 44 GLY N N 573 111.836 111.836 112.102 -0.266 17519
230 1 1 . 1 1 44 44 GLY C C 573 173.828 173.828 173.439 0.389 17519
231 1 1 . 1 1 44 44 GLY CA C 573 44.855 44.855 44.932 -0.077 17519
232 1 1 . 1 1 44 44 GLY H H 573 8.691 8.691 8.812 -0.121 17519
233 1 1 . 1 1 45 45 TYR N N 574 116.297 116.297 120.289 -3.992 17519
234 1 1 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.768 0.993 17519
235 1 1 . 1 1 45 45 TYR C C 574 175.520 175.520 174.380 1.140 17519
236 1 1 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.224 -0.705 17519
237 1 1 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.906 1.011 17519
238 1 1 . 1 1 45 45 TYR H H 574 7.854 7.854 7.565 0.289 17519
239 1 1 . 1 1 46 46 ALA N N 575 126.117 126.117 122.630 3.487 17519
240 1 1 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.726 0.681 17519
241 1 1 . 1 1 46 46 ALA C C 575 176.096 176.096 175.017 1.079 17519
242 1 1 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.703 -0.331 17519
243 1 1 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.884 2.482 17519
244 1 1 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.520 0.190 17519
245 1 1 . 1 1 47 47 LYS C C 576 173.794 173.794 174.521 -0.727 17519
246 1 1 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.234 0.156 17519
247 1 1 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.889 0.052 17519
248 1 1 . 1 1 48 48 ILE N N 577 120.000 120.000 120.467 -0.467 17519
249 1 1 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.727 -0.282 17519
250 1 1 . 1 1 48 48 ILE C C 577 171.242 171.242 173.344 -2.102 17519
251 1 1 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.469 0.911 17519
252 1 1 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.042 0.274 17519
253 1 1 . 1 1 48 48 ILE H H 577 8.041 8.041 8.914 -0.873 17519
254 1 1 . 1 1 49 49 THR N N 578 122.357 122.357 122.260 0.097 17519
255 1 1 . 1 1 49 49 THR HA H 578 5.344 5.344 5.436 -0.092 17519
256 1 1 . 1 1 49 49 THR C C 578 173.601 173.601 173.862 -0.261 17519
257 1 1 . 1 1 49 49 THR CA C 578 61.849 61.849 60.664 1.185 17519
258 1 1 . 1 1 49 49 THR CB C 578 70.593 70.593 70.871 -0.278 17519
259 1 1 . 1 1 49 49 THR H H 578 8.043 8.043 8.279 -0.236 17519
260 1 1 . 1 1 50 50 VAL N N 579 126.489 126.489 123.718 2.771 17519
261 1 1 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.274 -0.134 17519
262 1 1 . 1 1 50 50 VAL C C 579 174.015 174.015 174.361 -0.346 17519
263 1 1 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.383 -0.131 17519
264 1 1 . 1 1 50 50 VAL CB C 579 35.153 35.153 34.840 0.313 17519
265 1 1 . 1 1 50 50 VAL H H 579 9.349 9.349 8.512 0.837 17519
266 1 1 . 1 1 51 51 ASP N N 580 126.891 126.891 127.560 -0.669 17519
267 1 1 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.018 -0.151 17519
268 1 1 . 1 1 51 51 ASP C C 580 176.752 176.752 175.861 0.891 17519
269 1 1 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.918 -0.392 17519
270 1 1 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.118 -0.302 17519
271 1 1 . 1 1 51 51 ASP H H 580 8.616 8.616 8.587 0.029 17519
272 1 1 . 1 1 52 52 ILE N N 581 118.893 118.893 117.946 0.947 17519
273 1 1 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.609 -0.021 17519
274 1 1 . 1 1 52 52 ILE C C 581 176.717 176.717 175.418 1.299 17519
275 1 1 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.772 0.330 17519
276 1 1 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.314 -0.259 17519
277 1 1 . 1 1 52 52 ILE H H 581 8.627 8.627 8.364 0.263 17519
278 1 1 . 1 1 53 53 GLY N N 582 114.728 114.728 111.936 2.792 17519
279 1 1 . 1 1 53 53 GLY C C 582 174.442 174.442 174.108 0.334 17519
280 1 1 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.052 1.553 17519
281 1 1 . 1 1 53 53 GLY H H 582 9.075 9.075 8.805 0.270 17519
282 1 1 . 1 1 54 54 SER N N 583 120.404 120.404 112.940 7.464 17519
283 1 1 . 1 1 54 54 SER HA H 583 4.549 4.549 4.448 0.101 17519
284 1 1 . 1 1 54 54 SER C C 583 175.149 175.149 173.599 1.550 17519
285 1 1 . 1 1 54 54 SER CA C 583 58.133 58.133 58.507 -0.374 17519
286 1 1 . 1 1 54 54 SER CB C 583 63.647 63.647 63.923 -0.277 17519
287 1 1 . 1 1 54 54 SER H H 583 8.812 8.812 8.335 0.477 17519
288 1 1 . 1 1 55 55 ALA N N 584 125.527 125.527 124.917 0.610 17519
289 1 1 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.612 -0.195 17519
290 1 1 . 1 1 55 55 ALA C C 584 175.867 175.867 177.068 -1.201 17519
291 1 1 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.736 0.631 17519
292 1 1 . 1 1 55 55 ALA CB C 584 20.064 20.064 19.953 0.111 17519
293 1 1 . 1 1 55 55 ALA H H 584 7.820 7.820 7.105 0.715 17519
294 1 1 . 1 1 56 56 SER N N 585 109.786 109.786 115.389 -5.603 17519
295 1 1 . 1 1 56 56 SER HA H 585 4.564 4.564 4.506 0.058 17519
296 1 1 . 1 1 56 56 SER C C 585 173.978 173.978 173.825 0.153 17519
297 1 1 . 1 1 56 56 SER CA C 585 58.220 58.220 58.885 -0.665 17519
298 1 1 . 1 1 56 56 SER CB C 585 64.962 64.962 63.615 1.347 17519
299 1 1 . 1 1 56 56 SER H H 585 8.785 8.785 8.613 0.172 17519
300 1 1 . 1 1 57 57 GLN N N 586 116.690 116.690 118.341 -1.651 17519
301 1 1 . 1 1 57 57 GLN HA H 586 5.148 5.148 5.231 -0.083 17519
302 1 1 . 1 1 57 57 GLN C C 586 172.923 172.923 173.367 -0.444 17519
303 1 1 . 1 1 57 57 GLN CA C 586 53.996 53.996 54.695 -0.699 17519
304 1 1 . 1 1 57 57 GLN CB C 586 34.540 34.540 33.092 1.448 17519
305 1 1 . 1 1 57 57 GLN H H 586 7.144 7.144 7.603 -0.459 17519
306 1 1 . 1 1 58 58 LEU N N 587 123.011 123.011 123.506 -0.495 17519
307 1 1 . 1 1 58 58 LEU HA H 587 4.668 4.668 4.994 -0.326 17519
308 1 1 . 1 1 58 58 LEU C C 587 173.426 173.426 174.038 -0.612 17519
309 1 1 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.633 -0.255 17519
310 1 1 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.337 1.321 17519
311 1 1 . 1 1 58 58 LEU H H 587 9.226 9.226 9.188 0.038 17519
312 1 1 . 1 1 59 59 GLU N N 588 129.185 129.185 123.310 5.875 17519
313 1 1 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.180 0.129 17519
314 1 1 . 1 1 59 59 GLU C C 588 175.409 175.409 174.632 0.777 17519
315 1 1 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.457 1.193 17519
316 1 1 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.434 -0.386 17519
317 1 1 . 1 1 59 59 GLU H H 588 8.830 8.830 8.379 0.451 17519
318 1 1 . 1 1 60 60 ALA N N 589 126.011 126.011 124.675 1.336 17519
319 1 1 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.371 0.532 17519
320 1 1 . 1 1 60 60 ALA C C 589 174.861 174.861 175.413 -0.552 17519
321 1 1 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.048 0.099 17519
322 1 1 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.056 1.801 17519
323 1 1 . 1 1 60 60 ALA H H 589 9.748 9.748 8.102 1.646 17519
324 1 1 . 1 1 61 61 ALA N N 590 120.783 120.783 123.034 -2.251 17519
325 1 1 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.062 -0.245 17519
326 1 1 . 1 1 61 61 ALA C C 590 174.731 174.731 175.414 -0.683 17519
327 1 1 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.031 1.097 17519
328 1 1 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.620 0.480 17519
329 1 1 . 1 1 61 61 ALA H H 590 9.392 9.392 8.917 0.475 17519
330 1 1 . 1 1 62 62 PHE N N 591 116.572 116.572 118.522 -1.950 17519
331 1 1 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.933 1.074 17519
332 1 1 . 1 1 62 62 PHE C C 591 175.059 175.059 174.106 0.953 17519
333 1 1 . 1 1 62 62 PHE CA C 591 56.456 56.456 55.682 0.774 17519
334 1 1 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.758 0.565 17519
335 1 1 . 1 1 62 62 PHE H H 591 8.394 8.394 8.526 -0.132 17519
336 1 1 . 1 1 63 63 ASN N N 592 116.166 116.166 120.152 -3.986 17519
337 1 1 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.354 -0.190 17519
338 1 1 . 1 1 63 63 ASN C C 592 172.073 172.073 175.139 -3.066 17519
339 1 1 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.947 1.780 17519
340 1 1 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.097 0.135 17519
341 1 1 . 1 1 63 63 ASN H H 592 9.117 9.117 8.887 0.230 17519
342 1 1 . 1 1 64 64 ASP N N 593 118.039 118.039 122.936 -4.897 17519
343 1 1 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.419 -0.200 17519
344 1 1 . 1 1 64 64 ASP C C 593 177.248 177.248 177.601 -0.353 17519
345 1 1 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.246 -2.995 17519
346 1 1 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.509 0.213 17519
347 1 1 . 1 1 64 64 ASP H H 593 7.558 7.558 8.631 -1.073 17519
348 1 1 . 1 1 65 65 GLY N N 594 110.622 110.622 105.560 5.062 17519
349 1 1 . 1 1 65 65 GLY C C 594 173.126 173.126 173.541 -0.415 17519
350 1 1 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.358 0.170 17519
351 1 1 . 1 1 65 65 GLY H H 594 8.742 8.742 8.268 0.474 17519
352 1 1 . 1 1 66 66 ASN N N 595 120.863 120.863 118.369 2.494 17519
353 1 1 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.833 -0.076 17519
354 1 1 . 1 1 66 66 ASN C C 595 174.434 174.434 173.795 0.639 17519
355 1 1 . 1 1 66 66 ASN CA C 595 52.167 52.167 52.759 -0.592 17519
356 1 1 . 1 1 66 66 ASN CB C 595 39.388 39.388 39.209 0.179 17519
357 1 1 . 1 1 66 66 ASN H H 595 8.424 8.424 7.790 0.634 17519
358 1 1 . 1 1 67 67 ASN N N 596 113.308 113.308 116.716 -3.408 17519
359 1 1 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.614 -0.384 17519
360 1 1 . 1 1 67 67 ASN C C 596 173.796 173.796 174.318 -0.522 17519
361 1 1 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.253 0.172 17519
362 1 1 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.375 0.778 17519
363 1 1 . 1 1 67 67 ASN H H 596 8.744 8.744 8.640 0.104 17519
364 1 1 . 1 1 68 68 ASN N N 597 118.418 118.418 118.343 0.075 17519
365 1 1 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.969 0.149 17519
366 1 1 . 1 1 68 68 ASN C C 597 173.474 173.474 173.881 -0.407 17519
367 1 1 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.428 0.709 17519
368 1 1 . 1 1 68 68 ASN CB C 597 38.622 38.622 37.751 0.871 17519
369 1 1 . 1 1 68 68 ASN H H 597 8.032 8.032 8.283 -0.251 17519
370 1 1 . 1 1 69 69 TRP N N 598 120.990 120.990 122.036 -1.046 17519
371 1 1 . 1 1 69 69 TRP HA H 598 4.856 4.856 4.921 -0.065 17519
372 1 1 . 1 1 69 69 TRP C C 598 176.220 176.220 176.736 -0.516 17519
373 1 1 . 1 1 69 69 TRP CA C 598 57.233 57.233 57.138 0.095 17519
374 1 1 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.760 1.459 17519
375 1 1 . 1 1 69 69 TRP H H 598 8.842 8.842 8.282 0.560 17519
376 1 1 . 1 1 70 70 ASP N N 599 122.210 122.210 120.967 1.243 17519
377 1 1 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.977 0.270 17519
378 1 1 . 1 1 70 70 ASP CA C 599 53.246 53.246 52.722 0.524 17519
379 1 1 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.623 0.275 17519
380 1 1 . 1 1 70 70 ASP H H 599 9.831 9.831 8.929 0.902 17519
381 1 1 . 1 1 71 71 SER N N 600 117.252 117.252 117.244 0.008 17519
382 1 1 . 1 1 71 71 SER HA H 600 5.141 5.141 4.309 0.832 17519
383 1 1 . 1 1 71 71 SER CA C 600 55.907 55.907 60.937 -5.029 17519
384 1 1 . 1 1 71 71 SER H H 600 9.328 9.328 8.749 0.579 17519
385 1 1 . 1 1 72 72 ASN N N 601 123.197 123.197 114.243 8.954 17519
386 1 1 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.832 -0.403 17519
387 1 1 . 1 1 72 72 ASN C C 601 176.895 176.895 174.487 2.408 17519
388 1 1 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.692 -0.599 17519
389 1 1 . 1 1 72 72 ASN CB C 601 39.150 39.150 37.723 1.427 17519
390 1 1 . 1 1 72 72 ASN H H 601 8.715 8.715 8.286 0.429 17519
391 1 1 . 1 1 73 73 ASN N N 602 116.099 116.099 118.122 -2.023 17519
392 1 1 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.998 -0.554 17519
393 1 1 . 1 1 73 73 ASN C C 602 176.304 176.304 174.568 1.736 17519
394 1 1 . 1 1 73 73 ASN CA C 602 54.465 54.465 53.523 0.942 17519
395 1 1 . 1 1 73 73 ASN CB C 602 37.277 37.277 40.438 -3.161 17519
396 1 1 . 1 1 73 73 ASN H H 602 9.184 9.184 8.503 0.681 17519
397 1 1 . 1 1 74 74 THR N N 603 110.445 110.445 113.118 -2.673 17519
398 1 1 . 1 1 74 74 THR HA H 603 3.835 3.835 4.365 -0.530 17519
399 1 1 . 1 1 74 74 THR C C 603 173.186 173.186 174.087 -0.901 17519
400 1 1 . 1 1 74 74 THR CA C 603 65.006 65.006 62.515 2.491 17519
401 1 1 . 1 1 74 74 THR CB C 603 69.653 69.653 69.949 -0.296 17519
402 1 1 . 1 1 74 74 THR H H 603 7.829 7.829 7.781 0.048 17519
403 1 1 . 1 1 75 75 LYS N N 604 121.909 121.909 120.453 1.456 17519
404 1 1 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.289 -0.152 17519
405 1 1 . 1 1 75 75 LYS C C 604 177.262 177.262 174.245 3.017 17519
406 1 1 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.648 1.119 17519
407 1 1 . 1 1 75 75 LYS CB C 604 32.376 32.376 34.509 -2.133 17519
408 1 1 . 1 1 75 75 LYS H H 604 7.714 7.714 8.061 -0.347 17519
409 1 1 . 1 1 76 76 ASN N N 605 108.823 108.823 113.171 -4.348 17519
410 1 1 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.851 -0.911 17519
411 1 1 . 1 1 76 76 ASN C C 605 171.742 171.742 174.049 -2.307 17519
412 1 1 . 1 1 76 76 ASN CA C 605 54.159 54.159 52.443 1.716 17519
413 1 1 . 1 1 76 76 ASN CB C 605 39.027 39.027 41.450 -2.423 17519
414 1 1 . 1 1 76 76 ASN H H 605 8.274 8.274 7.722 0.552 17519
415 1 1 . 1 1 77 77 TYR N N 606 117.628 117.628 118.127 -0.499 17519
416 1 1 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.694 0.133 17519
417 1 1 . 1 1 77 77 TYR C C 606 174.468 174.468 174.321 0.147 17519
418 1 1 . 1 1 77 77 TYR CA C 606 57.569 57.569 56.553 1.016 17519
419 1 1 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.225 0.330 17519
420 1 1 . 1 1 77 77 TYR H H 606 9.055 9.055 8.437 0.618 17519
421 1 1 . 1 1 78 78 LEU N N 607 121.811 121.811 120.257 1.554 17519
422 1 1 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.237 1.066 17519
423 1 1 . 1 1 78 78 LEU C C 607 175.673 175.673 175.594 0.079 17519
424 1 1 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.430 -1.186 17519
425 1 1 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.784 1.187 17519
426 1 1 . 1 1 78 78 LEU H H 607 7.983 7.983 8.338 -0.355 17519
427 1 1 . 1 1 79 79 PHE N N 608 121.390 121.390 122.890 -1.500 17519
428 1 1 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.824 0.003 17519
429 1 1 . 1 1 79 79 PHE C C 608 175.786 175.786 175.081 0.705 17519
430 1 1 . 1 1 79 79 PHE CA C 608 56.851 56.851 55.687 1.164 17519
431 1 1 . 1 1 79 79 PHE CB C 608 42.563 42.563 41.707 0.856 17519
432 1 1 . 1 1 79 79 PHE H H 608 9.240 9.240 8.965 0.275 17519
433 1 1 . 1 1 80 80 SER N N 609 117.589 117.589 115.756 1.833 17519
434 1 1 . 1 1 80 80 SER HA H 609 4.979 4.979 4.817 0.162 17519
435 1 1 . 1 1 80 80 SER C C 609 173.269 173.269 174.629 -1.360 17519
436 1 1 . 1 1 80 80 SER CA C 609 57.811 57.811 56.041 1.770 17519
437 1 1 . 1 1 80 80 SER CB C 609 64.856 64.856 64.999 -0.143 17519
438 1 1 . 1 1 80 80 SER H H 609 8.948 8.948 8.582 0.366 17519
439 1 1 . 1 1 81 81 THR N N 610 112.845 112.845 114.162 -1.317 17519
440 1 1 . 1 1 81 81 THR HA H 610 3.871 3.871 4.232 -0.361 17519
441 1 1 . 1 1 81 81 THR C C 610 174.439 174.439 175.326 -0.887 17519
442 1 1 . 1 1 81 81 THR CA C 610 64.353 64.353 63.422 0.931 17519
443 1 1 . 1 1 81 81 THR CB C 610 69.421 69.421 69.335 0.086 17519
444 1 1 . 1 1 82 82 GLY N N 611 112.157 112.157 111.373 0.784 17519
445 1 1 . 1 1 82 82 GLY C C 611 174.430 174.430 172.842 1.588 17519
446 1 1 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.639 -0.773 17519
447 1 1 . 1 1 82 82 GLY H H 611 8.468 8.468 8.084 0.384 17519
448 1 1 . 1 1 83 83 THR N N 612 120.992 120.992 120.206 0.786 17519
449 1 1 . 1 1 83 83 THR HA H 612 5.483 5.483 4.790 0.693 17519
450 1 1 . 1 1 83 83 THR C C 612 174.819 174.819 173.713 1.106 17519
451 1 1 . 1 1 83 83 THR CA C 612 62.563 62.563 61.821 0.742 17519
452 1 1 . 1 1 83 83 THR CB C 612 70.093 70.093 70.218 -0.124 17519
453 1 1 . 1 1 83 83 THR H H 612 8.736 8.736 8.266 0.470 17519
454 1 1 . 1 1 84 84 SER N N 613 122.602 122.602 121.778 0.824 17519
455 1 1 . 1 1 84 84 SER HA H 613 5.489 5.489 4.889 0.600 17519
456 1 1 . 1 1 84 84 SER C C 613 172.064 172.064 172.875 -0.811 17519
457 1 1 . 1 1 84 84 SER CA C 613 58.813 58.813 57.527 1.286 17519
458 1 1 . 1 1 84 84 SER CB C 613 67.694 67.694 66.825 0.869 17519
459 1 1 . 1 1 84 84 SER H H 613 9.051 9.051 9.108 -0.057 17519
460 1 1 . 1 1 85 85 THR N N 614 117.759 117.759 118.394 -0.635 17519
461 1 1 . 1 1 85 85 THR HA H 614 5.256 5.256 5.079 0.177 17519
462 1 1 . 1 1 85 85 THR C C 614 173.632 173.632 172.907 0.725 17519
463 1 1 . 1 1 85 85 THR CA C 614 62.724 62.724 61.821 0.903 17519
464 1 1 . 1 1 85 85 THR CB C 614 70.908 70.908 71.201 -0.293 17519
465 1 1 . 1 1 85 85 THR H H 614 9.523 9.523 8.615 0.908 17519
466 1 1 . 1 1 86 86 TYR N N 615 131.519 131.519 129.168 2.351 17519
467 1 1 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.935 0.278 17519
468 1 1 . 1 1 86 86 TYR C C 615 172.999 172.999 174.588 -1.589 17519
469 1 1 . 1 1 86 86 TYR CA C 615 57.163 57.163 55.594 1.569 17519
470 1 1 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.311 1.258 17519
471 1 1 . 1 1 86 86 TYR H H 615 10.029 10.029 9.391 0.638 17519
472 1 1 . 1 1 87 87 THR N N 616 124.674 124.674 123.541 1.133 17519
473 1 1 . 1 1 87 87 THR HA H 616 4.370 4.370 5.005 -0.635 17519
474 1 1 . 1 1 87 87 THR CA C 616 58.725 58.725 59.366 -0.641 17519
475 1 1 . 1 1 87 87 THR CB C 616 70.070 70.070 71.036 -0.966 17519
476 1 1 . 1 1 87 87 THR H H 616 8.027 8.027 9.611 -1.584 17519
477 1 1 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.628 -0.536 17519
478 1 1 . 1 1 88 88 PRO C C 617 177.011 177.011 177.327 -0.316 17519
479 1 1 . 1 1 88 88 PRO CA C 617 62.887 62.887 63.613 -0.726 17519
480 1 1 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.081 0.243 17519
481 1 1 . 1 1 89 89 GLY N N 618 108.881 108.881 106.633 2.248 17519
482 1 1 . 1 1 89 89 GLY C C 618 173.673 173.673 174.196 -0.523 17519
483 1 1 . 1 1 89 89 GLY CA C 618 43.996 43.996 45.183 -1.187 17519
484 1 1 . 1 1 89 89 GLY H H 618 8.261 8.261 7.987 0.274 17519
485 1 1 . 1 1 90 90 SER N N 619 114.743 114.743 115.600 -0.857 17519
486 1 1 . 1 1 90 90 SER HA H 619 4.537 4.537 4.490 0.047 17519
487 1 1 . 1 1 90 90 SER C C 619 175.706 175.706 175.199 0.507 17519
488 1 1 . 1 1 90 90 SER CA C 619 57.617 57.617 58.790 -1.173 17519
489 1 1 . 1 1 90 90 SER CB C 619 64.294 64.294 63.941 0.353 17519
490 1 1 . 1 1 90 90 SER H H 619 8.380 8.380 8.647 -0.267 17519
491 1 1 . 1 1 91 91 ASN N N 620 121.360 121.360 120.661 0.699 17519
492 1 1 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.681 -0.269 17519
493 1 1 . 1 1 91 91 ASN C C 620 175.289 175.289 176.903 -1.614 17519
494 1 1 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.457 0.896 17519
495 1 1 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.502 -0.769 17519
496 1 1 . 1 1 91 91 ASN H H 620 9.296 9.296 7.999 1.297 17519
497 1 1 . 1 1 92 92 GLY N N 621 105.883 105.883 107.677 -1.794 17519
498 1 1 . 1 1 92 92 GLY C C 621 174.510 174.510 173.105 1.405 17519
499 1 1 . 1 1 92 92 GLY CA C 621 45.229 45.229 44.648 0.581 17519
500 1 1 . 1 1 92 92 GLY H H 621 8.528 8.528 8.454 0.074 17519
501 1 1 . 1 1 93 93 ALA N N 622 123.803 123.803 123.484 0.319 17519
502 1 1 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.640 -0.224 17519
503 1 1 . 1 1 93 93 ALA C C 622 176.820 176.820 175.487 1.333 17519
504 1 1 . 1 1 93 93 ALA CA C 622 51.851 51.851 51.287 0.564 17519
505 1 1 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.004 -0.200 17519
506 1 1 . 1 1 93 93 ALA H H 622 7.486 7.486 7.395 0.091 17519
507 1 1 . 1 1 94 94 ALA N N 623 123.284 123.284 127.548 -4.264 17519
508 1 1 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.548 0.042 17519
509 1 1 . 1 1 94 94 ALA C C 623 178.770 178.770 177.761 1.009 17519
510 1 1 . 1 1 94 94 ALA CA C 623 52.627 52.627 51.130 1.497 17519
511 1 1 . 1 1 94 94 ALA CB C 623 20.087 20.087 18.857 1.230 17519
512 1 1 . 1 1 94 94 ALA H H 623 8.397 8.397 8.471 -0.074 17519
513 1 1 . 1 1 95 95 GLY N N 624 108.970 108.970 114.541 -5.571 17519
514 1 1 . 1 1 95 95 GLY C C 624 173.156 173.156 174.362 -1.206 17519
515 1 1 . 1 1 95 95 GLY CA C 624 44.857 44.857 46.050 -1.193 17519
516 1 1 . 1 1 95 95 GLY H H 624 8.438 8.438 8.226 0.212 17519
517 1 1 . 1 1 96 96 THR N N 625 108.929 108.929 115.124 -6.195 17519
518 1 1 . 1 1 96 96 THR HA H 625 4.603 4.603 4.630 -0.027 17519
519 1 1 . 1 1 96 96 THR C C 625 172.765 172.765 172.481 0.284 17519
520 1 1 . 1 1 96 96 THR CA C 625 60.350 60.350 60.294 0.056 17519
521 1 1 . 1 1 96 96 THR CB C 625 72.295 72.295 72.300 -0.006 17519
522 1 1 . 1 1 96 96 THR H H 625 7.833 7.833 9.099 -1.266 17519
523 1 1 . 1 1 97 97 ILE N N 626 123.623 123.623 121.192 2.431 17519
524 1 1 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.244 -0.427 17519
525 1 1 . 1 1 97 97 ILE C C 626 175.596 175.596 175.386 0.210 17519
526 1 1 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.613 1.436 17519
527 1 1 . 1 1 97 97 ILE CB C 626 41.178 41.178 40.319 0.859 17519
528 1 1 . 1 1 97 97 ILE H H 626 8.594 8.594 8.351 0.243 17519
529 1 1 . 1 1 98 98 ARG N N 627 127.431 127.431 127.855 -0.424 17519
530 1 1 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.708 0.227 17519
531 1 1 . 1 1 98 98 ARG C C 627 175.183 175.183 175.155 0.028 17519
532 1 1 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.090 -0.322 17519
533 1 1 . 1 1 98 98 ARG CB C 627 33.776 33.776 33.027 0.749 17519
534 1 1 . 1 1 98 98 ARG H H 627 8.979 8.979 9.058 -0.079 17519
535 1 1 . 1 1 99 99 THR N N 628 118.452 118.452 118.850 -0.398 17519
536 1 1 . 1 1 99 99 THR HA H 628 4.410 4.410 4.437 -0.027 17519
537 1 1 . 1 1 99 99 THR C C 628 174.845 174.845 175.065 -0.220 17519
538 1 1 . 1 1 99 99 THR CA C 628 63.962 63.962 61.756 2.206 17519
539 1 1 . 1 1 99 99 THR CB C 628 69.488 69.488 69.009 0.479 17519
540 1 1 . 1 1 99 99 THR H H 628 8.697 8.697 8.420 0.277 17519
541 1 1 . 1 1 100 100 GLY N N 629 114.137 114.137 110.102 4.035 17519
542 1 1 . 1 1 100 100 GLY C C 629 171.903 171.903 172.858 -0.955 17519
543 1 1 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.369 -0.622 17519
544 1 1 . 1 1 100 100 GLY H H 629 8.626 8.626 8.153 0.473 17519
545 1 1 . 1 1 101 101 ALA N N 630 120.627 120.627 125.144 -4.517 17519
546 1 1 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.206 -0.514 17519
547 1 1 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.913 -1.485 17519
548 1 1 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.726 -0.655 17519
549 1 1 . 1 1 101 101 ALA H H 630 7.980 7.980 8.263 -0.283 17519
550 1 1 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.448 -0.323 17519
551 1 1 . 1 1 102 102 PRO C C 631 175.721 175.721 175.992 -0.271 17519
552 1 1 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.484 0.456 17519
553 1 1 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.365 -0.620 17519
554 1 1 . 1 1 103 103 SER N N 632 113.689 113.689 117.493 -3.804 17519
555 1 1 . 1 1 103 103 SER HA H 632 4.295 4.295 4.341 -0.046 17519
556 1 1 . 1 1 103 103 SER C C 632 173.816 173.816 174.136 -0.320 17519
557 1 1 . 1 1 103 103 SER CA C 632 57.689 57.689 58.156 -0.467 17519
558 1 1 . 1 1 103 103 SER CB C 632 64.133 64.133 62.858 1.275 17519
559 1 1 . 1 1 103 103 SER H H 632 7.969 7.969 8.354 -0.385 17519
560 1 2 . 1 1 2 2 GLY C C 531 174.309 174.309 173.476 0.833 17519
561 1 2 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.797 0.379 17519
562 1 2 . 1 1 3 3 THR N N 532 113.802 113.802 113.459 0.343 17519
563 1 2 . 1 1 3 3 THR HA H 532 4.429 4.429 4.106 0.323 17519
564 1 2 . 1 1 3 3 THR C C 532 174.430 174.430 175.021 -0.591 17519
565 1 2 . 1 1 3 3 THR CA C 532 61.577 61.577 62.108 -0.531 17519
566 1 2 . 1 1 3 3 THR CB C 532 69.849 69.849 69.445 0.404 17519
567 1 2 . 1 1 3 3 THR H H 532 8.140 8.140 7.971 0.169 17519
568 1 2 . 1 1 4 4 THR N N 533 115.407 115.407 118.315 -2.908 17519
569 1 2 . 1 1 4 4 THR HA H 533 4.350 4.350 4.230 0.120 17519
570 1 2 . 1 1 4 4 THR C C 533 173.831 173.831 174.103 -0.272 17519
571 1 2 . 1 1 4 4 THR CA C 533 60.266 60.266 63.094 -2.828 17519
572 1 2 . 1 1 4 4 THR CB C 533 69.788 69.788 69.502 0.286 17519
573 1 2 . 1 1 4 4 THR H H 533 8.019 8.019 8.411 -0.392 17519
574 1 2 . 1 1 5 5 ASN N N 534 121.822 121.822 124.633 -2.811 17519
575 1 2 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.783 0.053 17519
576 1 2 . 1 1 5 5 ASN C C 534 174.057 174.057 174.717 -0.660 17519
577 1 2 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.086 0.600 17519
578 1 2 . 1 1 5 5 ASN CB C 534 39.156 39.156 41.281 -2.124 17519
579 1 2 . 1 1 5 5 ASN H H 534 8.863 8.863 8.512 0.351 17519
580 1 2 . 1 1 6 6 LYS N N 535 119.369 119.369 117.683 1.686 17519
581 1 2 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.955 0.230 17519
582 1 2 . 1 1 6 6 LYS C C 535 175.924 175.924 174.985 0.939 17519
583 1 2 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.059 -0.528 17519
584 1 2 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.475 -0.459 17519
585 1 2 . 1 1 6 6 LYS H H 535 8.347 8.347 8.331 0.016 17519
586 1 2 . 1 1 7 7 VAL N N 536 123.112 123.112 118.081 5.031 17519
587 1 2 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.635 -0.062 17519
588 1 2 . 1 1 7 7 VAL C C 536 174.602 174.602 174.395 0.207 17519
589 1 2 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.555 0.590 17519
590 1 2 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.536 2.237 17519
591 1 2 . 1 1 7 7 VAL H H 536 8.828 8.828 8.926 -0.098 17519
592 1 2 . 1 1 8 8 THR N N 537 125.255 125.255 125.014 0.241 17519
593 1 2 . 1 1 8 8 THR HA H 537 5.396 5.396 5.430 -0.034 17519
594 1 2 . 1 1 8 8 THR C C 537 173.129 173.129 174.011 -0.882 17519
595 1 2 . 1 1 8 8 THR CA C 537 61.611 61.611 62.668 -1.057 17519
596 1 2 . 1 1 8 8 THR CB C 537 70.113 70.113 70.167 -0.054 17519
597 1 2 . 1 1 8 8 THR H H 537 8.914 8.914 8.085 0.829 17519
598 1 2 . 1 1 9 9 VAL N N 538 126.696 126.696 126.675 0.021 17519
599 1 2 . 1 1 9 9 VAL HA H 538 4.534 4.534 5.031 -0.497 17519
600 1 2 . 1 1 9 9 VAL C C 538 175.565 175.565 174.674 0.891 17519
601 1 2 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.903 -0.024 17519
602 1 2 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.765 0.414 17519
603 1 2 . 1 1 9 9 VAL H H 538 8.585 8.585 8.858 -0.273 17519
604 1 2 . 1 1 10 10 TYR N N 539 124.488 124.488 127.214 -2.726 17519
605 1 2 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.449 -0.191 17519
606 1 2 . 1 1 10 10 TYR C C 539 174.309 174.309 175.092 -0.783 17519
607 1 2 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.801 0.465 17519
608 1 2 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.791 -0.381 17519
609 1 2 . 1 1 10 10 TYR H H 539 9.111 9.111 9.305 -0.194 17519
610 1 2 . 1 1 11 11 TYR N N 540 125.848 125.848 126.879 -1.031 17519
611 1 2 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.584 -0.558 17519
612 1 2 . 1 1 11 11 TYR C C 540 173.346 173.346 173.861 -0.515 17519
613 1 2 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.365 1.237 17519
614 1 2 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.781 0.177 17519
615 1 2 . 1 1 11 11 TYR H H 540 9.580 9.580 8.972 0.608 17519
616 1 2 . 1 1 12 12 LYS N N 541 131.489 131.489 127.557 3.932 17519
617 1 2 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.446 0.006 17519
618 1 2 . 1 1 12 12 LYS C C 541 172.904 172.904 174.684 -1.780 17519
619 1 2 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.913 0.802 17519
620 1 2 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.688 0.409 17519
621 1 2 . 1 1 12 12 LYS H H 541 8.406 8.406 7.677 0.729 17519
622 1 2 . 1 1 13 13 LYS N N 542 125.132 125.132 127.212 -2.080 17519
623 1 2 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.985 -0.047 17519
624 1 2 . 1 1 13 13 LYS C C 542 180.078 180.078 175.802 4.276 17519
625 1 2 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.809 -4.373 17519
626 1 2 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.683 -1.078 17519
627 1 2 . 1 1 13 13 LYS H H 542 7.515 7.515 7.523 -0.008 17519
628 1 2 . 1 1 14 14 GLY N N 543 112.724 112.724 112.569 0.155 17519
629 1 2 . 1 1 14 14 GLY C C 543 174.151 174.151 173.015 1.136 17519
630 1 2 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.521 1.769 17519
631 1 2 . 1 1 14 14 GLY H H 543 7.629 7.629 7.992 -0.363 17519
632 1 2 . 1 1 15 15 PHE N N 544 121.583 121.583 120.720 0.863 17519
633 1 2 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.829 -0.107 17519
634 1 2 . 1 1 15 15 PHE C C 544 175.876 175.876 176.648 -0.772 17519
635 1 2 . 1 1 15 15 PHE CA C 544 57.110 57.110 60.634 -3.524 17519
636 1 2 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.310 -1.919 17519
637 1 2 . 1 1 15 15 PHE H H 544 8.557 8.557 8.836 -0.279 17519
638 1 2 . 1 1 16 16 ASN N N 545 117.559 117.559 115.242 2.317 17519
639 1 2 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.781 -0.317 17519
640 1 2 . 1 1 16 16 ASN C C 545 176.289 176.289 174.277 2.012 17519
641 1 2 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.522 2.898 17519
642 1 2 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.330 -0.067 17519
643 1 2 . 1 1 16 16 ASN H H 545 8.561 8.561 8.508 0.053 17519
644 1 2 . 1 1 17 17 SER N N 546 112.901 112.901 114.721 -1.820 17519
645 1 2 . 1 1 17 17 SER HA H 546 4.862 4.862 4.827 0.035 17519
646 1 2 . 1 1 17 17 SER CA C 546 53.586 53.586 56.376 -2.790 17519
647 1 2 . 1 1 17 17 SER CB C 546 63.708 63.708 63.769 -0.061 17519
648 1 2 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.466 0.127 17519
649 1 2 . 1 1 18 18 PRO C C 547 175.806 175.806 175.101 0.705 17519
650 1 2 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.373 0.148 17519
651 1 2 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.539 0.124 17519
652 1 2 . 1 1 19 19 TYR N N 548 122.230 122.230 119.945 2.285 17519
653 1 2 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.487 0.390 17519
654 1 2 . 1 1 19 19 TYR C C 548 174.660 174.660 174.567 0.093 17519
655 1 2 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.232 -0.572 17519
656 1 2 . 1 1 19 19 TYR CB C 548 40.462 40.462 42.931 -2.469 17519
657 1 2 . 1 1 19 19 TYR H H 548 9.141 9.141 8.726 0.415 17519
658 1 2 . 1 1 20 20 ILE N N 549 118.425 118.425 116.862 1.563 17519
659 1 2 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.645 0.427 17519
660 1 2 . 1 1 20 20 ILE C C 549 171.422 171.422 173.256 -1.834 17519
661 1 2 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.497 -0.068 17519
662 1 2 . 1 1 20 20 ILE CB C 549 41.756 41.756 40.971 0.785 17519
663 1 2 . 1 1 21 21 HIS N N 550 133.248 133.248 126.286 6.962 17519
664 1 2 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.686 0.677 17519
665 1 2 . 1 1 21 21 HIS C C 550 174.988 174.988 173.445 1.543 17519
666 1 2 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.097 -0.182 17519
667 1 2 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.470 2.304 17519
668 1 2 . 1 1 21 21 HIS H H 550 8.956 8.956 8.222 0.734 17519
669 1 2 . 1 1 22 22 TYR N N 551 121.831 121.831 122.726 -0.895 17519
670 1 2 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.230 0.953 17519
671 1 2 . 1 1 22 22 TYR C C 551 173.934 173.934 173.390 0.544 17519
672 1 2 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.700 1.968 17519
673 1 2 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.306 1.412 17519
674 1 2 . 1 1 22 22 TYR H H 551 8.204 8.204 8.177 0.027 17519
675 1 2 . 1 1 23 23 ARG N N 552 115.619 115.619 118.407 -2.788 17519
676 1 2 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.695 0.067 17519
677 1 2 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.957 -0.477 17519
678 1 2 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.465 -1.427 17519
679 1 2 . 1 1 23 23 ARG H H 552 8.674 8.674 8.889 -0.215 17519
680 1 2 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.466 0.090 17519
681 1 2 . 1 1 24 24 PRO C C 553 176.736 176.736 176.438 0.298 17519
682 1 2 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.260 0.092 17519
683 1 2 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.418 -0.538 17519
684 1 2 . 1 1 25 25 ALA N N 554 125.908 125.908 124.839 1.069 17519
685 1 2 . 1 1 25 25 ALA HA H 554 4.022 4.022 4.261 -0.239 17519
686 1 2 . 1 1 25 25 ALA C C 554 179.217 179.217 176.836 2.381 17519
687 1 2 . 1 1 25 25 ALA CA C 554 54.085 54.085 51.725 2.360 17519
688 1 2 . 1 1 25 25 ALA CB C 554 18.232 18.232 16.947 1.285 17519
689 1 2 . 1 1 25 25 ALA H H 554 8.293 8.293 8.437 -0.144 17519
690 1 2 . 1 1 26 26 GLY N N 555 111.766 111.766 108.067 3.699 17519
691 1 2 . 1 1 26 26 GLY C C 555 174.796 174.796 173.752 1.044 17519
692 1 2 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.059 0.582 17519
693 1 2 . 1 1 26 26 GLY H H 555 8.602 8.602 8.016 0.586 17519
694 1 2 . 1 1 27 27 GLY N N 556 109.512 109.512 108.675 0.837 17519
695 1 2 . 1 1 27 27 GLY C C 556 173.368 173.368 173.160 0.208 17519
696 1 2 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.579 -1.373 17519
697 1 2 . 1 1 27 27 GLY H H 556 8.494 8.494 7.676 0.818 17519
698 1 2 . 1 1 28 28 SER N N 557 117.962 117.962 114.078 3.884 17519
699 1 2 . 1 1 28 28 SER HA H 557 4.690 4.690 4.506 0.184 17519
700 1 2 . 1 1 28 28 SER C C 557 173.656 173.656 172.369 1.287 17519
701 1 2 . 1 1 28 28 SER CA C 557 57.492 57.492 57.060 0.432 17519
702 1 2 . 1 1 28 28 SER CB C 557 64.803 64.803 64.271 0.532 17519
703 1 2 . 1 1 28 28 SER H H 557 8.681 8.681 7.736 0.945 17519
704 1 2 . 1 1 29 29 TRP N N 558 123.928 123.928 121.253 2.675 17519
705 1 2 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.731 -0.279 17519
706 1 2 . 1 1 29 29 TRP C C 558 178.891 178.891 176.858 2.033 17519
707 1 2 . 1 1 29 29 TRP CA C 558 58.074 58.074 57.119 0.955 17519
708 1 2 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.657 0.049 17519
709 1 2 . 1 1 29 29 TRP H H 558 8.392 8.392 8.537 -0.145 17519
710 1 2 . 1 1 30 30 THR N N 559 111.067 111.067 118.974 -7.907 17519
711 1 2 . 1 1 30 30 THR HA H 559 4.037 4.037 4.488 -0.451 17519
712 1 2 . 1 1 30 30 THR C C 559 174.782 174.782 174.472 0.310 17519
713 1 2 . 1 1 30 30 THR CA C 559 61.321 61.321 62.491 -1.170 17519
714 1 2 . 1 1 30 30 THR CB C 559 70.561 70.561 70.081 0.480 17519
715 1 2 . 1 1 30 30 THR H H 559 7.953 7.953 8.757 -0.804 17519
716 1 2 . 1 1 31 31 ALA N N 560 123.046 123.046 124.451 -1.405 17519
717 1 2 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.202 0.249 17519
718 1 2 . 1 1 31 31 ALA C C 560 178.493 178.493 176.643 1.850 17519
719 1 2 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.326 -0.412 17519
720 1 2 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.547 -0.548 17519
721 1 2 . 1 1 31 31 ALA H H 560 8.437 8.437 8.451 -0.014 17519
722 1 2 . 1 1 32 32 ALA N N 561 129.644 129.644 127.817 1.827 17519
723 1 2 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.969 -0.028 17519
724 1 2 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.999 1.757 17519
725 1 2 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.419 -2.269 17519
726 1 2 . 1 1 32 32 ALA H H 561 8.828 8.828 8.197 0.631 17519
727 1 2 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.299 -0.401 17519
728 1 2 . 1 1 33 33 PRO C C 562 173.280 173.280 176.788 -3.508 17519
729 1 2 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.024 1.415 17519
730 1 2 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.428 0.083 17519
731 1 2 . 1 1 34 34 GLY N N 563 112.224 112.224 109.879 2.345 17519
732 1 2 . 1 1 34 34 GLY C C 563 173.977 173.977 174.353 -0.376 17519
733 1 2 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.233 -2.284 17519
734 1 2 . 1 1 34 34 GLY H H 563 8.763 8.763 7.833 0.930 17519
735 1 2 . 1 1 35 35 VAL N N 564 123.427 123.427 117.944 5.483 17519
736 1 2 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.443 -0.042 17519
737 1 2 . 1 1 35 35 VAL C C 564 174.734 174.734 174.594 0.140 17519
738 1 2 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.283 1.605 17519
739 1 2 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.329 -0.428 17519
740 1 2 . 1 1 36 36 LYS N N 565 128.212 128.212 123.703 4.509 17519
741 1 2 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.681 -0.572 17519
742 1 2 . 1 1 36 36 LYS C C 565 176.437 176.437 176.117 0.320 17519
743 1 2 . 1 1 36 36 LYS CA C 565 57.187 57.187 54.809 2.378 17519
744 1 2 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.527 0.887 17519
745 1 2 . 1 1 36 36 LYS H H 565 8.486 8.486 8.290 0.196 17519
746 1 2 . 1 1 37 37 MET N N 566 124.964 124.964 123.679 1.285 17519
747 1 2 . 1 1 37 37 MET HA H 566 4.228 4.228 4.021 0.207 17519
748 1 2 . 1 1 37 37 MET C C 566 175.652 175.652 175.723 -0.071 17519
749 1 2 . 1 1 37 37 MET CA C 566 56.485 56.485 56.944 -0.459 17519
750 1 2 . 1 1 37 37 MET CB C 566 35.011 35.011 31.926 3.085 17519
751 1 2 . 1 1 37 37 MET H H 566 8.202 8.202 8.407 -0.205 17519
752 1 2 . 1 1 38 38 GLN N N 567 121.561 121.561 124.459 -2.898 17519
753 1 2 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.354 0.083 17519
754 1 2 . 1 1 38 38 GLN C C 567 175.809 175.809 175.530 0.279 17519
755 1 2 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.927 -0.105 17519
756 1 2 . 1 1 38 38 GLN CB C 567 30.182 30.182 29.561 0.621 17519
757 1 2 . 1 1 38 38 GLN H H 567 8.489 8.489 8.079 0.410 17519
758 1 2 . 1 1 39 39 ASP N N 568 121.881 121.881 125.246 -3.365 17519
759 1 2 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.588 0.195 17519
760 1 2 . 1 1 39 39 ASP C C 568 176.715 176.715 175.913 0.802 17519
761 1 2 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.403 0.764 17519
762 1 2 . 1 1 39 39 ASP CB C 568 40.239 40.239 40.718 -0.479 17519
763 1 2 . 1 1 39 39 ASP H H 568 8.780 8.780 8.656 0.124 17519
764 1 2 . 1 1 40 40 ALA N N 569 122.696 122.696 126.486 -3.790 17519
765 1 2 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.110 0.242 17519
766 1 2 . 1 1 40 40 ALA C C 569 175.165 175.165 177.482 -2.317 17519
767 1 2 . 1 1 40 40 ALA CA C 569 50.493 50.493 52.519 -2.026 17519
768 1 2 . 1 1 40 40 ALA CB C 569 21.735 21.735 19.677 2.058 17519
769 1 2 . 1 1 40 40 ALA H H 569 8.463 8.463 8.134 0.329 17519
770 1 2 . 1 1 41 41 GLU N N 570 120.083 120.083 116.415 3.668 17519
771 1 2 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.512 -0.161 17519
772 1 2 . 1 1 41 41 GLU C C 570 174.683 174.683 177.855 -3.172 17519
773 1 2 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.934 0.591 17519
774 1 2 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.282 -3.051 17519
775 1 2 . 1 1 41 41 GLU H H 570 10.398 10.398 8.549 1.849 17519
776 1 2 . 1 1 42 42 ILE N N 571 119.363 119.363 120.433 -1.070 17519
777 1 2 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.171 0.208 17519
778 1 2 . 1 1 42 42 ILE C C 571 174.913 174.913 175.884 -0.971 17519
779 1 2 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.649 -2.829 17519
780 1 2 . 1 1 42 42 ILE CB C 571 39.586 39.586 37.637 1.949 17519
781 1 2 . 1 1 42 42 ILE H H 571 6.526 6.526 8.162 -1.636 17519
782 1 2 . 1 1 43 43 SER N N 572 121.258 121.258 114.295 6.963 17519
783 1 2 . 1 1 43 43 SER HA H 572 4.352 4.352 4.301 0.051 17519
784 1 2 . 1 1 43 43 SER C C 572 175.617 175.617 174.887 0.730 17519
785 1 2 . 1 1 43 43 SER CA C 572 60.125 60.125 59.246 0.879 17519
786 1 2 . 1 1 43 43 SER CB C 572 63.063 63.063 62.750 0.313 17519
787 1 2 . 1 1 43 43 SER H H 572 8.618 8.618 8.132 0.486 17519
788 1 2 . 1 1 44 44 GLY N N 573 111.836 111.836 111.769 0.067 17519
789 1 2 . 1 1 44 44 GLY C C 573 173.828 173.828 173.429 0.399 17519
790 1 2 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.265 -0.410 17519
791 1 2 . 1 1 44 44 GLY H H 573 8.691 8.691 8.637 0.054 17519
792 1 2 . 1 1 45 45 TYR N N 574 116.297 116.297 120.838 -4.541 17519
793 1 2 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.786 0.975 17519
794 1 2 . 1 1 45 45 TYR C C 574 175.520 175.520 174.543 0.977 17519
795 1 2 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.460 -0.941 17519
796 1 2 . 1 1 45 45 TYR CB C 574 41.917 41.917 41.343 0.574 17519
797 1 2 . 1 1 45 45 TYR H H 574 7.854 7.854 7.714 0.140 17519
798 1 2 . 1 1 46 46 ALA N N 575 126.117 126.117 122.907 3.210 17519
799 1 2 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.772 0.635 17519
800 1 2 . 1 1 46 46 ALA C C 575 176.096 176.096 175.152 0.944 17519
801 1 2 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.456 -0.084 17519
802 1 2 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.763 2.603 17519
803 1 2 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.372 0.338 17519
804 1 2 . 1 1 47 47 LYS C C 576 173.794 173.794 174.625 -0.831 17519
805 1 2 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.265 0.125 17519
806 1 2 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.401 0.540 17519
807 1 2 . 1 1 48 48 ILE N N 577 120.000 120.000 121.657 -1.657 17519
808 1 2 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.674 -0.229 17519
809 1 2 . 1 1 48 48 ILE C C 577 171.242 171.242 173.306 -2.064 17519
810 1 2 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.251 1.129 17519
811 1 2 . 1 1 48 48 ILE CB C 577 42.316 42.316 41.837 0.479 17519
812 1 2 . 1 1 48 48 ILE H H 577 8.041 8.041 8.894 -0.853 17519
813 1 2 . 1 1 49 49 THR N N 578 122.357 122.357 122.404 -0.047 17519
814 1 2 . 1 1 49 49 THR HA H 578 5.344 5.344 5.367 -0.023 17519
815 1 2 . 1 1 49 49 THR C C 578 173.601 173.601 173.972 -0.371 17519
816 1 2 . 1 1 49 49 THR CA C 578 61.849 61.849 61.048 0.800 17519
817 1 2 . 1 1 49 49 THR CB C 578 70.593 70.593 70.806 -0.213 17519
818 1 2 . 1 1 49 49 THR H H 578 8.043 8.043 8.221 -0.178 17519
819 1 2 . 1 1 50 50 VAL N N 579 126.489 126.489 126.474 0.015 17519
820 1 2 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.211 -0.071 17519
821 1 2 . 1 1 50 50 VAL C C 579 174.015 174.015 174.326 -0.311 17519
822 1 2 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.704 -0.452 17519
823 1 2 . 1 1 50 50 VAL CB C 579 35.153 35.153 34.861 0.292 17519
824 1 2 . 1 1 50 50 VAL H H 579 9.349 9.349 8.325 1.024 17519
825 1 2 . 1 1 51 51 ASP N N 580 126.891 126.891 125.828 1.063 17519
826 1 2 . 1 1 51 51 ASP HA H 580 4.867 4.867 4.924 -0.057 17519
827 1 2 . 1 1 51 51 ASP C C 580 176.752 176.752 176.510 0.242 17519
828 1 2 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.591 -0.065 17519
829 1 2 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.362 -0.546 17519
830 1 2 . 1 1 51 51 ASP H H 580 8.616 8.616 8.579 0.037 17519
831 1 2 . 1 1 52 52 ILE N N 581 118.893 118.893 117.435 1.458 17519
832 1 2 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.542 0.046 17519
833 1 2 . 1 1 52 52 ILE C C 581 176.717 176.717 176.279 0.438 17519
834 1 2 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.879 0.222 17519
835 1 2 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.353 -0.298 17519
836 1 2 . 1 1 52 52 ILE H H 581 8.627 8.627 8.149 0.478 17519
837 1 2 . 1 1 53 53 GLY N N 582 114.728 114.728 112.596 2.132 17519
838 1 2 . 1 1 53 53 GLY C C 582 174.442 174.442 174.536 -0.094 17519
839 1 2 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.133 1.472 17519
840 1 2 . 1 1 53 53 GLY H H 582 9.075 9.075 8.715 0.360 17519
841 1 2 . 1 1 54 54 SER N N 583 120.404 120.404 114.389 6.015 17519
842 1 2 . 1 1 54 54 SER HA H 583 4.549 4.549 4.317 0.232 17519
843 1 2 . 1 1 54 54 SER C C 583 175.149 175.149 172.395 2.754 17519
844 1 2 . 1 1 54 54 SER CA C 583 58.133 58.133 58.775 -0.642 17519
845 1 2 . 1 1 54 54 SER CB C 583 63.647 63.647 63.209 0.438 17519
846 1 2 . 1 1 54 54 SER H H 583 8.812 8.812 8.548 0.264 17519
847 1 2 . 1 1 55 55 ALA N N 584 125.527 125.527 120.907 4.620 17519
848 1 2 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.738 -0.321 17519
849 1 2 . 1 1 55 55 ALA C C 584 175.867 175.867 175.131 0.736 17519
850 1 2 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.322 0.045 17519
851 1 2 . 1 1 55 55 ALA CB C 584 20.064 20.064 21.137 -1.073 17519
852 1 2 . 1 1 55 55 ALA H H 584 7.820 7.820 7.366 0.454 17519
853 1 2 . 1 1 56 56 SER N N 585 109.786 109.786 114.832 -5.046 17519
854 1 2 . 1 1 56 56 SER HA H 585 4.564 4.564 4.709 -0.145 17519
855 1 2 . 1 1 56 56 SER C C 585 173.978 173.978 173.351 0.627 17519
856 1 2 . 1 1 56 56 SER CA C 585 58.220 58.220 58.304 -0.084 17519
857 1 2 . 1 1 56 56 SER CB C 585 64.962 64.962 63.768 1.194 17519
858 1 2 . 1 1 56 56 SER H H 585 8.785 8.785 8.625 0.160 17519
859 1 2 . 1 1 57 57 GLN N N 586 116.690 116.690 118.365 -1.675 17519
860 1 2 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.895 0.253 17519
861 1 2 . 1 1 57 57 GLN C C 586 172.923 172.923 173.472 -0.549 17519
862 1 2 . 1 1 57 57 GLN CA C 586 53.996 53.996 54.874 -0.878 17519
863 1 2 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.873 1.667 17519
864 1 2 . 1 1 57 57 GLN H H 586 7.144 7.144 7.448 -0.304 17519
865 1 2 . 1 1 58 58 LEU N N 587 123.011 123.011 123.513 -0.502 17519
866 1 2 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.078 -0.410 17519
867 1 2 . 1 1 58 58 LEU C C 587 173.426 173.426 174.367 -0.941 17519
868 1 2 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.925 -0.547 17519
869 1 2 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.540 1.118 17519
870 1 2 . 1 1 58 58 LEU H H 587 9.226 9.226 9.299 -0.073 17519
871 1 2 . 1 1 59 59 GLU N N 588 129.185 129.185 126.521 2.664 17519
872 1 2 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.749 -0.440 17519
873 1 2 . 1 1 59 59 GLU C C 588 175.409 175.409 175.026 0.383 17519
874 1 2 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.553 0.097 17519
875 1 2 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.996 -0.948 17519
876 1 2 . 1 1 59 59 GLU H H 588 8.830 8.830 9.048 -0.218 17519
877 1 2 . 1 1 60 60 ALA N N 589 126.011 126.011 127.294 -1.283 17519
878 1 2 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.158 0.745 17519
879 1 2 . 1 1 60 60 ALA C C 589 174.861 174.861 175.343 -0.482 17519
880 1 2 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.297 -0.150 17519
881 1 2 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.002 1.855 17519
882 1 2 . 1 1 60 60 ALA H H 589 9.748 9.748 8.298 1.450 17519
883 1 2 . 1 1 61 61 ALA N N 590 120.783 120.783 124.855 -4.072 17519
884 1 2 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.051 -0.234 17519
885 1 2 . 1 1 61 61 ALA C C 590 174.731 174.731 175.383 -0.652 17519
886 1 2 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.629 0.499 17519
887 1 2 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.366 0.734 17519
888 1 2 . 1 1 61 61 ALA H H 590 9.392 9.392 8.869 0.523 17519
889 1 2 . 1 1 62 62 PHE N N 591 116.572 116.572 118.820 -2.248 17519
890 1 2 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.821 1.186 17519
891 1 2 . 1 1 62 62 PHE C C 591 175.059 175.059 174.105 0.954 17519
892 1 2 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.989 -0.532 17519
893 1 2 . 1 1 62 62 PHE CB C 591 43.323 43.323 43.006 0.317 17519
894 1 2 . 1 1 62 62 PHE H H 591 8.394 8.394 8.691 -0.297 17519
895 1 2 . 1 1 63 63 ASN N N 592 116.166 116.166 120.282 -4.116 17519
896 1 2 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.342 -0.178 17519
897 1 2 . 1 1 63 63 ASN C C 592 172.073 172.073 174.929 -2.856 17519
898 1 2 . 1 1 63 63 ASN CA C 592 53.727 53.727 52.016 1.711 17519
899 1 2 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.745 0.487 17519
900 1 2 . 1 1 63 63 ASN H H 592 9.117 9.117 8.829 0.288 17519
901 1 2 . 1 1 64 64 ASP N N 593 118.039 118.039 122.931 -4.892 17519
902 1 2 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.438 -0.219 17519
903 1 2 . 1 1 64 64 ASP C C 593 177.248 177.248 177.468 -0.220 17519
904 1 2 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.204 -2.953 17519
905 1 2 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.531 0.191 17519
906 1 2 . 1 1 64 64 ASP H H 593 7.558 7.558 8.255 -0.697 17519
907 1 2 . 1 1 65 65 GLY N N 594 110.622 110.622 105.309 5.313 17519
908 1 2 . 1 1 65 65 GLY C C 594 173.126 173.126 173.889 -0.763 17519
909 1 2 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.081 0.448 17519
910 1 2 . 1 1 65 65 GLY H H 594 8.742 8.742 8.234 0.508 17519
911 1 2 . 1 1 66 66 ASN N N 595 120.863 120.863 117.557 3.306 17519
912 1 2 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.866 -0.109 17519
913 1 2 . 1 1 66 66 ASN C C 595 174.434 174.434 174.817 -0.383 17519
914 1 2 . 1 1 66 66 ASN CA C 595 52.167 52.167 52.663 -0.496 17519
915 1 2 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.678 0.710 17519
916 1 2 . 1 1 66 66 ASN H H 595 8.424 8.424 7.909 0.515 17519
917 1 2 . 1 1 67 67 ASN N N 596 113.308 113.308 115.245 -1.937 17519
918 1 2 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.743 -0.513 17519
919 1 2 . 1 1 67 67 ASN C C 596 173.796 173.796 174.215 -0.419 17519
920 1 2 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.490 -0.065 17519
921 1 2 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.781 0.372 17519
922 1 2 . 1 1 67 67 ASN H H 596 8.744 8.744 8.816 -0.072 17519
923 1 2 . 1 1 68 68 ASN N N 597 118.418 118.418 119.137 -0.719 17519
924 1 2 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.999 0.119 17519
925 1 2 . 1 1 68 68 ASN C C 597 173.474 173.474 173.996 -0.522 17519
926 1 2 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.730 0.408 17519
927 1 2 . 1 1 68 68 ASN CB C 597 38.622 38.622 39.053 -0.431 17519
928 1 2 . 1 1 68 68 ASN H H 597 8.032 8.032 8.350 -0.318 17519
929 1 2 . 1 1 69 69 TRP N N 598 120.990 120.990 121.832 -0.842 17519
930 1 2 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.135 -0.279 17519
931 1 2 . 1 1 69 69 TRP C C 598 176.220 176.220 176.646 -0.426 17519
932 1 2 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.032 1.201 17519
933 1 2 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.387 1.832 17519
934 1 2 . 1 1 69 69 TRP H H 598 8.842 8.842 8.245 0.597 17519
935 1 2 . 1 1 70 70 ASP N N 599 122.210 122.210 125.119 -2.909 17519
936 1 2 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.111 0.136 17519
937 1 2 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.680 -0.434 17519
938 1 2 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.304 0.594 17519
939 1 2 . 1 1 70 70 ASP H H 599 9.831 9.831 8.963 0.868 17519
940 1 2 . 1 1 71 71 SER N N 600 117.252 117.252 118.854 -1.602 17519
941 1 2 . 1 1 71 71 SER HA H 600 5.141 5.141 4.496 0.645 17519
942 1 2 . 1 1 71 71 SER CA C 600 55.907 55.907 60.525 -4.618 17519
943 1 2 . 1 1 71 71 SER H H 600 9.328 9.328 8.825 0.503 17519
944 1 2 . 1 1 72 72 ASN N N 601 123.197 123.197 114.611 8.586 17519
945 1 2 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.683 -0.254 17519
946 1 2 . 1 1 72 72 ASN C C 601 176.895 176.895 173.960 2.935 17519
947 1 2 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.899 -0.806 17519
948 1 2 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.408 0.742 17519
949 1 2 . 1 1 72 72 ASN H H 601 8.715 8.715 8.171 0.544 17519
950 1 2 . 1 1 73 73 ASN N N 602 116.099 116.099 117.557 -1.458 17519
951 1 2 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.845 -0.401 17519
952 1 2 . 1 1 73 73 ASN C C 602 176.304 176.304 174.874 1.430 17519
953 1 2 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.075 0.390 17519
954 1 2 . 1 1 73 73 ASN CB C 602 37.277 37.277 40.329 -3.052 17519
955 1 2 . 1 1 73 73 ASN H H 602 9.184 9.184 8.267 0.917 17519
956 1 2 . 1 1 74 74 THR N N 603 110.445 110.445 112.120 -1.675 17519
957 1 2 . 1 1 74 74 THR HA H 603 3.835 3.835 4.294 -0.459 17519
958 1 2 . 1 1 74 74 THR C C 603 173.186 173.186 173.572 -0.386 17519
959 1 2 . 1 1 74 74 THR CA C 603 65.006 65.006 63.510 1.496 17519
960 1 2 . 1 1 74 74 THR CB C 603 69.653 69.653 68.962 0.691 17519
961 1 2 . 1 1 74 74 THR H H 603 7.829 7.829 8.010 -0.181 17519
962 1 2 . 1 1 75 75 LYS N N 604 121.909 121.909 122.106 -0.197 17519
963 1 2 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.386 -0.249 17519
964 1 2 . 1 1 75 75 LYS C C 604 177.262 177.262 176.628 0.634 17519
965 1 2 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.411 2.356 17519
966 1 2 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.050 0.326 17519
967 1 2 . 1 1 75 75 LYS H H 604 7.714 7.714 8.208 -0.494 17519
968 1 2 . 1 1 76 76 ASN N N 605 108.823 108.823 115.422 -6.599 17519
969 1 2 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.381 -0.441 17519
970 1 2 . 1 1 76 76 ASN C C 605 171.742 171.742 174.164 -2.422 17519
971 1 2 . 1 1 76 76 ASN CA C 605 54.159 54.159 55.769 -1.610 17519
972 1 2 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.422 0.605 17519
973 1 2 . 1 1 76 76 ASN H H 605 8.274 8.274 7.818 0.456 17519
974 1 2 . 1 1 77 77 TYR N N 606 117.628 117.628 119.337 -1.709 17519
975 1 2 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.945 -0.118 17519
976 1 2 . 1 1 77 77 TYR C C 606 174.468 174.468 175.270 -0.802 17519
977 1 2 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.420 0.149 17519
978 1 2 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.813 0.742 17519
979 1 2 . 1 1 77 77 TYR H H 606 9.055 9.055 8.195 0.860 17519
980 1 2 . 1 1 78 78 LEU N N 607 121.811 121.811 124.586 -2.775 17519
981 1 2 . 1 1 78 78 LEU HA H 607 5.303 5.303 5.099 0.204 17519
982 1 2 . 1 1 78 78 LEU C C 607 175.673 175.673 176.477 -0.804 17519
983 1 2 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.231 -0.987 17519
984 1 2 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.322 1.649 17519
985 1 2 . 1 1 78 78 LEU H H 607 7.983 7.983 8.950 -0.967 17519
986 1 2 . 1 1 79 79 PHE N N 608 121.390 121.390 123.950 -2.560 17519
987 1 2 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.906 -0.079 17519
988 1 2 . 1 1 79 79 PHE C C 608 175.786 175.786 174.279 1.507 17519
989 1 2 . 1 1 79 79 PHE CA C 608 56.851 56.851 57.166 -0.315 17519
990 1 2 . 1 1 79 79 PHE CB C 608 42.563 42.563 43.564 -1.001 17519
991 1 2 . 1 1 79 79 PHE H H 608 9.240 9.240 9.278 -0.038 17519
992 1 2 . 1 1 80 80 SER N N 609 117.589 117.589 114.828 2.761 17519
993 1 2 . 1 1 80 80 SER HA H 609 4.979 4.979 4.916 0.063 17519
994 1 2 . 1 1 80 80 SER C C 609 173.269 173.269 174.038 -0.769 17519
995 1 2 . 1 1 80 80 SER CA C 609 57.811 57.811 56.556 1.255 17519
996 1 2 . 1 1 80 80 SER CB C 609 64.856 64.856 64.615 0.241 17519
997 1 2 . 1 1 80 80 SER H H 609 8.948 8.948 8.414 0.534 17519
998 1 2 . 1 1 81 81 THR N N 610 112.845 112.845 112.708 0.137 17519
999 1 2 . 1 1 81 81 THR HA H 610 3.871 3.871 4.179 -0.308 17519
1000 1 2 . 1 1 81 81 THR C C 610 174.439 174.439 175.708 -1.269 17519
1001 1 2 . 1 1 81 81 THR CA C 610 64.353 64.353 63.373 0.980 17519
1002 1 2 . 1 1 81 81 THR CB C 610 69.421 69.421 69.267 0.154 17519
1003 1 2 . 1 1 82 82 GLY N N 611 112.157 112.157 110.148 2.009 17519
1004 1 2 . 1 1 82 82 GLY C C 611 174.430 174.430 173.049 1.381 17519
1005 1 2 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.848 -0.982 17519
1006 1 2 . 1 1 82 82 GLY H H 611 8.468 8.468 8.042 0.426 17519
1007 1 2 . 1 1 83 83 THR N N 612 120.992 120.992 120.584 0.408 17519
1008 1 2 . 1 1 83 83 THR HA H 612 5.483 5.483 5.230 0.253 17519
1009 1 2 . 1 1 83 83 THR C C 612 174.819 174.819 173.786 1.033 17519
1010 1 2 . 1 1 83 83 THR CA C 612 62.563 62.563 61.581 0.982 17519
1011 1 2 . 1 1 83 83 THR CB C 612 70.093 70.093 71.182 -1.089 17519
1012 1 2 . 1 1 83 83 THR H H 612 8.736 8.736 8.324 0.412 17519
1013 1 2 . 1 1 84 84 SER N N 613 122.602 122.602 122.021 0.581 17519
1014 1 2 . 1 1 84 84 SER HA H 613 5.489 5.489 4.999 0.490 17519
1015 1 2 . 1 1 84 84 SER C C 613 172.064 172.064 172.930 -0.866 17519
1016 1 2 . 1 1 84 84 SER CA C 613 58.813 58.813 57.547 1.266 17519
1017 1 2 . 1 1 84 84 SER CB C 613 67.694 67.694 66.770 0.924 17519
1018 1 2 . 1 1 84 84 SER H H 613 9.051 9.051 9.261 -0.210 17519
1019 1 2 . 1 1 85 85 THR N N 614 117.759 117.759 118.136 -0.377 17519
1020 1 2 . 1 1 85 85 THR HA H 614 5.256 5.256 5.341 -0.085 17519
1021 1 2 . 1 1 85 85 THR C C 614 173.632 173.632 172.931 0.701 17519
1022 1 2 . 1 1 85 85 THR CA C 614 62.724 62.724 61.859 0.865 17519
1023 1 2 . 1 1 85 85 THR CB C 614 70.908 70.908 71.263 -0.355 17519
1024 1 2 . 1 1 85 85 THR H H 614 9.523 9.523 8.748 0.775 17519
1025 1 2 . 1 1 86 86 TYR N N 615 131.519 131.519 128.329 3.190 17519
1026 1 2 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.525 0.688 17519
1027 1 2 . 1 1 86 86 TYR C C 615 172.999 172.999 174.980 -1.981 17519
1028 1 2 . 1 1 86 86 TYR CA C 615 57.163 57.163 58.190 -1.027 17519
1029 1 2 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.818 0.751 17519
1030 1 2 . 1 1 86 86 TYR H H 615 10.029 10.029 9.519 0.510 17519
1031 1 2 . 1 1 87 87 THR N N 616 124.674 124.674 122.963 1.711 17519
1032 1 2 . 1 1 87 87 THR HA H 616 4.370 4.370 4.756 -0.386 17519
1033 1 2 . 1 1 87 87 THR CA C 616 58.725 58.725 59.671 -0.946 17519
1034 1 2 . 1 1 87 87 THR CB C 616 70.070 70.070 69.935 0.135 17519
1035 1 2 . 1 1 87 87 THR H H 616 8.027 8.027 8.865 -0.838 17519
1036 1 2 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.644 -0.552 17519
1037 1 2 . 1 1 88 88 PRO C C 617 177.011 177.011 177.202 -0.191 17519
1038 1 2 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.078 0.809 17519
1039 1 2 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.633 -0.309 17519
1040 1 2 . 1 1 89 89 GLY N N 618 108.881 108.881 106.236 2.645 17519
1041 1 2 . 1 1 89 89 GLY C C 618 173.673 173.673 174.100 -0.427 17519
1042 1 2 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.810 -0.814 17519
1043 1 2 . 1 1 89 89 GLY H H 618 8.261 8.261 8.213 0.048 17519
1044 1 2 . 1 1 90 90 SER N N 619 114.743 114.743 114.234 0.509 17519
1045 1 2 . 1 1 90 90 SER HA H 619 4.537 4.537 4.484 0.053 17519
1046 1 2 . 1 1 90 90 SER C C 619 175.706 175.706 174.441 1.265 17519
1047 1 2 . 1 1 90 90 SER CA C 619 57.617 57.617 58.545 -0.928 17519
1048 1 2 . 1 1 90 90 SER CB C 619 64.294 64.294 63.706 0.588 17519
1049 1 2 . 1 1 90 90 SER H H 619 8.380 8.380 8.650 -0.270 17519
1050 1 2 . 1 1 91 91 ASN N N 620 121.360 121.360 120.634 0.726 17519
1051 1 2 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.962 -0.550 17519
1052 1 2 . 1 1 91 91 ASN C C 620 175.289 175.289 175.024 0.265 17519
1053 1 2 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.275 1.078 17519
1054 1 2 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.376 -0.643 17519
1055 1 2 . 1 1 91 91 ASN H H 620 9.296 9.296 8.110 1.186 17519
1056 1 2 . 1 1 92 92 GLY N N 621 105.883 105.883 109.018 -3.135 17519
1057 1 2 . 1 1 92 92 GLY C C 621 174.510 174.510 173.832 0.678 17519
1058 1 2 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.808 -0.579 17519
1059 1 2 . 1 1 92 92 GLY H H 621 8.528 8.528 8.465 0.063 17519
1060 1 2 . 1 1 93 93 ALA N N 622 123.803 123.803 121.734 2.069 17519
1061 1 2 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.567 -0.151 17519
1062 1 2 . 1 1 93 93 ALA C C 622 176.820 176.820 176.347 0.473 17519
1063 1 2 . 1 1 93 93 ALA CA C 622 51.851 51.851 51.015 0.836 17519
1064 1 2 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.448 -0.644 17519
1065 1 2 . 1 1 93 93 ALA H H 622 7.486 7.486 7.832 -0.346 17519
1066 1 2 . 1 1 94 94 ALA N N 623 123.284 123.284 127.310 -4.026 17519
1067 1 2 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.180 0.410 17519
1068 1 2 . 1 1 94 94 ALA C C 623 178.770 178.770 177.122 1.648 17519
1069 1 2 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.158 -0.531 17519
1070 1 2 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.336 0.751 17519
1071 1 2 . 1 1 94 94 ALA H H 623 8.397 8.397 8.776 -0.379 17519
1072 1 2 . 1 1 95 95 GLY N N 624 108.970 108.970 109.198 -0.228 17519
1073 1 2 . 1 1 95 95 GLY C C 624 173.156 173.156 173.385 -0.229 17519
1074 1 2 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.871 -0.014 17519
1075 1 2 . 1 1 95 95 GLY H H 624 8.438 8.438 8.498 -0.060 17519
1076 1 2 . 1 1 96 96 THR N N 625 108.929 108.929 110.819 -1.890 17519
1077 1 2 . 1 1 96 96 THR HA H 625 4.603 4.603 4.554 0.049 17519
1078 1 2 . 1 1 96 96 THR C C 625 172.765 172.765 172.685 0.080 17519
1079 1 2 . 1 1 96 96 THR CA C 625 60.350 60.350 60.762 -0.412 17519
1080 1 2 . 1 1 96 96 THR CB C 625 72.295 72.295 71.645 0.649 17519
1081 1 2 . 1 1 96 96 THR H H 625 7.833 7.833 7.672 0.161 17519
1082 1 2 . 1 1 97 97 ILE N N 626 123.623 123.623 119.560 4.063 17519
1083 1 2 . 1 1 97 97 ILE HA H 626 4.817 4.817 4.915 -0.098 17519
1084 1 2 . 1 1 97 97 ILE C C 626 175.596 175.596 175.194 0.402 17519
1085 1 2 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.237 1.812 17519
1086 1 2 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.413 1.765 17519
1087 1 2 . 1 1 97 97 ILE H H 626 8.594 8.594 8.106 0.488 17519
1088 1 2 . 1 1 98 98 ARG N N 627 127.431 127.431 127.043 0.388 17519
1089 1 2 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.699 0.236 17519
1090 1 2 . 1 1 98 98 ARG C C 627 175.183 175.183 175.534 -0.351 17519
1091 1 2 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.074 -0.306 17519
1092 1 2 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.951 0.825 17519
1093 1 2 . 1 1 98 98 ARG H H 627 8.979 8.979 9.003 -0.024 17519
1094 1 2 . 1 1 99 99 THR N N 628 118.452 118.452 119.667 -1.215 17519
1095 1 2 . 1 1 99 99 THR HA H 628 4.410 4.410 4.473 -0.063 17519
1096 1 2 . 1 1 99 99 THR C C 628 174.845 174.845 174.880 -0.035 17519
1097 1 2 . 1 1 99 99 THR CA C 628 63.962 63.962 62.264 1.698 17519
1098 1 2 . 1 1 99 99 THR CB C 628 69.488 69.488 69.278 0.210 17519
1099 1 2 . 1 1 99 99 THR H H 628 8.697 8.697 8.519 0.178 17519
1100 1 2 . 1 1 100 100 GLY N N 629 114.137 114.137 109.660 4.477 17519
1101 1 2 . 1 1 100 100 GLY C C 629 171.903 171.903 172.745 -0.842 17519
1102 1 2 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.411 -0.664 17519
1103 1 2 . 1 1 100 100 GLY H H 629 8.626 8.626 8.275 0.351 17519
1104 1 2 . 1 1 101 101 ALA N N 630 120.627 120.627 124.518 -3.891 17519
1105 1 2 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.198 -0.506 17519
1106 1 2 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.894 -1.466 17519
1107 1 2 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.362 -0.291 17519
1108 1 2 . 1 1 101 101 ALA H H 630 7.980 7.980 8.196 -0.216 17519
1109 1 2 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.566 -0.441 17519
1110 1 2 . 1 1 102 102 PRO C C 631 175.721 175.721 175.838 -0.117 17519
1111 1 2 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.555 0.385 17519
1112 1 2 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.883 -1.138 17519
1113 1 2 . 1 1 103 103 SER N N 632 113.689 113.689 115.717 -2.028 17519
1114 1 2 . 1 1 103 103 SER HA H 632 4.295 4.295 4.394 -0.099 17519
1115 1 2 . 1 1 103 103 SER C C 632 173.816 173.816 174.142 -0.326 17519
1116 1 2 . 1 1 103 103 SER CA C 632 57.689 57.689 58.233 -0.544 17519
1117 1 2 . 1 1 103 103 SER CB C 632 64.133 64.133 63.478 0.655 17519
1118 1 2 . 1 1 103 103 SER H H 632 7.969 7.969 8.213 -0.244 17519
1119 1 3 . 1 1 2 2 GLY C C 531 174.309 174.309 174.175 0.134 17519
1120 1 3 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.578 0.598 17519
1121 1 3 . 1 1 3 3 THR N N 532 113.802 113.802 116.002 -2.200 17519
1122 1 3 . 1 1 3 3 THR HA H 532 4.429 4.429 4.412 0.017 17519
1123 1 3 . 1 1 3 3 THR C C 532 174.430 174.430 174.414 0.016 17519
1124 1 3 . 1 1 3 3 THR CA C 532 61.577 61.577 63.916 -2.339 17519
1125 1 3 . 1 1 3 3 THR CB C 532 69.849 69.849 68.467 1.382 17519
1126 1 3 . 1 1 3 3 THR H H 532 8.140 8.140 8.415 -0.275 17519
1127 1 3 . 1 1 4 4 THR N N 533 115.407 115.407 119.078 -3.671 17519
1128 1 3 . 1 1 4 4 THR HA H 533 4.350 4.350 4.361 -0.011 17519
1129 1 3 . 1 1 4 4 THR C C 533 173.831 173.831 173.792 0.039 17519
1130 1 3 . 1 1 4 4 THR CA C 533 60.266 60.266 62.876 -2.610 17519
1131 1 3 . 1 1 4 4 THR CB C 533 69.788 69.788 70.565 -0.777 17519
1132 1 3 . 1 1 4 4 THR H H 533 8.019 8.019 9.524 -1.505 17519
1133 1 3 . 1 1 5 5 ASN N N 534 121.822 121.822 120.672 1.150 17519
1134 1 3 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.073 -0.237 17519
1135 1 3 . 1 1 5 5 ASN C C 534 174.057 174.057 173.698 0.359 17519
1136 1 3 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.373 0.313 17519
1137 1 3 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.469 -1.313 17519
1138 1 3 . 1 1 5 5 ASN H H 534 8.863 8.863 8.537 0.326 17519
1139 1 3 . 1 1 6 6 LYS N N 535 119.369 119.369 117.702 1.667 17519
1140 1 3 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.114 0.071 17519
1141 1 3 . 1 1 6 6 LYS C C 535 175.924 175.924 174.974 0.950 17519
1142 1 3 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.091 -0.560 17519
1143 1 3 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.771 -0.755 17519
1144 1 3 . 1 1 6 6 LYS H H 535 8.347 8.347 8.167 0.180 17519
1145 1 3 . 1 1 7 7 VAL N N 536 123.112 123.112 120.305 2.807 17519
1146 1 3 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.411 0.162 17519
1147 1 3 . 1 1 7 7 VAL C C 536 174.602 174.602 174.935 -0.333 17519
1148 1 3 . 1 1 7 7 VAL CA C 536 61.145 61.145 61.454 -0.309 17519
1149 1 3 . 1 1 7 7 VAL CB C 536 34.773 34.773 34.572 0.201 17519
1150 1 3 . 1 1 7 7 VAL H H 536 8.828 8.828 8.946 -0.118 17519
1151 1 3 . 1 1 8 8 THR N N 537 125.255 125.255 124.209 1.046 17519
1152 1 3 . 1 1 8 8 THR HA H 537 5.396 5.396 5.361 0.035 17519
1153 1 3 . 1 1 8 8 THR C C 537 173.129 173.129 173.834 -0.705 17519
1154 1 3 . 1 1 8 8 THR CA C 537 61.611 61.611 61.839 -0.228 17519
1155 1 3 . 1 1 8 8 THR CB C 537 70.113 70.113 69.877 0.236 17519
1156 1 3 . 1 1 8 8 THR H H 537 8.914 8.914 9.032 -0.118 17519
1157 1 3 . 1 1 9 9 VAL N N 538 126.696 126.696 127.008 -0.312 17519
1158 1 3 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.584 -0.050 17519
1159 1 3 . 1 1 9 9 VAL C C 538 175.565 175.565 174.645 0.920 17519
1160 1 3 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.994 -0.115 17519
1161 1 3 . 1 1 9 9 VAL CB C 538 35.179 35.179 33.482 1.697 17519
1162 1 3 . 1 1 9 9 VAL H H 538 8.585 8.585 8.863 -0.278 17519
1163 1 3 . 1 1 10 10 TYR N N 539 124.488 124.488 128.108 -3.620 17519
1164 1 3 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.230 0.028 17519
1165 1 3 . 1 1 10 10 TYR C C 539 174.309 174.309 174.549 -0.240 17519
1166 1 3 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.595 0.671 17519
1167 1 3 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.451 -1.041 17519
1168 1 3 . 1 1 10 10 TYR H H 539 9.111 9.111 9.183 -0.072 17519
1169 1 3 . 1 1 11 11 TYR N N 540 125.848 125.848 124.672 1.176 17519
1170 1 3 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.638 -0.612 17519
1171 1 3 . 1 1 11 11 TYR C C 540 173.346 173.346 173.593 -0.247 17519
1172 1 3 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.752 1.850 17519
1173 1 3 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.703 0.255 17519
1174 1 3 . 1 1 11 11 TYR H H 540 9.580 9.580 8.960 0.620 17519
1175 1 3 . 1 1 12 12 LYS N N 541 131.489 131.489 127.885 3.604 17519
1176 1 3 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.897 -0.445 17519
1177 1 3 . 1 1 12 12 LYS C C 541 172.904 172.904 174.789 -1.885 17519
1178 1 3 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.930 0.785 17519
1179 1 3 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.122 -0.025 17519
1180 1 3 . 1 1 12 12 LYS H H 541 8.406 8.406 8.621 -0.215 17519
1181 1 3 . 1 1 13 13 LYS N N 542 125.132 125.132 127.012 -1.880 17519
1182 1 3 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.754 0.184 17519
1183 1 3 . 1 1 13 13 LYS C C 542 180.078 180.078 176.142 3.936 17519
1184 1 3 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.286 -3.850 17519
1185 1 3 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.722 -1.117 17519
1186 1 3 . 1 1 13 13 LYS H H 542 7.515 7.515 7.606 -0.091 17519
1187 1 3 . 1 1 14 14 GLY N N 543 112.724 112.724 112.928 -0.204 17519
1188 1 3 . 1 1 14 14 GLY C C 543 174.151 174.151 172.908 1.243 17519
1189 1 3 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.577 1.713 17519
1190 1 3 . 1 1 14 14 GLY H H 543 7.629 7.629 8.097 -0.468 17519
1191 1 3 . 1 1 15 15 PHE N N 544 121.583 121.583 120.045 1.538 17519
1192 1 3 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.873 -0.151 17519
1193 1 3 . 1 1 15 15 PHE C C 544 175.876 175.876 176.054 -0.178 17519
1194 1 3 . 1 1 15 15 PHE CA C 544 57.110 57.110 57.334 -0.224 17519
1195 1 3 . 1 1 15 15 PHE CB C 544 38.391 38.391 39.933 -1.542 17519
1196 1 3 . 1 1 15 15 PHE H H 544 8.557 8.557 8.821 -0.264 17519
1197 1 3 . 1 1 16 16 ASN N N 545 117.559 117.559 117.248 0.311 17519
1198 1 3 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.881 -0.417 17519
1199 1 3 . 1 1 16 16 ASN C C 545 176.289 176.289 175.244 1.045 17519
1200 1 3 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.770 2.650 17519
1201 1 3 . 1 1 16 16 ASN CB C 545 39.263 39.263 40.915 -1.652 17519
1202 1 3 . 1 1 16 16 ASN H H 545 8.561 8.561 8.785 -0.224 17519
1203 1 3 . 1 1 17 17 SER N N 546 112.901 112.901 115.706 -2.805 17519
1204 1 3 . 1 1 17 17 SER HA H 546 4.862 4.862 4.805 0.057 17519
1205 1 3 . 1 1 17 17 SER CA C 546 53.586 53.586 55.281 -1.695 17519
1206 1 3 . 1 1 17 17 SER CB C 546 63.708 63.708 63.624 0.084 17519
1207 1 3 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.348 0.245 17519
1208 1 3 . 1 1 18 18 PRO C C 547 175.806 175.806 175.309 0.497 17519
1209 1 3 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.285 0.236 17519
1210 1 3 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.386 0.276 17519
1211 1 3 . 1 1 19 19 TYR N N 548 122.230 122.230 119.803 2.427 17519
1212 1 3 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.483 0.394 17519
1213 1 3 . 1 1 19 19 TYR C C 548 174.660 174.660 173.897 0.763 17519
1214 1 3 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.334 -0.674 17519
1215 1 3 . 1 1 19 19 TYR CB C 548 40.462 40.462 43.372 -2.910 17519
1216 1 3 . 1 1 19 19 TYR H H 548 9.141 9.141 8.135 1.006 17519
1217 1 3 . 1 1 20 20 ILE N N 549 118.425 118.425 119.171 -0.746 17519
1218 1 3 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.570 0.502 17519
1219 1 3 . 1 1 20 20 ILE C C 549 171.422 171.422 173.043 -1.621 17519
1220 1 3 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.742 -0.313 17519
1221 1 3 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.559 0.197 17519
1222 1 3 . 1 1 21 21 HIS N N 550 133.248 133.248 126.684 6.564 17519
1223 1 3 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.693 0.670 17519
1224 1 3 . 1 1 21 21 HIS C C 550 174.988 174.988 173.308 1.680 17519
1225 1 3 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.146 -0.231 17519
1226 1 3 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.686 2.088 17519
1227 1 3 . 1 1 21 21 HIS H H 550 8.956 8.956 8.286 0.670 17519
1228 1 3 . 1 1 22 22 TYR N N 551 121.831 121.831 122.643 -0.812 17519
1229 1 3 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.533 0.650 17519
1230 1 3 . 1 1 22 22 TYR C C 551 173.934 173.934 173.461 0.473 17519
1231 1 3 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.951 1.717 17519
1232 1 3 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.363 1.355 17519
1233 1 3 . 1 1 22 22 TYR H H 551 8.204 8.204 8.157 0.047 17519
1234 1 3 . 1 1 23 23 ARG N N 552 115.619 115.619 118.550 -2.931 17519
1235 1 3 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.791 -0.029 17519
1236 1 3 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.643 -0.163 17519
1237 1 3 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.398 -1.360 17519
1238 1 3 . 1 1 23 23 ARG H H 552 8.674 8.674 9.048 -0.374 17519
1239 1 3 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.522 0.034 17519
1240 1 3 . 1 1 24 24 PRO C C 553 176.736 176.736 176.894 -0.158 17519
1241 1 3 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.369 -0.017 17519
1242 1 3 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.789 -0.909 17519
1243 1 3 . 1 1 25 25 ALA N N 554 125.908 125.908 125.371 0.537 17519
1244 1 3 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.987 0.035 17519
1245 1 3 . 1 1 25 25 ALA C C 554 179.217 179.217 177.545 1.672 17519
1246 1 3 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.811 -0.726 17519
1247 1 3 . 1 1 25 25 ALA CB C 554 18.232 18.232 19.026 -0.794 17519
1248 1 3 . 1 1 25 25 ALA H H 554 8.293 8.293 8.145 0.148 17519
1249 1 3 . 1 1 26 26 GLY N N 555 111.766 111.766 104.726 7.040 17519
1250 1 3 . 1 1 26 26 GLY C C 555 174.796 174.796 173.634 1.162 17519
1251 1 3 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.577 1.064 17519
1252 1 3 . 1 1 26 26 GLY H H 555 8.602 8.602 8.023 0.579 17519
1253 1 3 . 1 1 27 27 GLY N N 556 109.512 109.512 111.302 -1.790 17519
1254 1 3 . 1 1 27 27 GLY C C 556 173.368 173.368 173.191 0.177 17519
1255 1 3 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.506 -1.300 17519
1256 1 3 . 1 1 27 27 GLY H H 556 8.494 8.494 7.894 0.600 17519
1257 1 3 . 1 1 28 28 SER N N 557 117.962 117.962 114.743 3.219 17519
1258 1 3 . 1 1 28 28 SER HA H 557 4.690 4.690 4.592 0.098 17519
1259 1 3 . 1 1 28 28 SER C C 557 173.656 173.656 172.453 1.203 17519
1260 1 3 . 1 1 28 28 SER CA C 557 57.492 57.492 57.042 0.450 17519
1261 1 3 . 1 1 28 28 SER CB C 557 64.803 64.803 64.344 0.459 17519
1262 1 3 . 1 1 28 28 SER H H 557 8.681 8.681 7.710 0.971 17519
1263 1 3 . 1 1 29 29 TRP N N 558 123.928 123.928 121.639 2.289 17519
1264 1 3 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.768 -0.316 17519
1265 1 3 . 1 1 29 29 TRP C C 558 178.891 178.891 176.731 2.160 17519
1266 1 3 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.585 1.489 17519
1267 1 3 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.451 0.255 17519
1268 1 3 . 1 1 29 29 TRP H H 558 8.392 8.392 8.640 -0.248 17519
1269 1 3 . 1 1 30 30 THR N N 559 111.067 111.067 119.850 -8.783 17519
1270 1 3 . 1 1 30 30 THR HA H 559 4.037 4.037 4.253 -0.216 17519
1271 1 3 . 1 1 30 30 THR C C 559 174.782 174.782 174.593 0.189 17519
1272 1 3 . 1 1 30 30 THR CA C 559 61.321 61.321 63.828 -2.507 17519
1273 1 3 . 1 1 30 30 THR CB C 559 70.561 70.561 69.710 0.851 17519
1274 1 3 . 1 1 30 30 THR H H 559 7.953 7.953 8.427 -0.474 17519
1275 1 3 . 1 1 31 31 ALA N N 560 123.046 123.046 124.688 -1.642 17519
1276 1 3 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.196 0.255 17519
1277 1 3 . 1 1 31 31 ALA C C 560 178.493 178.493 176.674 1.819 17519
1278 1 3 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.283 -0.369 17519
1279 1 3 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.710 -0.711 17519
1280 1 3 . 1 1 31 31 ALA H H 560 8.437 8.437 8.379 0.058 17519
1281 1 3 . 1 1 32 32 ALA N N 561 129.644 129.644 127.809 1.835 17519
1282 1 3 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.946 -0.005 17519
1283 1 3 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.932 1.824 17519
1284 1 3 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.476 -2.326 17519
1285 1 3 . 1 1 32 32 ALA H H 561 8.828 8.828 8.247 0.581 17519
1286 1 3 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.274 -0.376 17519
1287 1 3 . 1 1 33 33 PRO C C 562 173.280 173.280 176.621 -3.341 17519
1288 1 3 . 1 1 33 33 PRO CA C 562 63.439 63.439 61.983 1.456 17519
1289 1 3 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.404 0.107 17519
1290 1 3 . 1 1 34 34 GLY N N 563 112.224 112.224 109.514 2.710 17519
1291 1 3 . 1 1 34 34 GLY C C 563 173.977 173.977 174.323 -0.346 17519
1292 1 3 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.782 -1.833 17519
1293 1 3 . 1 1 34 34 GLY H H 563 8.763 8.763 7.792 0.971 17519
1294 1 3 . 1 1 35 35 VAL N N 564 123.427 123.427 118.130 5.297 17519
1295 1 3 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.461 -0.060 17519
1296 1 3 . 1 1 35 35 VAL C C 564 174.734 174.734 174.789 -0.055 17519
1297 1 3 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.948 0.940 17519
1298 1 3 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.398 -0.497 17519
1299 1 3 . 1 1 36 36 LYS N N 565 128.212 128.212 123.360 4.852 17519
1300 1 3 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.702 -0.593 17519
1301 1 3 . 1 1 36 36 LYS C C 565 176.437 176.437 176.167 0.270 17519
1302 1 3 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.177 2.010 17519
1303 1 3 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.941 0.473 17519
1304 1 3 . 1 1 36 36 LYS H H 565 8.486 8.486 8.357 0.129 17519
1305 1 3 . 1 1 37 37 MET N N 566 124.964 124.964 123.703 1.261 17519
1306 1 3 . 1 1 37 37 MET HA H 566 4.228 4.228 4.100 0.128 17519
1307 1 3 . 1 1 37 37 MET C C 566 175.652 175.652 175.945 -0.293 17519
1308 1 3 . 1 1 37 37 MET CA C 566 56.485 56.485 56.741 -0.256 17519
1309 1 3 . 1 1 37 37 MET CB C 566 35.011 35.011 32.989 2.022 17519
1310 1 3 . 1 1 37 37 MET H H 566 8.202 8.202 8.496 -0.294 17519
1311 1 3 . 1 1 38 38 GLN N N 567 121.561 121.561 125.601 -4.040 17519
1312 1 3 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.412 0.024 17519
1313 1 3 . 1 1 38 38 GLN C C 567 175.809 175.809 175.505 0.304 17519
1314 1 3 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.828 -0.007 17519
1315 1 3 . 1 1 38 38 GLN CB C 567 30.182 30.182 29.579 0.603 17519
1316 1 3 . 1 1 38 38 GLN H H 567 8.489 8.489 8.520 -0.031 17519
1317 1 3 . 1 1 39 39 ASP N N 568 121.881 121.881 125.358 -3.477 17519
1318 1 3 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.324 0.459 17519
1319 1 3 . 1 1 39 39 ASP C C 568 176.715 176.715 175.113 1.602 17519
1320 1 3 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.418 0.749 17519
1321 1 3 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.069 -0.830 17519
1322 1 3 . 1 1 39 39 ASP H H 568 8.780 8.780 8.510 0.270 17519
1323 1 3 . 1 1 40 40 ALA N N 569 122.696 122.696 126.606 -3.910 17519
1324 1 3 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.183 0.169 17519
1325 1 3 . 1 1 40 40 ALA C C 569 175.165 175.165 177.078 -1.913 17519
1326 1 3 . 1 1 40 40 ALA CA C 569 50.493 50.493 52.175 -1.682 17519
1327 1 3 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.306 1.429 17519
1328 1 3 . 1 1 40 40 ALA H H 569 8.463 8.463 8.257 0.206 17519
1329 1 3 . 1 1 41 41 GLU N N 570 120.083 120.083 116.991 3.092 17519
1330 1 3 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.447 -0.096 17519
1331 1 3 . 1 1 41 41 GLU C C 570 174.683 174.683 177.029 -2.346 17519
1332 1 3 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.299 1.226 17519
1333 1 3 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.176 -2.945 17519
1334 1 3 . 1 1 41 41 GLU H H 570 10.398 10.398 8.657 1.741 17519
1335 1 3 . 1 1 42 42 ILE N N 571 119.363 119.363 119.897 -0.534 17519
1336 1 3 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.316 0.063 17519
1337 1 3 . 1 1 42 42 ILE C C 571 174.913 174.913 175.787 -0.874 17519
1338 1 3 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.609 -2.789 17519
1339 1 3 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.498 1.089 17519
1340 1 3 . 1 1 42 42 ILE H H 571 6.526 6.526 7.971 -1.445 17519
1341 1 3 . 1 1 43 43 SER N N 572 121.258 121.258 114.694 6.564 17519
1342 1 3 . 1 1 43 43 SER HA H 572 4.352 4.352 4.608 -0.256 17519
1343 1 3 . 1 1 43 43 SER C C 572 175.617 175.617 174.051 1.566 17519
1344 1 3 . 1 1 43 43 SER CA C 572 60.125 60.125 58.630 1.495 17519
1345 1 3 . 1 1 43 43 SER CB C 572 63.063 63.063 63.299 -0.236 17519
1346 1 3 . 1 1 43 43 SER H H 572 8.618 8.618 8.169 0.449 17519
1347 1 3 . 1 1 44 44 GLY N N 573 111.836 111.836 112.075 -0.239 17519
1348 1 3 . 1 1 44 44 GLY C C 573 173.828 173.828 173.392 0.436 17519
1349 1 3 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.065 -0.210 17519
1350 1 3 . 1 1 44 44 GLY H H 573 8.691 8.691 8.713 -0.022 17519
1351 1 3 . 1 1 45 45 TYR N N 574 116.297 116.297 120.258 -3.961 17519
1352 1 3 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.720 1.041 17519
1353 1 3 . 1 1 45 45 TYR C C 574 175.520 175.520 174.293 1.227 17519
1354 1 3 . 1 1 45 45 TYR CA C 574 56.519 56.519 56.593 -0.074 17519
1355 1 3 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.450 1.467 17519
1356 1 3 . 1 1 45 45 TYR H H 574 7.854 7.854 7.563 0.291 17519
1357 1 3 . 1 1 46 46 ALA N N 575 126.117 126.117 122.403 3.714 17519
1358 1 3 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.669 0.738 17519
1359 1 3 . 1 1 46 46 ALA C C 575 176.096 176.096 174.799 1.297 17519
1360 1 3 . 1 1 46 46 ALA CA C 575 50.372 50.372 51.123 -0.751 17519
1361 1 3 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.313 3.053 17519
1362 1 3 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.588 0.122 17519
1363 1 3 . 1 1 47 47 LYS C C 576 173.794 173.794 174.600 -0.806 17519
1364 1 3 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.167 0.223 17519
1365 1 3 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.673 0.268 17519
1366 1 3 . 1 1 48 48 ILE N N 577 120.000 120.000 115.646 4.354 17519
1367 1 3 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.629 -0.184 17519
1368 1 3 . 1 1 48 48 ILE C C 577 171.242 171.242 173.453 -2.211 17519
1369 1 3 . 1 1 48 48 ILE CA C 577 60.380 60.380 60.502 -0.122 17519
1370 1 3 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.127 0.189 17519
1371 1 3 . 1 1 48 48 ILE H H 577 8.041 8.041 8.841 -0.800 17519
1372 1 3 . 1 1 49 49 THR N N 578 122.357 122.357 120.326 2.031 17519
1373 1 3 . 1 1 49 49 THR HA H 578 5.344 5.344 5.471 -0.127 17519
1374 1 3 . 1 1 49 49 THR C C 578 173.601 173.601 173.850 -0.249 17519
1375 1 3 . 1 1 49 49 THR CA C 578 61.849 61.849 61.240 0.609 17519
1376 1 3 . 1 1 49 49 THR CB C 578 70.593 70.593 70.509 0.084 17519
1377 1 3 . 1 1 49 49 THR H H 578 8.043 8.043 8.314 -0.271 17519
1378 1 3 . 1 1 50 50 VAL N N 579 126.489 126.489 126.248 0.241 17519
1379 1 3 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.203 -0.063 17519
1380 1 3 . 1 1 50 50 VAL C C 579 174.015 174.015 174.109 -0.094 17519
1381 1 3 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.282 -0.030 17519
1382 1 3 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.655 -0.502 17519
1383 1 3 . 1 1 50 50 VAL H H 579 9.349 9.349 8.617 0.732 17519
1384 1 3 . 1 1 51 51 ASP N N 580 126.891 126.891 126.065 0.826 17519
1385 1 3 . 1 1 51 51 ASP HA H 580 4.867 4.867 4.998 -0.131 17519
1386 1 3 . 1 1 51 51 ASP C C 580 176.752 176.752 176.284 0.468 17519
1387 1 3 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.501 0.025 17519
1388 1 3 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.015 -0.199 17519
1389 1 3 . 1 1 51 51 ASP H H 580 8.616 8.616 8.440 0.176 17519
1390 1 3 . 1 1 52 52 ILE N N 581 118.893 118.893 118.675 0.218 17519
1391 1 3 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.647 -0.059 17519
1392 1 3 . 1 1 52 52 ILE C C 581 176.717 176.717 176.514 0.203 17519
1393 1 3 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.120 -0.018 17519
1394 1 3 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.666 -0.612 17519
1395 1 3 . 1 1 52 52 ILE H H 581 8.627 8.627 7.874 0.753 17519
1396 1 3 . 1 1 53 53 GLY N N 582 114.728 114.728 111.005 3.723 17519
1397 1 3 . 1 1 53 53 GLY C C 582 174.442 174.442 175.200 -0.758 17519
1398 1 3 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.086 0.519 17519
1399 1 3 . 1 1 53 53 GLY H H 582 9.075 9.075 8.323 0.752 17519
1400 1 3 . 1 1 54 54 SER N N 583 120.404 120.404 114.603 5.801 17519
1401 1 3 . 1 1 54 54 SER HA H 583 4.549 4.549 4.666 -0.117 17519
1402 1 3 . 1 1 54 54 SER C C 583 175.149 175.149 172.649 2.500 17519
1403 1 3 . 1 1 54 54 SER CA C 583 58.133 58.133 57.546 0.587 17519
1404 1 3 . 1 1 54 54 SER CB C 583 63.647 63.647 63.557 0.090 17519
1405 1 3 . 1 1 54 54 SER H H 583 8.812 8.812 7.941 0.871 17519
1406 1 3 . 1 1 55 55 ALA N N 584 125.527 125.527 122.004 3.523 17519
1407 1 3 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.659 -0.242 17519
1408 1 3 . 1 1 55 55 ALA C C 584 175.867 175.867 175.272 0.595 17519
1409 1 3 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.920 0.447 17519
1410 1 3 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.870 -0.806 17519
1411 1 3 . 1 1 55 55 ALA H H 584 7.820 7.820 8.067 -0.247 17519
1412 1 3 . 1 1 56 56 SER N N 585 109.786 109.786 115.112 -5.326 17519
1413 1 3 . 1 1 56 56 SER HA H 585 4.564 4.564 4.549 0.015 17519
1414 1 3 . 1 1 56 56 SER C C 585 173.978 173.978 173.776 0.202 17519
1415 1 3 . 1 1 56 56 SER CA C 585 58.220 58.220 58.350 -0.130 17519
1416 1 3 . 1 1 56 56 SER CB C 585 64.962 64.962 63.718 1.244 17519
1417 1 3 . 1 1 56 56 SER H H 585 8.785 8.785 8.625 0.160 17519
1418 1 3 . 1 1 57 57 GLN N N 586 116.690 116.690 119.607 -2.917 17519
1419 1 3 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.883 0.265 17519
1420 1 3 . 1 1 57 57 GLN C C 586 172.923 172.923 173.465 -0.542 17519
1421 1 3 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.475 -1.479 17519
1422 1 3 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.957 1.583 17519
1423 1 3 . 1 1 57 57 GLN H H 586 7.144 7.144 7.576 -0.432 17519
1424 1 3 . 1 1 58 58 LEU N N 587 123.011 123.011 122.780 0.231 17519
1425 1 3 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.076 -0.408 17519
1426 1 3 . 1 1 58 58 LEU C C 587 173.426 173.426 174.367 -0.941 17519
1427 1 3 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.898 -0.520 17519
1428 1 3 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.335 1.323 17519
1429 1 3 . 1 1 58 58 LEU H H 587 9.226 9.226 9.299 -0.073 17519
1430 1 3 . 1 1 59 59 GLU N N 588 129.185 129.185 123.435 5.750 17519
1431 1 3 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.511 -0.202 17519
1432 1 3 . 1 1 59 59 GLU C C 588 175.409 175.409 175.211 0.198 17519
1433 1 3 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.845 0.805 17519
1434 1 3 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.089 -0.041 17519
1435 1 3 . 1 1 59 59 GLU H H 588 8.830 8.830 8.879 -0.049 17519
1436 1 3 . 1 1 60 60 ALA N N 589 126.011 126.011 124.453 1.558 17519
1437 1 3 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.319 0.584 17519
1438 1 3 . 1 1 60 60 ALA C C 589 174.861 174.861 175.597 -0.736 17519
1439 1 3 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.375 -0.228 17519
1440 1 3 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.889 1.968 17519
1441 1 3 . 1 1 60 60 ALA H H 589 9.748 9.748 8.979 0.769 17519
1442 1 3 . 1 1 61 61 ALA N N 590 120.783 120.783 123.467 -2.684 17519
1443 1 3 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.186 -0.369 17519
1444 1 3 . 1 1 61 61 ALA C C 590 174.731 174.731 175.244 -0.513 17519
1445 1 3 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.883 0.245 17519
1446 1 3 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.532 0.568 17519
1447 1 3 . 1 1 61 61 ALA H H 590 9.392 9.392 8.843 0.549 17519
1448 1 3 . 1 1 62 62 PHE N N 591 116.572 116.572 118.619 -2.047 17519
1449 1 3 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.807 1.200 17519
1450 1 3 . 1 1 62 62 PHE C C 591 175.059 175.059 174.362 0.697 17519
1451 1 3 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.059 0.397 17519
1452 1 3 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.201 1.122 17519
1453 1 3 . 1 1 62 62 PHE H H 591 8.394 8.394 8.868 -0.474 17519
1454 1 3 . 1 1 63 63 ASN N N 592 116.166 116.166 119.715 -3.549 17519
1455 1 3 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.383 -0.219 17519
1456 1 3 . 1 1 63 63 ASN C C 592 172.073 172.073 175.080 -3.007 17519
1457 1 3 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.176 2.551 17519
1458 1 3 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.915 0.317 17519
1459 1 3 . 1 1 63 63 ASN H H 592 9.117 9.117 8.556 0.561 17519
1460 1 3 . 1 1 64 64 ASP N N 593 118.039 118.039 118.768 -0.729 17519
1461 1 3 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.109 0.110 17519
1462 1 3 . 1 1 64 64 ASP C C 593 177.248 177.248 176.736 0.512 17519
1463 1 3 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.130 -2.879 17519
1464 1 3 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.098 -0.376 17519
1465 1 3 . 1 1 64 64 ASP H H 593 7.558 7.558 7.796 -0.238 17519
1466 1 3 . 1 1 65 65 GLY N N 594 110.622 110.622 107.432 3.190 17519
1467 1 3 . 1 1 65 65 GLY C C 594 173.126 173.126 173.028 0.098 17519
1468 1 3 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.353 0.176 17519
1469 1 3 . 1 1 65 65 GLY H H 594 8.742 8.742 8.005 0.737 17519
1470 1 3 . 1 1 66 66 ASN N N 595 120.863 120.863 119.931 0.932 17519
1471 1 3 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.777 -0.020 17519
1472 1 3 . 1 1 66 66 ASN C C 595 174.434 174.434 173.741 0.693 17519
1473 1 3 . 1 1 66 66 ASN CA C 595 52.167 52.167 54.115 -1.948 17519
1474 1 3 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.830 0.558 17519
1475 1 3 . 1 1 66 66 ASN H H 595 8.424 8.424 7.883 0.541 17519
1476 1 3 . 1 1 67 67 ASN N N 596 113.308 113.308 117.004 -3.696 17519
1477 1 3 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.734 -0.504 17519
1478 1 3 . 1 1 67 67 ASN C C 596 173.796 173.796 174.431 -0.635 17519
1479 1 3 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.082 0.343 17519
1480 1 3 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.320 -1.167 17519
1481 1 3 . 1 1 67 67 ASN H H 596 8.744 8.744 8.792 -0.048 17519
1482 1 3 . 1 1 68 68 ASN N N 597 118.418 118.418 121.141 -2.723 17519
1483 1 3 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.166 -0.048 17519
1484 1 3 . 1 1 68 68 ASN C C 597 173.474 173.474 173.085 0.389 17519
1485 1 3 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.848 0.290 17519
1486 1 3 . 1 1 68 68 ASN CB C 597 38.622 38.622 39.910 -1.288 17519
1487 1 3 . 1 1 68 68 ASN H H 597 8.032 8.032 8.200 -0.168 17519
1488 1 3 . 1 1 69 69 TRP N N 598 120.990 120.990 122.529 -1.539 17519
1489 1 3 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.200 -0.344 17519
1490 1 3 . 1 1 69 69 TRP C C 598 176.220 176.220 176.443 -0.223 17519
1491 1 3 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.111 1.122 17519
1492 1 3 . 1 1 69 69 TRP CB C 598 32.219 32.219 32.196 0.023 17519
1493 1 3 . 1 1 69 69 TRP H H 598 8.842 8.842 8.773 0.069 17519
1494 1 3 . 1 1 70 70 ASP N N 599 122.210 122.210 123.699 -1.489 17519
1495 1 3 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.169 0.078 17519
1496 1 3 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.140 -0.894 17519
1497 1 3 . 1 1 70 70 ASP CB C 599 41.898 41.898 40.734 1.164 17519
1498 1 3 . 1 1 70 70 ASP H H 599 9.831 9.831 8.756 1.075 17519
1499 1 3 . 1 1 71 71 SER N N 600 117.252 117.252 117.658 -0.406 17519
1500 1 3 . 1 1 71 71 SER HA H 600 5.141 5.141 4.512 0.629 17519
1501 1 3 . 1 1 71 71 SER CA C 600 55.907 55.907 60.529 -4.622 17519
1502 1 3 . 1 1 71 71 SER H H 600 9.328 9.328 8.499 0.829 17519
1503 1 3 . 1 1 72 72 ASN N N 601 123.197 123.197 115.128 8.069 17519
1504 1 3 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.655 -0.226 17519
1505 1 3 . 1 1 72 72 ASN C C 601 176.895 176.895 174.186 2.709 17519
1506 1 3 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.395 -1.302 17519
1507 1 3 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.673 0.477 17519
1508 1 3 . 1 1 72 72 ASN H H 601 8.715 8.715 8.152 0.563 17519
1509 1 3 . 1 1 73 73 ASN N N 602 116.099 116.099 115.936 0.163 17519
1510 1 3 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.746 -0.302 17519
1511 1 3 . 1 1 73 73 ASN C C 602 176.304 176.304 175.363 0.941 17519
1512 1 3 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.630 -0.165 17519
1513 1 3 . 1 1 73 73 ASN CB C 602 37.277 37.277 39.979 -2.702 17519
1514 1 3 . 1 1 73 73 ASN H H 602 9.184 9.184 8.054 1.130 17519
1515 1 3 . 1 1 74 74 THR N N 603 110.445 110.445 113.300 -2.855 17519
1516 1 3 . 1 1 74 74 THR HA H 603 3.835 3.835 4.356 -0.521 17519
1517 1 3 . 1 1 74 74 THR C C 603 173.186 173.186 172.944 0.242 17519
1518 1 3 . 1 1 74 74 THR CA C 603 65.006 65.006 63.432 1.574 17519
1519 1 3 . 1 1 74 74 THR CB C 603 69.653 69.653 68.956 0.697 17519
1520 1 3 . 1 1 74 74 THR H H 603 7.829 7.829 8.124 -0.295 17519
1521 1 3 . 1 1 75 75 LYS N N 604 121.909 121.909 119.631 2.278 17519
1522 1 3 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.374 -0.237 17519
1523 1 3 . 1 1 75 75 LYS C C 604 177.262 177.262 176.926 0.336 17519
1524 1 3 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.035 1.732 17519
1525 1 3 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.001 0.375 17519
1526 1 3 . 1 1 75 75 LYS H H 604 7.714 7.714 7.975 -0.261 17519
1527 1 3 . 1 1 76 76 ASN N N 605 108.823 108.823 115.793 -6.970 17519
1528 1 3 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.208 -0.268 17519
1529 1 3 . 1 1 76 76 ASN C C 605 171.742 171.742 174.534 -2.792 17519
1530 1 3 . 1 1 76 76 ASN CA C 605 54.159 54.159 55.319 -1.160 17519
1531 1 3 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.252 0.775 17519
1532 1 3 . 1 1 76 76 ASN H H 605 8.274 8.274 7.662 0.612 17519
1533 1 3 . 1 1 77 77 TYR N N 606 117.628 117.628 117.937 -0.309 17519
1534 1 3 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.566 0.261 17519
1535 1 3 . 1 1 77 77 TYR C C 606 174.468 174.468 174.789 -0.321 17519
1536 1 3 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.165 0.404 17519
1537 1 3 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.487 1.068 17519
1538 1 3 . 1 1 77 77 TYR H H 606 9.055 9.055 8.647 0.408 17519
1539 1 3 . 1 1 78 78 LEU N N 607 121.811 121.811 120.644 1.167 17519
1540 1 3 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.256 1.047 17519
1541 1 3 . 1 1 78 78 LEU C C 607 175.673 175.673 175.180 0.493 17519
1542 1 3 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.227 -0.983 17519
1543 1 3 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.737 1.234 17519
1544 1 3 . 1 1 78 78 LEU H H 607 7.983 7.983 8.252 -0.269 17519
1545 1 3 . 1 1 79 79 PHE N N 608 121.390 121.390 123.887 -2.497 17519
1546 1 3 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.860 -0.033 17519
1547 1 3 . 1 1 79 79 PHE C C 608 175.786 175.786 174.756 1.030 17519
1548 1 3 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.598 0.253 17519
1549 1 3 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.618 -0.056 17519
1550 1 3 . 1 1 79 79 PHE H H 608 9.240 9.240 8.867 0.373 17519
1551 1 3 . 1 1 80 80 SER N N 609 117.589 117.589 116.479 1.110 17519
1552 1 3 . 1 1 80 80 SER HA H 609 4.979 4.979 4.764 0.215 17519
1553 1 3 . 1 1 80 80 SER C C 609 173.269 173.269 174.230 -0.961 17519
1554 1 3 . 1 1 80 80 SER CA C 609 57.811 57.811 56.128 1.683 17519
1555 1 3 . 1 1 80 80 SER CB C 609 64.856 64.856 64.899 -0.043 17519
1556 1 3 . 1 1 80 80 SER H H 609 8.948 8.948 8.745 0.203 17519
1557 1 3 . 1 1 81 81 THR N N 610 112.845 112.845 113.336 -0.491 17519
1558 1 3 . 1 1 81 81 THR HA H 610 3.871 3.871 4.217 -0.346 17519
1559 1 3 . 1 1 81 81 THR C C 610 174.439 174.439 175.456 -1.017 17519
1560 1 3 . 1 1 81 81 THR CA C 610 64.353 64.353 63.463 0.890 17519
1561 1 3 . 1 1 81 81 THR CB C 610 69.421 69.421 69.208 0.213 17519
1562 1 3 . 1 1 82 82 GLY N N 611 112.157 112.157 110.907 1.250 17519
1563 1 3 . 1 1 82 82 GLY C C 611 174.430 174.430 172.563 1.867 17519
1564 1 3 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.706 -0.840 17519
1565 1 3 . 1 1 82 82 GLY H H 611 8.468 8.468 8.011 0.457 17519
1566 1 3 . 1 1 83 83 THR N N 612 120.992 120.992 118.902 2.090 17519
1567 1 3 . 1 1 83 83 THR HA H 612 5.483 5.483 4.994 0.489 17519
1568 1 3 . 1 1 83 83 THR C C 612 174.819 174.819 173.643 1.176 17519
1569 1 3 . 1 1 83 83 THR CA C 612 62.563 62.563 61.977 0.585 17519
1570 1 3 . 1 1 83 83 THR CB C 612 70.093 70.093 70.885 -0.791 17519
1571 1 3 . 1 1 83 83 THR H H 612 8.736 8.736 8.225 0.511 17519
1572 1 3 . 1 1 84 84 SER N N 613 122.602 122.602 119.896 2.706 17519
1573 1 3 . 1 1 84 84 SER HA H 613 5.489 5.489 4.946 0.543 17519
1574 1 3 . 1 1 84 84 SER C C 613 172.064 172.064 172.697 -0.633 17519
1575 1 3 . 1 1 84 84 SER CA C 613 58.813 58.813 57.070 1.743 17519
1576 1 3 . 1 1 84 84 SER CB C 613 67.694 67.694 65.261 2.433 17519
1577 1 3 . 1 1 84 84 SER H H 613 9.051 9.051 9.070 -0.019 17519
1578 1 3 . 1 1 85 85 THR N N 614 117.759 117.759 120.381 -2.622 17519
1579 1 3 . 1 1 85 85 THR HA H 614 5.256 5.256 5.043 0.213 17519
1580 1 3 . 1 1 85 85 THR C C 614 173.632 173.632 172.681 0.951 17519
1581 1 3 . 1 1 85 85 THR CA C 614 62.724 62.724 61.924 0.800 17519
1582 1 3 . 1 1 85 85 THR CB C 614 70.908 70.908 70.137 0.771 17519
1583 1 3 . 1 1 85 85 THR H H 614 9.523 9.523 8.663 0.860 17519
1584 1 3 . 1 1 86 86 TYR N N 615 131.519 131.519 129.653 1.866 17519
1585 1 3 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.781 0.432 17519
1586 1 3 . 1 1 86 86 TYR C C 615 172.999 172.999 174.149 -1.150 17519
1587 1 3 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.527 0.636 17519
1588 1 3 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.437 1.132 17519
1589 1 3 . 1 1 86 86 TYR H H 615 10.029 10.029 9.699 0.330 17519
1590 1 3 . 1 1 87 87 THR N N 616 124.674 124.674 124.734 -0.060 17519
1591 1 3 . 1 1 87 87 THR HA H 616 4.370 4.370 4.884 -0.514 17519
1592 1 3 . 1 1 87 87 THR CA C 616 58.725 58.725 59.971 -1.246 17519
1593 1 3 . 1 1 87 87 THR CB C 616 70.070 70.070 68.925 1.145 17519
1594 1 3 . 1 1 87 87 THR H H 616 8.027 8.027 8.748 -0.721 17519
1595 1 3 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.607 -0.515 17519
1596 1 3 . 1 1 88 88 PRO C C 617 177.011 177.011 177.061 -0.050 17519
1597 1 3 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.176 0.711 17519
1598 1 3 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.657 -0.334 17519
1599 1 3 . 1 1 89 89 GLY N N 618 108.881 108.881 108.505 0.376 17519
1600 1 3 . 1 1 89 89 GLY C C 618 173.673 173.673 174.462 -0.789 17519
1601 1 3 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.212 -0.216 17519
1602 1 3 . 1 1 89 89 GLY H H 618 8.261 8.261 8.282 -0.021 17519
1603 1 3 . 1 1 90 90 SER N N 619 114.743 114.743 114.542 0.201 17519
1604 1 3 . 1 1 90 90 SER HA H 619 4.537 4.537 4.559 -0.022 17519
1605 1 3 . 1 1 90 90 SER C C 619 175.706 175.706 175.088 0.618 17519
1606 1 3 . 1 1 90 90 SER CA C 619 57.617 57.617 58.557 -0.940 17519
1607 1 3 . 1 1 90 90 SER CB C 619 64.294 64.294 64.081 0.213 17519
1608 1 3 . 1 1 90 90 SER H H 619 8.380 8.380 8.407 -0.027 17519
1609 1 3 . 1 1 91 91 ASN N N 620 121.360 121.360 122.661 -1.301 17519
1610 1 3 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.853 -0.441 17519
1611 1 3 . 1 1 91 91 ASN C C 620 175.289 175.289 174.845 0.444 17519
1612 1 3 . 1 1 91 91 ASN CA C 620 54.353 54.353 52.574 1.779 17519
1613 1 3 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.094 0.639 17519
1614 1 3 . 1 1 91 91 ASN H H 620 9.296 9.296 8.200 1.096 17519
1615 1 3 . 1 1 92 92 GLY N N 621 105.883 105.883 107.933 -2.050 17519
1616 1 3 . 1 1 92 92 GLY C C 621 174.510 174.510 173.581 0.929 17519
1617 1 3 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.197 -0.968 17519
1618 1 3 . 1 1 92 92 GLY H H 621 8.528 8.528 7.927 0.601 17519
1619 1 3 . 1 1 93 93 ALA N N 622 123.803 123.803 121.669 2.134 17519
1620 1 3 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.553 -0.137 17519
1621 1 3 . 1 1 93 93 ALA C C 622 176.820 176.820 176.441 0.379 17519
1622 1 3 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.801 1.050 17519
1623 1 3 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.224 -0.420 17519
1624 1 3 . 1 1 93 93 ALA H H 622 7.486 7.486 7.908 -0.422 17519
1625 1 3 . 1 1 94 94 ALA N N 623 123.284 123.284 127.316 -4.032 17519
1626 1 3 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.237 0.353 17519
1627 1 3 . 1 1 94 94 ALA C C 623 178.770 178.770 177.673 1.097 17519
1628 1 3 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.201 -0.574 17519
1629 1 3 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.518 0.569 17519
1630 1 3 . 1 1 94 94 ALA H H 623 8.397 8.397 8.598 -0.201 17519
1631 1 3 . 1 1 95 95 GLY N N 624 108.970 108.970 108.759 0.211 17519
1632 1 3 . 1 1 95 95 GLY C C 624 173.156 173.156 173.287 -0.131 17519
1633 1 3 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.706 0.151 17519
1634 1 3 . 1 1 95 95 GLY H H 624 8.438 8.438 8.495 -0.057 17519
1635 1 3 . 1 1 96 96 THR N N 625 108.929 108.929 111.129 -2.200 17519
1636 1 3 . 1 1 96 96 THR HA H 625 4.603 4.603 4.389 0.214 17519
1637 1 3 . 1 1 96 96 THR C C 625 172.765 172.765 172.456 0.309 17519
1638 1 3 . 1 1 96 96 THR CA C 625 60.350 60.350 60.829 -0.479 17519
1639 1 3 . 1 1 96 96 THR CB C 625 72.295 72.295 71.598 0.697 17519
1640 1 3 . 1 1 96 96 THR H H 625 7.833 7.833 7.582 0.251 17519
1641 1 3 . 1 1 97 97 ILE N N 626 123.623 123.623 119.386 4.237 17519
1642 1 3 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.013 -0.196 17519
1643 1 3 . 1 1 97 97 ILE C C 626 175.596 175.596 175.303 0.293 17519
1644 1 3 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.810 1.239 17519
1645 1 3 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.503 1.675 17519
1646 1 3 . 1 1 97 97 ILE H H 626 8.594 8.594 8.075 0.519 17519
1647 1 3 . 1 1 98 98 ARG N N 627 127.431 127.431 128.528 -1.097 17519
1648 1 3 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.699 0.236 17519
1649 1 3 . 1 1 98 98 ARG C C 627 175.183 175.183 175.400 -0.217 17519
1650 1 3 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.513 -0.745 17519
1651 1 3 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.402 1.374 17519
1652 1 3 . 1 1 98 98 ARG H H 627 8.979 8.979 9.044 -0.065 17519
1653 1 3 . 1 1 99 99 THR N N 628 118.452 118.452 120.235 -1.783 17519
1654 1 3 . 1 1 99 99 THR HA H 628 4.410 4.410 4.519 -0.109 17519
1655 1 3 . 1 1 99 99 THR C C 628 174.845 174.845 175.089 -0.244 17519
1656 1 3 . 1 1 99 99 THR CA C 628 63.962 63.962 62.385 1.577 17519
1657 1 3 . 1 1 99 99 THR CB C 628 69.488 69.488 69.275 0.213 17519
1658 1 3 . 1 1 99 99 THR H H 628 8.697 8.697 8.457 0.240 17519
1659 1 3 . 1 1 100 100 GLY N N 629 114.137 114.137 109.502 4.635 17519
1660 1 3 . 1 1 100 100 GLY C C 629 171.903 171.903 172.690 -0.787 17519
1661 1 3 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.418 -0.671 17519
1662 1 3 . 1 1 100 100 GLY H H 629 8.626 8.626 8.484 0.142 17519
1663 1 3 . 1 1 101 101 ALA N N 630 120.627 120.627 124.566 -3.939 17519
1664 1 3 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.181 -0.489 17519
1665 1 3 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.746 -1.318 17519
1666 1 3 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.305 -0.234 17519
1667 1 3 . 1 1 101 101 ALA H H 630 7.980 7.980 8.187 -0.207 17519
1668 1 3 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.510 -0.385 17519
1669 1 3 . 1 1 102 102 PRO C C 631 175.721 175.721 175.979 -0.258 17519
1670 1 3 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.431 0.509 17519
1671 1 3 . 1 1 102 102 PRO CB C 631 31.745 31.745 33.016 -1.271 17519
1672 1 3 . 1 1 103 103 SER N N 632 113.689 113.689 115.604 -1.915 17519
1673 1 3 . 1 1 103 103 SER HA H 632 4.295 4.295 4.475 -0.180 17519
1674 1 3 . 1 1 103 103 SER C C 632 173.816 173.816 174.203 -0.387 17519
1675 1 3 . 1 1 103 103 SER CA C 632 57.689 57.689 57.616 0.073 17519
1676 1 3 . 1 1 103 103 SER CB C 632 64.133 64.133 63.130 1.003 17519
1677 1 3 . 1 1 103 103 SER H H 632 7.969 7.969 8.362 -0.393 17519
1678 1 4 . 1 1 2 2 GLY C C 531 174.309 174.309 172.466 1.843 17519
1679 1 4 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.663 -0.487 17519
1680 1 4 . 1 1 3 3 THR N N 532 113.802 113.802 112.498 1.304 17519
1681 1 4 . 1 1 3 3 THR HA H 532 4.429 4.429 5.060 -0.631 17519
1682 1 4 . 1 1 3 3 THR C C 532 174.430 174.430 173.374 1.056 17519
1683 1 4 . 1 1 3 3 THR CA C 532 61.577 61.577 60.550 1.027 17519
1684 1 4 . 1 1 3 3 THR CB C 532 69.849 69.849 71.491 -1.642 17519
1685 1 4 . 1 1 3 3 THR H H 532 8.140 8.140 7.684 0.456 17519
1686 1 4 . 1 1 4 4 THR N N 533 115.407 115.407 117.155 -1.748 17519
1687 1 4 . 1 1 4 4 THR HA H 533 4.350 4.350 4.247 0.103 17519
1688 1 4 . 1 1 4 4 THR C C 533 173.831 173.831 172.745 1.086 17519
1689 1 4 . 1 1 4 4 THR CA C 533 60.266 60.266 63.557 -3.291 17519
1690 1 4 . 1 1 4 4 THR CB C 533 69.788 69.788 69.585 0.203 17519
1691 1 4 . 1 1 4 4 THR H H 533 8.019 8.019 9.643 -1.624 17519
1692 1 4 . 1 1 5 5 ASN N N 534 121.822 121.822 118.906 2.916 17519
1693 1 4 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.966 -0.130 17519
1694 1 4 . 1 1 5 5 ASN C C 534 174.057 174.057 173.697 0.360 17519
1695 1 4 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.259 0.427 17519
1696 1 4 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.705 -1.549 17519
1697 1 4 . 1 1 5 5 ASN H H 534 8.863 8.863 8.171 0.692 17519
1698 1 4 . 1 1 6 6 LYS N N 535 119.369 119.369 117.215 2.154 17519
1699 1 4 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.935 0.250 17519
1700 1 4 . 1 1 6 6 LYS C C 535 175.924 175.924 175.205 0.719 17519
1701 1 4 . 1 1 6 6 LYS CA C 535 54.531 54.531 54.975 -0.444 17519
1702 1 4 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.370 -0.354 17519
1703 1 4 . 1 1 6 6 LYS H H 535 8.347 8.347 8.272 0.075 17519
1704 1 4 . 1 1 7 7 VAL N N 536 123.112 123.112 117.920 5.192 17519
1705 1 4 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.583 -0.010 17519
1706 1 4 . 1 1 7 7 VAL C C 536 174.602 174.602 174.562 0.040 17519
1707 1 4 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.375 0.770 17519
1708 1 4 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.919 1.854 17519
1709 1 4 . 1 1 7 7 VAL H H 536 8.828 8.828 9.074 -0.246 17519
1710 1 4 . 1 1 8 8 THR N N 537 125.255 125.255 124.182 1.073 17519
1711 1 4 . 1 1 8 8 THR HA H 537 5.396 5.396 5.343 0.053 17519
1712 1 4 . 1 1 8 8 THR C C 537 173.129 173.129 173.824 -0.695 17519
1713 1 4 . 1 1 8 8 THR CA C 537 61.611 61.611 61.466 0.145 17519
1714 1 4 . 1 1 8 8 THR CB C 537 70.113 70.113 69.624 0.489 17519
1715 1 4 . 1 1 8 8 THR H H 537 8.914 8.914 8.362 0.552 17519
1716 1 4 . 1 1 9 9 VAL N N 538 126.696 126.696 126.800 -0.104 17519
1717 1 4 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.752 -0.218 17519
1718 1 4 . 1 1 9 9 VAL C C 538 175.565 175.565 174.386 1.179 17519
1719 1 4 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.903 -0.024 17519
1720 1 4 . 1 1 9 9 VAL CB C 538 35.179 35.179 33.649 1.530 17519
1721 1 4 . 1 1 9 9 VAL H H 538 8.585 8.585 8.839 -0.254 17519
1722 1 4 . 1 1 10 10 TYR N N 539 124.488 124.488 127.959 -3.471 17519
1723 1 4 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.253 0.005 17519
1724 1 4 . 1 1 10 10 TYR C C 539 174.309 174.309 174.721 -0.412 17519
1725 1 4 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.917 0.349 17519
1726 1 4 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.133 -0.723 17519
1727 1 4 . 1 1 10 10 TYR H H 539 9.111 9.111 9.131 -0.020 17519
1728 1 4 . 1 1 11 11 TYR N N 540 125.848 125.848 125.386 0.462 17519
1729 1 4 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.666 -0.640 17519
1730 1 4 . 1 1 11 11 TYR C C 540 173.346 173.346 173.743 -0.397 17519
1731 1 4 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.596 2.006 17519
1732 1 4 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.939 0.019 17519
1733 1 4 . 1 1 11 11 TYR H H 540 9.580 9.580 9.152 0.428 17519
1734 1 4 . 1 1 12 12 LYS N N 541 131.489 131.489 127.522 3.967 17519
1735 1 4 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.787 -0.335 17519
1736 1 4 . 1 1 12 12 LYS C C 541 172.904 172.904 174.813 -1.909 17519
1737 1 4 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.803 0.912 17519
1738 1 4 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.919 0.178 17519
1739 1 4 . 1 1 12 12 LYS H H 541 8.406 8.406 8.604 -0.198 17519
1740 1 4 . 1 1 13 13 LYS N N 542 125.132 125.132 124.426 0.706 17519
1741 1 4 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.031 -0.093 17519
1742 1 4 . 1 1 13 13 LYS C C 542 180.078 180.078 176.348 3.730 17519
1743 1 4 . 1 1 13 13 LYS CA C 542 52.436 52.436 55.618 -3.183 17519
1744 1 4 . 1 1 13 13 LYS CB C 542 31.605 31.605 33.284 -1.679 17519
1745 1 4 . 1 1 13 13 LYS H H 542 7.515 7.515 7.765 -0.250 17519
1746 1 4 . 1 1 14 14 GLY N N 543 112.724 112.724 112.144 0.580 17519
1747 1 4 . 1 1 14 14 GLY C C 543 174.151 174.151 173.514 0.637 17519
1748 1 4 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.863 1.427 17519
1749 1 4 . 1 1 14 14 GLY H H 543 7.629 7.629 8.230 -0.601 17519
1750 1 4 . 1 1 15 15 PHE N N 544 121.583 121.583 122.122 -0.539 17519
1751 1 4 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.793 -0.071 17519
1752 1 4 . 1 1 15 15 PHE C C 544 175.876 175.876 176.454 -0.578 17519
1753 1 4 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.550 -1.440 17519
1754 1 4 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.367 -1.976 17519
1755 1 4 . 1 1 15 15 PHE H H 544 8.557 8.557 9.003 -0.446 17519
1756 1 4 . 1 1 16 16 ASN N N 545 117.559 117.559 115.747 1.812 17519
1757 1 4 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.840 -0.376 17519
1758 1 4 . 1 1 16 16 ASN C C 545 176.289 176.289 174.203 2.086 17519
1759 1 4 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.261 3.159 17519
1760 1 4 . 1 1 16 16 ASN CB C 545 39.263 39.263 40.550 -1.287 17519
1761 1 4 . 1 1 16 16 ASN H H 545 8.561 8.561 8.840 -0.279 17519
1762 1 4 . 1 1 17 17 SER N N 546 112.901 112.901 113.278 -0.377 17519
1763 1 4 . 1 1 17 17 SER HA H 546 4.862 4.862 4.777 0.085 17519
1764 1 4 . 1 1 17 17 SER CA C 546 53.586 53.586 57.009 -3.423 17519
1765 1 4 . 1 1 17 17 SER CB C 546 63.708 63.708 63.849 -0.141 17519
1766 1 4 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.421 0.172 17519
1767 1 4 . 1 1 18 18 PRO C C 547 175.806 175.806 175.603 0.203 17519
1768 1 4 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.424 0.097 17519
1769 1 4 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.529 0.134 17519
1770 1 4 . 1 1 19 19 TYR N N 548 122.230 122.230 120.558 1.672 17519
1771 1 4 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.438 0.439 17519
1772 1 4 . 1 1 19 19 TYR C C 548 174.660 174.660 175.099 -0.439 17519
1773 1 4 . 1 1 19 19 TYR CA C 548 56.660 56.660 58.009 -1.349 17519
1774 1 4 . 1 1 19 19 TYR CB C 548 40.462 40.462 41.819 -1.357 17519
1775 1 4 . 1 1 19 19 TYR H H 548 9.141 9.141 8.463 0.678 17519
1776 1 4 . 1 1 20 20 ILE N N 549 118.425 118.425 115.100 3.325 17519
1777 1 4 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.730 0.342 17519
1778 1 4 . 1 1 20 20 ILE C C 549 171.422 171.422 173.554 -2.132 17519
1779 1 4 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.759 -0.330 17519
1780 1 4 . 1 1 20 20 ILE CB C 549 41.756 41.756 40.271 1.485 17519
1781 1 4 . 1 1 21 21 HIS N N 550 133.248 133.248 125.820 7.428 17519
1782 1 4 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.606 0.757 17519
1783 1 4 . 1 1 21 21 HIS C C 550 174.988 174.988 173.455 1.533 17519
1784 1 4 . 1 1 21 21 HIS CA C 550 53.915 53.915 53.953 -0.038 17519
1785 1 4 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.142 2.632 17519
1786 1 4 . 1 1 21 21 HIS H H 550 8.956 8.956 8.088 0.868 17519
1787 1 4 . 1 1 22 22 TYR N N 551 121.831 121.831 122.919 -1.088 17519
1788 1 4 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.337 0.846 17519
1789 1 4 . 1 1 22 22 TYR C C 551 173.934 173.934 173.375 0.559 17519
1790 1 4 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.745 1.923 17519
1791 1 4 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.285 1.433 17519
1792 1 4 . 1 1 22 22 TYR H H 551 8.204 8.204 8.176 0.028 17519
1793 1 4 . 1 1 23 23 ARG N N 552 115.619 115.619 119.244 -3.625 17519
1794 1 4 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.769 -0.007 17519
1795 1 4 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.619 -0.139 17519
1796 1 4 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.645 -1.607 17519
1797 1 4 . 1 1 23 23 ARG H H 552 8.674 8.674 8.952 -0.278 17519
1798 1 4 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.441 0.115 17519
1799 1 4 . 1 1 24 24 PRO C C 553 176.736 176.736 176.581 0.155 17519
1800 1 4 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.232 0.120 17519
1801 1 4 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.322 -0.442 17519
1802 1 4 . 1 1 25 25 ALA N N 554 125.908 125.908 125.282 0.626 17519
1803 1 4 . 1 1 25 25 ALA HA H 554 4.022 4.022 4.051 -0.029 17519
1804 1 4 . 1 1 25 25 ALA C C 554 179.217 179.217 176.801 2.416 17519
1805 1 4 . 1 1 25 25 ALA CA C 554 54.085 54.085 52.043 2.042 17519
1806 1 4 . 1 1 25 25 ALA CB C 554 18.232 18.232 17.141 1.091 17519
1807 1 4 . 1 1 25 25 ALA H H 554 8.293 8.293 8.392 -0.099 17519
1808 1 4 . 1 1 26 26 GLY N N 555 111.766 111.766 107.489 4.277 17519
1809 1 4 . 1 1 26 26 GLY C C 555 174.796 174.796 173.487 1.309 17519
1810 1 4 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.004 0.637 17519
1811 1 4 . 1 1 26 26 GLY H H 555 8.602 8.602 8.432 0.170 17519
1812 1 4 . 1 1 27 27 GLY N N 556 109.512 109.512 107.487 2.025 17519
1813 1 4 . 1 1 27 27 GLY C C 556 173.368 173.368 172.576 0.792 17519
1814 1 4 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.930 -0.724 17519
1815 1 4 . 1 1 27 27 GLY H H 556 8.494 8.494 7.740 0.754 17519
1816 1 4 . 1 1 28 28 SER N N 557 117.962 117.962 114.421 3.541 17519
1817 1 4 . 1 1 28 28 SER HA H 557 4.690 4.690 4.508 0.182 17519
1818 1 4 . 1 1 28 28 SER C C 557 173.656 173.656 172.373 1.283 17519
1819 1 4 . 1 1 28 28 SER CA C 557 57.492 57.492 57.100 0.392 17519
1820 1 4 . 1 1 28 28 SER CB C 557 64.803 64.803 64.209 0.594 17519
1821 1 4 . 1 1 28 28 SER H H 557 8.681 8.681 7.731 0.950 17519
1822 1 4 . 1 1 29 29 TRP N N 558 123.928 123.928 122.307 1.621 17519
1823 1 4 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.757 -0.305 17519
1824 1 4 . 1 1 29 29 TRP C C 558 178.891 178.891 177.139 1.752 17519
1825 1 4 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.731 1.343 17519
1826 1 4 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.125 0.581 17519
1827 1 4 . 1 1 29 29 TRP H H 558 8.392 8.392 8.609 -0.217 17519
1828 1 4 . 1 1 30 30 THR N N 559 111.067 111.067 119.987 -8.920 17519
1829 1 4 . 1 1 30 30 THR HA H 559 4.037 4.037 4.275 -0.238 17519
1830 1 4 . 1 1 30 30 THR C C 559 174.782 174.782 174.510 0.272 17519
1831 1 4 . 1 1 30 30 THR CA C 559 61.321 61.321 64.118 -2.797 17519
1832 1 4 . 1 1 30 30 THR CB C 559 70.561 70.561 69.905 0.656 17519
1833 1 4 . 1 1 30 30 THR H H 559 7.953 7.953 8.247 -0.294 17519
1834 1 4 . 1 1 31 31 ALA N N 560 123.046 123.046 123.963 -0.917 17519
1835 1 4 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.236 0.215 17519
1836 1 4 . 1 1 31 31 ALA C C 560 178.493 178.493 176.591 1.902 17519
1837 1 4 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.064 -0.150 17519
1838 1 4 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.715 -0.716 17519
1839 1 4 . 1 1 31 31 ALA H H 560 8.437 8.437 8.412 0.025 17519
1840 1 4 . 1 1 32 32 ALA N N 561 129.644 129.644 127.867 1.777 17519
1841 1 4 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.941 -0.000 17519
1842 1 4 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.996 1.760 17519
1843 1 4 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.379 -2.229 17519
1844 1 4 . 1 1 32 32 ALA H H 561 8.828 8.828 8.235 0.593 17519
1845 1 4 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.251 -0.353 17519
1846 1 4 . 1 1 33 33 PRO C C 562 173.280 173.280 176.596 -3.316 17519
1847 1 4 . 1 1 33 33 PRO CA C 562 63.439 63.439 61.979 1.460 17519
1848 1 4 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.433 0.078 17519
1849 1 4 . 1 1 34 34 GLY N N 563 112.224 112.224 108.889 3.335 17519
1850 1 4 . 1 1 34 34 GLY C C 563 173.977 173.977 173.987 -0.010 17519
1851 1 4 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.811 -1.862 17519
1852 1 4 . 1 1 34 34 GLY H H 563 8.763 8.763 7.990 0.773 17519
1853 1 4 . 1 1 35 35 VAL N N 564 123.427 123.427 117.795 5.632 17519
1854 1 4 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.526 -0.125 17519
1855 1 4 . 1 1 35 35 VAL C C 564 174.734 174.734 174.856 -0.122 17519
1856 1 4 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.404 0.485 17519
1857 1 4 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.701 -0.800 17519
1858 1 4 . 1 1 36 36 LYS N N 565 128.212 128.212 123.512 4.700 17519
1859 1 4 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.693 -0.584 17519
1860 1 4 . 1 1 36 36 LYS C C 565 176.437 176.437 176.478 -0.041 17519
1861 1 4 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.568 1.619 17519
1862 1 4 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.978 0.436 17519
1863 1 4 . 1 1 36 36 LYS H H 565 8.486 8.486 8.310 0.176 17519
1864 1 4 . 1 1 37 37 MET N N 566 124.964 124.964 123.983 0.981 17519
1865 1 4 . 1 1 37 37 MET HA H 566 4.228 4.228 4.158 0.070 17519
1866 1 4 . 1 1 37 37 MET C C 566 175.652 175.652 176.026 -0.374 17519
1867 1 4 . 1 1 37 37 MET CA C 566 56.485 56.485 57.426 -0.941 17519
1868 1 4 . 1 1 37 37 MET CB C 566 35.011 35.011 32.694 2.317 17519
1869 1 4 . 1 1 37 37 MET H H 566 8.202 8.202 8.391 -0.189 17519
1870 1 4 . 1 1 38 38 GLN N N 567 121.561 121.561 122.888 -1.327 17519
1871 1 4 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.457 -0.020 17519
1872 1 4 . 1 1 38 38 GLN C C 567 175.809 175.809 175.132 0.677 17519
1873 1 4 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.740 0.082 17519
1874 1 4 . 1 1 38 38 GLN CB C 567 30.182 30.182 31.072 -0.890 17519
1875 1 4 . 1 1 38 38 GLN H H 567 8.489 8.489 8.461 0.028 17519
1876 1 4 . 1 1 39 39 ASP N N 568 121.881 121.881 124.964 -3.083 17519
1877 1 4 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.407 0.376 17519
1878 1 4 . 1 1 39 39 ASP C C 568 176.715 176.715 175.766 0.949 17519
1879 1 4 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.419 -0.252 17519
1880 1 4 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.521 -1.282 17519
1881 1 4 . 1 1 39 39 ASP H H 568 8.780 8.780 8.758 0.022 17519
1882 1 4 . 1 1 40 40 ALA N N 569 122.696 122.696 126.367 -3.671 17519
1883 1 4 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.256 0.096 17519
1884 1 4 . 1 1 40 40 ALA C C 569 175.165 175.165 177.379 -2.214 17519
1885 1 4 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.708 -1.215 17519
1886 1 4 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.555 1.180 17519
1887 1 4 . 1 1 40 40 ALA H H 569 8.463 8.463 8.074 0.389 17519
1888 1 4 . 1 1 41 41 GLU N N 570 120.083 120.083 117.807 2.276 17519
1889 1 4 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.485 -0.134 17519
1890 1 4 . 1 1 41 41 GLU C C 570 174.683 174.683 177.280 -2.597 17519
1891 1 4 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.484 1.041 17519
1892 1 4 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.422 -3.191 17519
1893 1 4 . 1 1 41 41 GLU H H 570 10.398 10.398 8.569 1.829 17519
1894 1 4 . 1 1 42 42 ILE N N 571 119.363 119.363 120.811 -1.448 17519
1895 1 4 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.075 0.304 17519
1896 1 4 . 1 1 42 42 ILE C C 571 174.913 174.913 176.498 -1.585 17519
1897 1 4 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.890 -4.070 17519
1898 1 4 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.503 1.083 17519
1899 1 4 . 1 1 42 42 ILE H H 571 6.526 6.526 7.845 -1.319 17519
1900 1 4 . 1 1 43 43 SER N N 572 121.258 121.258 116.143 5.115 17519
1901 1 4 . 1 1 43 43 SER HA H 572 4.352 4.352 4.487 -0.135 17519
1902 1 4 . 1 1 43 43 SER C C 572 175.617 175.617 174.236 1.381 17519
1903 1 4 . 1 1 43 43 SER CA C 572 60.125 60.125 58.558 1.567 17519
1904 1 4 . 1 1 43 43 SER CB C 572 63.063 63.063 63.404 -0.341 17519
1905 1 4 . 1 1 43 43 SER H H 572 8.618 8.618 8.092 0.526 17519
1906 1 4 . 1 1 44 44 GLY N N 573 111.836 111.836 112.728 -0.892 17519
1907 1 4 . 1 1 44 44 GLY C C 573 173.828 173.828 173.256 0.572 17519
1908 1 4 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.064 -0.209 17519
1909 1 4 . 1 1 44 44 GLY H H 573 8.691 8.691 8.852 -0.161 17519
1910 1 4 . 1 1 45 45 TYR N N 574 116.297 116.297 120.478 -4.181 17519
1911 1 4 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.615 1.146 17519
1912 1 4 . 1 1 45 45 TYR C C 574 175.520 175.520 174.115 1.405 17519
1913 1 4 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.514 -0.994 17519
1914 1 4 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.888 1.029 17519
1915 1 4 . 1 1 45 45 TYR H H 574 7.854 7.854 7.537 0.317 17519
1916 1 4 . 1 1 46 46 ALA N N 575 126.117 126.117 122.541 3.576 17519
1917 1 4 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.641 0.766 17519
1918 1 4 . 1 1 46 46 ALA C C 575 176.096 176.096 174.983 1.113 17519
1919 1 4 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.627 -0.255 17519
1920 1 4 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.791 2.575 17519
1921 1 4 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.460 0.250 17519
1922 1 4 . 1 1 47 47 LYS C C 576 173.794 173.794 174.541 -0.747 17519
1923 1 4 . 1 1 47 47 LYS CA C 576 55.390 55.390 54.837 0.552 17519
1924 1 4 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.333 0.608 17519
1925 1 4 . 1 1 48 48 ILE N N 577 120.000 120.000 116.575 3.425 17519
1926 1 4 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.626 -0.181 17519
1927 1 4 . 1 1 48 48 ILE C C 577 171.242 171.242 173.234 -1.992 17519
1928 1 4 . 1 1 48 48 ILE CA C 577 60.380 60.380 60.710 -0.330 17519
1929 1 4 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.212 0.104 17519
1930 1 4 . 1 1 48 48 ILE H H 577 8.041 8.041 8.720 -0.679 17519
1931 1 4 . 1 1 49 49 THR N N 578 122.357 122.357 119.788 2.569 17519
1932 1 4 . 1 1 49 49 THR HA H 578 5.344 5.344 5.413 -0.069 17519
1933 1 4 . 1 1 49 49 THR C C 578 173.601 173.601 174.041 -0.440 17519
1934 1 4 . 1 1 49 49 THR CA C 578 61.849 61.849 61.127 0.722 17519
1935 1 4 . 1 1 49 49 THR CB C 578 70.593 70.593 70.495 0.098 17519
1936 1 4 . 1 1 49 49 THR H H 578 8.043 8.043 8.187 -0.144 17519
1937 1 4 . 1 1 50 50 VAL N N 579 126.489 126.489 125.704 0.785 17519
1938 1 4 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.157 -0.017 17519
1939 1 4 . 1 1 50 50 VAL C C 579 174.015 174.015 174.304 -0.289 17519
1940 1 4 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.348 -0.096 17519
1941 1 4 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.266 -0.113 17519
1942 1 4 . 1 1 50 50 VAL H H 579 9.349 9.349 8.507 0.842 17519
1943 1 4 . 1 1 51 51 ASP N N 580 126.891 126.891 126.195 0.696 17519
1944 1 4 . 1 1 51 51 ASP HA H 580 4.867 4.867 4.919 -0.052 17519
1945 1 4 . 1 1 51 51 ASP C C 580 176.752 176.752 176.122 0.630 17519
1946 1 4 . 1 1 51 51 ASP CA C 580 53.526 53.526 54.050 -0.524 17519
1947 1 4 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.772 0.044 17519
1948 1 4 . 1 1 51 51 ASP H H 580 8.616 8.616 8.503 0.113 17519
1949 1 4 . 1 1 52 52 ILE N N 581 118.893 118.893 118.332 0.561 17519
1950 1 4 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.669 -0.081 17519
1951 1 4 . 1 1 52 52 ILE C C 581 176.717 176.717 176.254 0.463 17519
1952 1 4 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.439 -0.338 17519
1953 1 4 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.208 -0.153 17519
1954 1 4 . 1 1 52 52 ILE H H 581 8.627 8.627 7.896 0.731 17519
1955 1 4 . 1 1 53 53 GLY N N 582 114.728 114.728 112.856 1.872 17519
1956 1 4 . 1 1 53 53 GLY C C 582 174.442 174.442 174.948 -0.506 17519
1957 1 4 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.485 0.120 17519
1958 1 4 . 1 1 53 53 GLY H H 582 9.075 9.075 8.780 0.295 17519
1959 1 4 . 1 1 54 54 SER N N 583 120.404 120.404 116.287 4.117 17519
1960 1 4 . 1 1 54 54 SER HA H 583 4.549 4.549 4.487 0.062 17519
1961 1 4 . 1 1 54 54 SER C C 583 175.149 175.149 172.587 2.562 17519
1962 1 4 . 1 1 54 54 SER CA C 583 58.133 58.133 57.536 0.597 17519
1963 1 4 . 1 1 54 54 SER CB C 583 63.647 63.647 63.346 0.301 17519
1964 1 4 . 1 1 54 54 SER H H 583 8.812 8.812 7.685 1.127 17519
1965 1 4 . 1 1 55 55 ALA N N 584 125.527 125.527 121.678 3.849 17519
1966 1 4 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.741 -0.324 17519
1967 1 4 . 1 1 55 55 ALA C C 584 175.867 175.867 176.228 -0.361 17519
1968 1 4 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.234 1.133 17519
1969 1 4 . 1 1 55 55 ALA CB C 584 20.064 20.064 21.269 -1.205 17519
1970 1 4 . 1 1 55 55 ALA H H 584 7.820 7.820 7.556 0.264 17519
1971 1 4 . 1 1 56 56 SER N N 585 109.786 109.786 114.199 -4.413 17519
1972 1 4 . 1 1 56 56 SER HA H 585 4.564 4.564 4.550 0.014 17519
1973 1 4 . 1 1 56 56 SER C C 585 173.978 173.978 174.322 -0.344 17519
1974 1 4 . 1 1 56 56 SER CA C 585 58.220 58.220 58.731 -0.511 17519
1975 1 4 . 1 1 56 56 SER CB C 585 64.962 64.962 63.984 0.978 17519
1976 1 4 . 1 1 56 56 SER H H 585 8.785 8.785 8.501 0.284 17519
1977 1 4 . 1 1 57 57 GLN N N 586 116.690 116.690 119.310 -2.620 17519
1978 1 4 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.770 0.378 17519
1979 1 4 . 1 1 57 57 GLN C C 586 172.923 172.923 173.116 -0.193 17519
1980 1 4 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.672 -1.676 17519
1981 1 4 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.630 1.910 17519
1982 1 4 . 1 1 57 57 GLN H H 586 7.144 7.144 7.550 -0.406 17519
1983 1 4 . 1 1 58 58 LEU N N 587 123.011 123.011 124.464 -1.453 17519
1984 1 4 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.085 -0.417 17519
1985 1 4 . 1 1 58 58 LEU C C 587 173.426 173.426 174.557 -1.131 17519
1986 1 4 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.855 -0.477 17519
1987 1 4 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.331 1.327 17519
1988 1 4 . 1 1 58 58 LEU H H 587 9.226 9.226 9.277 -0.051 17519
1989 1 4 . 1 1 59 59 GLU N N 588 129.185 129.185 125.421 3.764 17519
1990 1 4 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.493 -0.184 17519
1991 1 4 . 1 1 59 59 GLU C C 588 175.409 175.409 175.130 0.279 17519
1992 1 4 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.043 0.607 17519
1993 1 4 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.404 0.644 17519
1994 1 4 . 1 1 59 59 GLU H H 588 8.830 8.830 8.718 0.112 17519
1995 1 4 . 1 1 60 60 ALA N N 589 126.011 126.011 125.054 0.957 17519
1996 1 4 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.161 0.742 17519
1997 1 4 . 1 1 60 60 ALA C C 589 174.861 174.861 175.253 -0.392 17519
1998 1 4 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.386 -0.239 17519
1999 1 4 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.921 1.936 17519
2000 1 4 . 1 1 60 60 ALA H H 589 9.748 9.748 8.437 1.311 17519
2001 1 4 . 1 1 61 61 ALA N N 590 120.783 120.783 124.308 -3.525 17519
2002 1 4 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.161 -0.344 17519
2003 1 4 . 1 1 61 61 ALA C C 590 174.731 174.731 175.296 -0.565 17519
2004 1 4 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.206 0.922 17519
2005 1 4 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.116 0.984 17519
2006 1 4 . 1 1 61 61 ALA H H 590 9.392 9.392 8.616 0.776 17519
2007 1 4 . 1 1 62 62 PHE N N 591 116.572 116.572 118.404 -1.832 17519
2008 1 4 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.940 1.067 17519
2009 1 4 . 1 1 62 62 PHE C C 591 175.059 175.059 174.343 0.716 17519
2010 1 4 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.633 -0.177 17519
2011 1 4 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.001 1.323 17519
2012 1 4 . 1 1 62 62 PHE H H 591 8.394 8.394 8.819 -0.425 17519
2013 1 4 . 1 1 63 63 ASN N N 592 116.166 116.166 120.591 -4.425 17519
2014 1 4 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.240 -0.076 17519
2015 1 4 . 1 1 63 63 ASN C C 592 172.073 172.073 174.322 -2.249 17519
2016 1 4 . 1 1 63 63 ASN CA C 592 53.727 53.727 52.149 1.578 17519
2017 1 4 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.903 0.329 17519
2018 1 4 . 1 1 63 63 ASN H H 592 9.117 9.117 8.929 0.188 17519
2019 1 4 . 1 1 64 64 ASP N N 593 118.039 118.039 122.658 -4.619 17519
2020 1 4 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.311 -0.092 17519
2021 1 4 . 1 1 64 64 ASP C C 593 177.248 177.248 176.951 0.297 17519
2022 1 4 . 1 1 64 64 ASP CA C 593 52.251 52.251 56.074 -3.822 17519
2023 1 4 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.903 -0.181 17519
2024 1 4 . 1 1 64 64 ASP H H 593 7.558 7.558 8.276 -0.718 17519
2025 1 4 . 1 1 65 65 GLY N N 594 110.622 110.622 106.764 3.858 17519
2026 1 4 . 1 1 65 65 GLY C C 594 173.126 173.126 173.689 -0.563 17519
2027 1 4 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.477 0.052 17519
2028 1 4 . 1 1 65 65 GLY H H 594 8.742 8.742 8.449 0.293 17519
2029 1 4 . 1 1 66 66 ASN N N 595 120.863 120.863 118.558 2.305 17519
2030 1 4 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.966 -0.209 17519
2031 1 4 . 1 1 66 66 ASN C C 595 174.434 174.434 174.364 0.070 17519
2032 1 4 . 1 1 66 66 ASN CA C 595 52.167 52.167 51.900 0.267 17519
2033 1 4 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.496 0.892 17519
2034 1 4 . 1 1 66 66 ASN H H 595 8.424 8.424 8.030 0.394 17519
2035 1 4 . 1 1 67 67 ASN N N 596 113.308 113.308 118.266 -4.958 17519
2036 1 4 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.631 -0.401 17519
2037 1 4 . 1 1 67 67 ASN C C 596 173.796 173.796 173.607 0.189 17519
2038 1 4 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.030 0.395 17519
2039 1 4 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.186 0.967 17519
2040 1 4 . 1 1 67 67 ASN H H 596 8.744 8.744 8.858 -0.114 17519
2041 1 4 . 1 1 68 68 ASN N N 597 118.418 118.418 117.647 0.771 17519
2042 1 4 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.869 0.249 17519
2043 1 4 . 1 1 68 68 ASN C C 597 173.474 173.474 173.790 -0.316 17519
2044 1 4 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.848 0.290 17519
2045 1 4 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.997 -0.375 17519
2046 1 4 . 1 1 68 68 ASN H H 597 8.032 8.032 8.331 -0.299 17519
2047 1 4 . 1 1 69 69 TRP N N 598 120.990 120.990 121.161 -0.171 17519
2048 1 4 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.101 -0.245 17519
2049 1 4 . 1 1 69 69 TRP C C 598 176.220 176.220 176.581 -0.361 17519
2050 1 4 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.645 0.588 17519
2051 1 4 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.151 2.068 17519
2052 1 4 . 1 1 69 69 TRP H H 598 8.842 8.842 8.435 0.407 17519
2053 1 4 . 1 1 70 70 ASP N N 599 122.210 122.210 122.493 -0.283 17519
2054 1 4 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.037 0.210 17519
2055 1 4 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.143 0.103 17519
2056 1 4 . 1 1 70 70 ASP CB C 599 41.898 41.898 42.005 -0.107 17519
2057 1 4 . 1 1 70 70 ASP H H 599 9.831 9.831 9.091 0.740 17519
2058 1 4 . 1 1 71 71 SER N N 600 117.252 117.252 116.199 1.053 17519
2059 1 4 . 1 1 71 71 SER HA H 600 5.141 5.141 4.483 0.658 17519
2060 1 4 . 1 1 71 71 SER CA C 600 55.907 55.907 61.068 -5.161 17519
2061 1 4 . 1 1 71 71 SER H H 600 9.328 9.328 8.414 0.914 17519
2062 1 4 . 1 1 72 72 ASN N N 601 123.197 123.197 117.175 6.022 17519
2063 1 4 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.794 -0.365 17519
2064 1 4 . 1 1 72 72 ASN C C 601 176.895 176.895 174.805 2.090 17519
2065 1 4 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.671 -0.578 17519
2066 1 4 . 1 1 72 72 ASN CB C 601 39.150 39.150 39.477 -0.327 17519
2067 1 4 . 1 1 72 72 ASN H H 601 8.715 8.715 8.311 0.404 17519
2068 1 4 . 1 1 73 73 ASN N N 602 116.099 116.099 117.785 -1.686 17519
2069 1 4 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.402 0.042 17519
2070 1 4 . 1 1 73 73 ASN C C 602 176.304 176.304 175.042 1.262 17519
2071 1 4 . 1 1 73 73 ASN CA C 602 54.465 54.465 55.750 -1.285 17519
2072 1 4 . 1 1 73 73 ASN CB C 602 37.277 37.277 37.964 -0.687 17519
2073 1 4 . 1 1 73 73 ASN H H 602 9.184 9.184 8.553 0.631 17519
2074 1 4 . 1 1 74 74 THR N N 603 110.445 110.445 112.204 -1.759 17519
2075 1 4 . 1 1 74 74 THR HA H 603 3.835 3.835 4.298 -0.463 17519
2076 1 4 . 1 1 74 74 THR C C 603 173.186 173.186 172.752 0.434 17519
2077 1 4 . 1 1 74 74 THR CA C 603 65.006 65.006 62.741 2.265 17519
2078 1 4 . 1 1 74 74 THR CB C 603 69.653 69.653 68.816 0.837 17519
2079 1 4 . 1 1 74 74 THR H H 603 7.829 7.829 8.095 -0.266 17519
2080 1 4 . 1 1 75 75 LYS N N 604 121.909 121.909 120.179 1.730 17519
2081 1 4 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.377 -0.240 17519
2082 1 4 . 1 1 75 75 LYS C C 604 177.262 177.262 175.222 2.040 17519
2083 1 4 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.712 1.055 17519
2084 1 4 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.795 -1.419 17519
2085 1 4 . 1 1 75 75 LYS H H 604 7.714 7.714 8.368 -0.654 17519
2086 1 4 . 1 1 76 76 ASN N N 605 108.823 108.823 114.816 -5.993 17519
2087 1 4 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.180 -0.240 17519
2088 1 4 . 1 1 76 76 ASN C C 605 171.742 171.742 174.120 -2.378 17519
2089 1 4 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.654 -0.495 17519
2090 1 4 . 1 1 76 76 ASN CB C 605 39.027 39.027 37.506 1.521 17519
2091 1 4 . 1 1 76 76 ASN H H 605 8.274 8.274 7.785 0.489 17519
2092 1 4 . 1 1 77 77 TYR N N 606 117.628 117.628 117.384 0.244 17519
2093 1 4 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.621 0.206 17519
2094 1 4 . 1 1 77 77 TYR C C 606 174.468 174.468 174.834 -0.366 17519
2095 1 4 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.290 0.279 17519
2096 1 4 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.265 0.290 17519
2097 1 4 . 1 1 77 77 TYR H H 606 9.055 9.055 8.090 0.965 17519
2098 1 4 . 1 1 78 78 LEU N N 607 121.811 121.811 122.257 -0.446 17519
2099 1 4 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.405 0.898 17519
2100 1 4 . 1 1 78 78 LEU C C 607 175.673 175.673 175.696 -0.023 17519
2101 1 4 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.405 -1.161 17519
2102 1 4 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.904 1.067 17519
2103 1 4 . 1 1 78 78 LEU H H 607 7.983 7.983 8.379 -0.396 17519
2104 1 4 . 1 1 79 79 PHE N N 608 121.390 121.390 122.733 -1.343 17519
2105 1 4 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.848 -0.021 17519
2106 1 4 . 1 1 79 79 PHE C C 608 175.786 175.786 174.807 0.979 17519
2107 1 4 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.679 0.172 17519
2108 1 4 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.316 0.248 17519
2109 1 4 . 1 1 79 79 PHE H H 608 9.240 9.240 9.149 0.091 17519
2110 1 4 . 1 1 80 80 SER N N 609 117.589 117.589 116.287 1.302 17519
2111 1 4 . 1 1 80 80 SER HA H 609 4.979 4.979 4.780 0.199 17519
2112 1 4 . 1 1 80 80 SER C C 609 173.269 173.269 174.174 -0.905 17519
2113 1 4 . 1 1 80 80 SER CA C 609 57.811 57.811 56.120 1.691 17519
2114 1 4 . 1 1 80 80 SER CB C 609 64.856 64.856 64.750 0.106 17519
2115 1 4 . 1 1 80 80 SER H H 609 8.948 8.948 8.758 0.190 17519
2116 1 4 . 1 1 81 81 THR N N 610 112.845 112.845 114.416 -1.571 17519
2117 1 4 . 1 1 81 81 THR HA H 610 3.871 3.871 4.321 -0.450 17519
2118 1 4 . 1 1 81 81 THR C C 610 174.439 174.439 175.424 -0.985 17519
2119 1 4 . 1 1 81 81 THR CA C 610 64.353 64.353 63.508 0.845 17519
2120 1 4 . 1 1 81 81 THR CB C 610 69.421 69.421 69.064 0.357 17519
2121 1 4 . 1 1 82 82 GLY N N 611 112.157 112.157 110.757 1.400 17519
2122 1 4 . 1 1 82 82 GLY C C 611 174.430 174.430 172.795 1.635 17519
2123 1 4 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.510 -0.644 17519
2124 1 4 . 1 1 82 82 GLY H H 611 8.468 8.468 7.988 0.480 17519
2125 1 4 . 1 1 83 83 THR N N 612 120.992 120.992 117.921 3.071 17519
2126 1 4 . 1 1 83 83 THR HA H 612 5.483 5.483 5.063 0.420 17519
2127 1 4 . 1 1 83 83 THR C C 612 174.819 174.819 173.626 1.193 17519
2128 1 4 . 1 1 83 83 THR CA C 612 62.563 62.563 61.870 0.693 17519
2129 1 4 . 1 1 83 83 THR CB C 612 70.093 70.093 70.123 -0.030 17519
2130 1 4 . 1 1 83 83 THR H H 612 8.736 8.736 8.202 0.534 17519
2131 1 4 . 1 1 84 84 SER N N 613 122.602 122.602 121.620 0.982 17519
2132 1 4 . 1 1 84 84 SER HA H 613 5.489 5.489 5.123 0.366 17519
2133 1 4 . 1 1 84 84 SER C C 613 172.064 172.064 173.056 -0.992 17519
2134 1 4 . 1 1 84 84 SER CA C 613 58.813 58.813 56.950 1.863 17519
2135 1 4 . 1 1 84 84 SER CB C 613 67.694 67.694 66.319 1.375 17519
2136 1 4 . 1 1 84 84 SER H H 613 9.051 9.051 9.258 -0.207 17519
2137 1 4 . 1 1 85 85 THR N N 614 117.759 117.759 118.005 -0.246 17519
2138 1 4 . 1 1 85 85 THR HA H 614 5.256 5.256 5.224 0.032 17519
2139 1 4 . 1 1 85 85 THR C C 614 173.632 173.632 173.036 0.596 17519
2140 1 4 . 1 1 85 85 THR CA C 614 62.724 62.724 62.251 0.473 17519
2141 1 4 . 1 1 85 85 THR CB C 614 70.908 70.908 71.116 -0.208 17519
2142 1 4 . 1 1 85 85 THR H H 614 9.523 9.523 8.741 0.782 17519
2143 1 4 . 1 1 86 86 TYR N N 615 131.519 131.519 130.280 1.239 17519
2144 1 4 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.810 0.403 17519
2145 1 4 . 1 1 86 86 TYR C C 615 172.999 172.999 173.791 -0.792 17519
2146 1 4 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.488 0.675 17519
2147 1 4 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.501 1.068 17519
2148 1 4 . 1 1 86 86 TYR H H 615 10.029 10.029 9.549 0.480 17519
2149 1 4 . 1 1 87 87 THR N N 616 124.674 124.674 124.688 -0.014 17519
2150 1 4 . 1 1 87 87 THR HA H 616 4.370 4.370 4.664 -0.294 17519
2151 1 4 . 1 1 87 87 THR CA C 616 58.725 58.725 58.970 -0.245 17519
2152 1 4 . 1 1 87 87 THR CB C 616 70.070 70.070 69.120 0.950 17519
2153 1 4 . 1 1 87 87 THR H H 616 8.027 8.027 8.894 -0.867 17519
2154 1 4 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.175 -0.083 17519
2155 1 4 . 1 1 88 88 PRO C C 617 177.011 177.011 176.624 0.387 17519
2156 1 4 . 1 1 88 88 PRO CA C 617 62.887 62.887 61.749 1.138 17519
2157 1 4 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.492 -0.168 17519
2158 1 4 . 1 1 89 89 GLY N N 618 108.881 108.881 107.564 1.317 17519
2159 1 4 . 1 1 89 89 GLY C C 618 173.673 173.673 174.086 -0.413 17519
2160 1 4 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.372 -0.376 17519
2161 1 4 . 1 1 89 89 GLY H H 618 8.261 8.261 8.126 0.135 17519
2162 1 4 . 1 1 90 90 SER N N 619 114.743 114.743 113.509 1.234 17519
2163 1 4 . 1 1 90 90 SER HA H 619 4.537 4.537 4.551 -0.014 17519
2164 1 4 . 1 1 90 90 SER C C 619 175.706 175.706 174.134 1.572 17519
2165 1 4 . 1 1 90 90 SER CA C 619 57.617 57.617 58.109 -0.492 17519
2166 1 4 . 1 1 90 90 SER CB C 619 64.294 64.294 63.727 0.567 17519
2167 1 4 . 1 1 90 90 SER H H 619 8.380 8.380 8.193 0.187 17519
2168 1 4 . 1 1 91 91 ASN N N 620 121.360 121.360 119.704 1.656 17519
2169 1 4 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.767 -0.355 17519
2170 1 4 . 1 1 91 91 ASN C C 620 175.289 175.289 174.999 0.290 17519
2171 1 4 . 1 1 91 91 ASN CA C 620 54.353 54.353 54.100 0.253 17519
2172 1 4 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.094 -0.361 17519
2173 1 4 . 1 1 91 91 ASN H H 620 9.296 9.296 7.802 1.494 17519
2174 1 4 . 1 1 92 92 GLY N N 621 105.883 105.883 108.033 -2.150 17519
2175 1 4 . 1 1 92 92 GLY C C 621 174.510 174.510 173.813 0.697 17519
2176 1 4 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.157 -0.928 17519
2177 1 4 . 1 1 92 92 GLY H H 621 8.528 8.528 8.468 0.060 17519
2178 1 4 . 1 1 93 93 ALA N N 622 123.803 123.803 122.211 1.592 17519
2179 1 4 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.512 -0.096 17519
2180 1 4 . 1 1 93 93 ALA C C 622 176.820 176.820 176.375 0.445 17519
2181 1 4 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.765 1.086 17519
2182 1 4 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.319 -0.515 17519
2183 1 4 . 1 1 93 93 ALA H H 622 7.486 7.486 7.860 -0.374 17519
2184 1 4 . 1 1 94 94 ALA N N 623 123.284 123.284 126.991 -3.707 17519
2185 1 4 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.219 0.371 17519
2186 1 4 . 1 1 94 94 ALA C C 623 178.770 178.770 177.961 0.809 17519
2187 1 4 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.941 -0.314 17519
2188 1 4 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.202 0.885 17519
2189 1 4 . 1 1 94 94 ALA H H 623 8.397 8.397 8.567 -0.170 17519
2190 1 4 . 1 1 95 95 GLY N N 624 108.970 108.970 112.759 -3.789 17519
2191 1 4 . 1 1 95 95 GLY C C 624 173.156 173.156 173.602 -0.446 17519
2192 1 4 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.885 -0.028 17519
2193 1 4 . 1 1 95 95 GLY H H 624 8.438 8.438 8.560 -0.122 17519
2194 1 4 . 1 1 96 96 THR N N 625 108.929 108.929 110.625 -1.696 17519
2195 1 4 . 1 1 96 96 THR HA H 625 4.603 4.603 4.537 0.066 17519
2196 1 4 . 1 1 96 96 THR C C 625 172.765 172.765 172.893 -0.128 17519
2197 1 4 . 1 1 96 96 THR CA C 625 60.350 60.350 60.656 -0.306 17519
2198 1 4 . 1 1 96 96 THR CB C 625 72.295 72.295 72.153 0.142 17519
2199 1 4 . 1 1 96 96 THR H H 625 7.833 7.833 8.156 -0.323 17519
2200 1 4 . 1 1 97 97 ILE N N 626 123.623 123.623 119.221 4.402 17519
2201 1 4 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.319 -0.502 17519
2202 1 4 . 1 1 97 97 ILE C C 626 175.596 175.596 175.436 0.160 17519
2203 1 4 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.571 1.478 17519
2204 1 4 . 1 1 97 97 ILE CB C 626 41.178 41.178 40.648 0.530 17519
2205 1 4 . 1 1 97 97 ILE H H 626 8.594 8.594 8.177 0.417 17519
2206 1 4 . 1 1 98 98 ARG N N 627 127.431 127.431 126.797 0.634 17519
2207 1 4 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.760 0.175 17519
2208 1 4 . 1 1 98 98 ARG C C 627 175.183 175.183 175.481 -0.298 17519
2209 1 4 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.782 -1.014 17519
2210 1 4 . 1 1 98 98 ARG CB C 627 33.776 33.776 33.021 0.755 17519
2211 1 4 . 1 1 98 98 ARG H H 627 8.979 8.979 9.125 -0.146 17519
2212 1 4 . 1 1 99 99 THR N N 628 118.452 118.452 119.571 -1.119 17519
2213 1 4 . 1 1 99 99 THR HA H 628 4.410 4.410 4.557 -0.147 17519
2214 1 4 . 1 1 99 99 THR C C 628 174.845 174.845 175.243 -0.398 17519
2215 1 4 . 1 1 99 99 THR CA C 628 63.962 63.962 62.317 1.645 17519
2216 1 4 . 1 1 99 99 THR CB C 628 69.488 69.488 69.245 0.243 17519
2217 1 4 . 1 1 99 99 THR H H 628 8.697 8.697 8.563 0.134 17519
2218 1 4 . 1 1 100 100 GLY N N 629 114.137 114.137 109.436 4.701 17519
2219 1 4 . 1 1 100 100 GLY C C 629 171.903 171.903 172.693 -0.790 17519
2220 1 4 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.404 -0.656 17519
2221 1 4 . 1 1 100 100 GLY H H 629 8.626 8.626 8.842 -0.216 17519
2222 1 4 . 1 1 101 101 ALA N N 630 120.627 120.627 124.367 -3.740 17519
2223 1 4 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.094 -0.402 17519
2224 1 4 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.764 -1.336 17519
2225 1 4 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.292 -0.221 17519
2226 1 4 . 1 1 101 101 ALA H H 630 7.980 7.980 8.162 -0.182 17519
2227 1 4 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.339 -0.214 17519
2228 1 4 . 1 1 102 102 PRO C C 631 175.721 175.721 175.899 -0.178 17519
2229 1 4 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.374 0.566 17519
2230 1 4 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.949 -1.204 17519
2231 1 4 . 1 1 103 103 SER N N 632 113.689 113.689 117.009 -3.320 17519
2232 1 4 . 1 1 103 103 SER HA H 632 4.295 4.295 4.358 -0.063 17519
2233 1 4 . 1 1 103 103 SER C C 632 173.816 173.816 174.371 -0.555 17519
2234 1 4 . 1 1 103 103 SER CA C 632 57.689 57.689 57.999 -0.310 17519
2235 1 4 . 1 1 103 103 SER CB C 632 64.133 64.133 63.757 0.377 17519
2236 1 4 . 1 1 103 103 SER H H 632 7.969 7.969 8.132 -0.163 17519
2237 1 5 . 1 1 2 2 GLY C C 531 174.309 174.309 173.613 0.696 17519
2238 1 5 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.037 0.139 17519
2239 1 5 . 1 1 3 3 THR N N 532 113.802 113.802 111.335 2.467 17519
2240 1 5 . 1 1 3 3 THR HA H 532 4.429 4.429 3.972 0.457 17519
2241 1 5 . 1 1 3 3 THR C C 532 174.430 174.430 173.777 0.653 17519
2242 1 5 . 1 1 3 3 THR CA C 532 61.577 61.577 63.084 -1.508 17519
2243 1 5 . 1 1 3 3 THR CB C 532 69.849 69.849 68.775 1.074 17519
2244 1 5 . 1 1 3 3 THR H H 532 8.140 8.140 7.904 0.236 17519
2245 1 5 . 1 1 4 4 THR N N 533 115.407 115.407 113.079 2.328 17519
2246 1 5 . 1 1 4 4 THR HA H 533 4.350 4.350 4.284 0.066 17519
2247 1 5 . 1 1 4 4 THR C C 533 173.831 173.831 172.793 1.038 17519
2248 1 5 . 1 1 4 4 THR CA C 533 60.266 60.266 62.387 -2.121 17519
2249 1 5 . 1 1 4 4 THR CB C 533 69.788 69.788 69.740 0.048 17519
2250 1 5 . 1 1 4 4 THR H H 533 8.019 8.019 8.584 -0.565 17519
2251 1 5 . 1 1 5 5 ASN N N 534 121.822 121.822 120.153 1.669 17519
2252 1 5 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.736 0.100 17519
2253 1 5 . 1 1 5 5 ASN C C 534 174.057 174.057 174.559 -0.502 17519
2254 1 5 . 1 1 5 5 ASN CA C 534 52.686 52.686 53.483 -0.797 17519
2255 1 5 . 1 1 5 5 ASN CB C 534 39.156 39.156 39.625 -0.469 17519
2256 1 5 . 1 1 5 5 ASN H H 534 8.863 8.863 8.343 0.520 17519
2257 1 5 . 1 1 6 6 LYS N N 535 119.369 119.369 117.270 2.099 17519
2258 1 5 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.962 0.223 17519
2259 1 5 . 1 1 6 6 LYS C C 535 175.924 175.924 175.179 0.745 17519
2260 1 5 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.226 -0.695 17519
2261 1 5 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.749 -0.733 17519
2262 1 5 . 1 1 6 6 LYS H H 535 8.347 8.347 8.248 0.099 17519
2263 1 5 . 1 1 7 7 VAL N N 536 123.112 123.112 120.460 2.652 17519
2264 1 5 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.560 0.013 17519
2265 1 5 . 1 1 7 7 VAL C C 536 174.602 174.602 175.158 -0.556 17519
2266 1 5 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.883 0.262 17519
2267 1 5 . 1 1 7 7 VAL CB C 536 34.773 34.773 33.291 1.482 17519
2268 1 5 . 1 1 7 7 VAL H H 536 8.828 8.828 8.972 -0.144 17519
2269 1 5 . 1 1 8 8 THR N N 537 125.255 125.255 123.900 1.355 17519
2270 1 5 . 1 1 8 8 THR HA H 537 5.396 5.396 5.094 0.302 17519
2271 1 5 . 1 1 8 8 THR C C 537 173.129 173.129 173.966 -0.837 17519
2272 1 5 . 1 1 8 8 THR CA C 537 61.611 61.611 62.305 -0.694 17519
2273 1 5 . 1 1 8 8 THR CB C 537 70.113 70.113 69.811 0.302 17519
2274 1 5 . 1 1 8 8 THR H H 537 8.914 8.914 9.207 -0.293 17519
2275 1 5 . 1 1 9 9 VAL N N 538 126.696 126.696 126.793 -0.097 17519
2276 1 5 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.797 -0.263 17519
2277 1 5 . 1 1 9 9 VAL C C 538 175.565 175.565 174.274 1.291 17519
2278 1 5 . 1 1 9 9 VAL CA C 538 60.879 60.879 61.185 -0.306 17519
2279 1 5 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.368 0.811 17519
2280 1 5 . 1 1 9 9 VAL H H 538 8.585 8.585 8.865 -0.280 17519
2281 1 5 . 1 1 10 10 TYR N N 539 124.488 124.488 127.610 -3.122 17519
2282 1 5 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.351 -0.093 17519
2283 1 5 . 1 1 10 10 TYR C C 539 174.309 174.309 174.656 -0.347 17519
2284 1 5 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.867 0.399 17519
2285 1 5 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.594 -1.185 17519
2286 1 5 . 1 1 10 10 TYR H H 539 9.111 9.111 8.928 0.183 17519
2287 1 5 . 1 1 11 11 TYR N N 540 125.848 125.848 125.869 -0.021 17519
2288 1 5 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.278 -0.252 17519
2289 1 5 . 1 1 11 11 TYR C C 540 173.346 173.346 173.512 -0.166 17519
2290 1 5 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.204 2.398 17519
2291 1 5 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.394 0.564 17519
2292 1 5 . 1 1 11 11 TYR H H 540 9.580 9.580 9.017 0.563 17519
2293 1 5 . 1 1 12 12 LYS N N 541 131.489 131.489 126.485 5.004 17519
2294 1 5 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.480 -0.028 17519
2295 1 5 . 1 1 12 12 LYS C C 541 172.904 172.904 174.653 -1.749 17519
2296 1 5 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.270 1.445 17519
2297 1 5 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.690 -0.592 17519
2298 1 5 . 1 1 12 12 LYS H H 541 8.406 8.406 8.387 0.019 17519
2299 1 5 . 1 1 13 13 LYS N N 542 125.132 125.132 126.520 -1.388 17519
2300 1 5 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.710 0.228 17519
2301 1 5 . 1 1 13 13 LYS C C 542 180.078 180.078 175.959 4.119 17519
2302 1 5 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.322 -3.886 17519
2303 1 5 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.489 -0.884 17519
2304 1 5 . 1 1 13 13 LYS H H 542 7.515 7.515 7.452 0.063 17519
2305 1 5 . 1 1 14 14 GLY N N 543 112.724 112.724 112.566 0.158 17519
2306 1 5 . 1 1 14 14 GLY C C 543 174.151 174.151 172.889 1.262 17519
2307 1 5 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.615 1.675 17519
2308 1 5 . 1 1 14 14 GLY H H 543 7.629 7.629 8.049 -0.420 17519
2309 1 5 . 1 1 15 15 PHE N N 544 121.583 121.583 119.859 1.724 17519
2310 1 5 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.707 0.015 17519
2311 1 5 . 1 1 15 15 PHE C C 544 175.876 175.876 174.857 1.019 17519
2312 1 5 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.495 -1.385 17519
2313 1 5 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.470 -2.079 17519
2314 1 5 . 1 1 15 15 PHE H H 544 8.557 8.557 8.261 0.296 17519
2315 1 5 . 1 1 16 16 ASN N N 545 117.559 117.559 118.328 -0.769 17519
2316 1 5 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.896 -0.432 17519
2317 1 5 . 1 1 16 16 ASN C C 545 176.289 176.289 174.234 2.055 17519
2318 1 5 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.323 3.097 17519
2319 1 5 . 1 1 16 16 ASN CB C 545 39.263 39.263 40.056 -0.793 17519
2320 1 5 . 1 1 16 16 ASN H H 545 8.561 8.561 8.850 -0.289 17519
2321 1 5 . 1 1 17 17 SER N N 546 112.901 112.901 112.968 -0.067 17519
2322 1 5 . 1 1 17 17 SER HA H 546 4.862 4.862 4.340 0.522 17519
2323 1 5 . 1 1 17 17 SER CA C 546 53.586 53.586 58.010 -4.424 17519
2324 1 5 . 1 1 17 17 SER CB C 546 63.708 63.708 62.387 1.321 17519
2325 1 5 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.502 0.091 17519
2326 1 5 . 1 1 18 18 PRO C C 547 175.806 175.806 175.930 -0.124 17519
2327 1 5 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.357 0.164 17519
2328 1 5 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.511 0.152 17519
2329 1 5 . 1 1 19 19 TYR N N 548 122.230 122.230 119.639 2.591 17519
2330 1 5 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.527 0.350 17519
2331 1 5 . 1 1 19 19 TYR C C 548 174.660 174.660 175.314 -0.654 17519
2332 1 5 . 1 1 19 19 TYR CA C 548 56.660 56.660 58.684 -2.023 17519
2333 1 5 . 1 1 19 19 TYR CB C 548 40.462 40.462 41.164 -0.702 17519
2334 1 5 . 1 1 19 19 TYR H H 548 9.141 9.141 8.083 1.058 17519
2335 1 5 . 1 1 20 20 ILE N N 549 118.425 118.425 118.595 -0.170 17519
2336 1 5 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.723 0.349 17519
2337 1 5 . 1 1 20 20 ILE C C 549 171.422 171.422 173.971 -2.549 17519
2338 1 5 . 1 1 20 20 ILE CA C 549 58.429 58.429 59.842 -1.413 17519
2339 1 5 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.864 -0.108 17519
2340 1 5 . 1 1 21 21 HIS N N 550 133.248 133.248 126.079 7.169 17519
2341 1 5 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.603 0.760 17519
2342 1 5 . 1 1 21 21 HIS C C 550 174.988 174.988 173.195 1.793 17519
2343 1 5 . 1 1 21 21 HIS CA C 550 53.915 53.915 53.779 0.136 17519
2344 1 5 . 1 1 21 21 HIS CB C 550 34.774 34.774 31.941 2.833 17519
2345 1 5 . 1 1 21 21 HIS H H 550 8.956 8.956 8.365 0.591 17519
2346 1 5 . 1 1 22 22 TYR N N 551 121.831 121.831 122.572 -0.741 17519
2347 1 5 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.139 1.044 17519
2348 1 5 . 1 1 22 22 TYR C C 551 173.934 173.934 173.301 0.633 17519
2349 1 5 . 1 1 22 22 TYR CA C 551 56.668 56.668 55.251 1.417 17519
2350 1 5 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.535 1.183 17519
2351 1 5 . 1 1 22 22 TYR H H 551 8.204 8.204 8.030 0.174 17519
2352 1 5 . 1 1 23 23 ARG N N 552 115.619 115.619 119.952 -4.333 17519
2353 1 5 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.837 -0.075 17519
2354 1 5 . 1 1 23 23 ARG CA C 552 52.480 52.480 51.834 0.646 17519
2355 1 5 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.051 -1.013 17519
2356 1 5 . 1 1 23 23 ARG H H 552 8.674 8.674 8.799 -0.125 17519
2357 1 5 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.518 0.038 17519
2358 1 5 . 1 1 24 24 PRO C C 553 176.736 176.736 177.381 -0.645 17519
2359 1 5 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.140 0.212 17519
2360 1 5 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.945 -1.065 17519
2361 1 5 . 1 1 25 25 ALA N N 554 125.908 125.908 123.827 2.081 17519
2362 1 5 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.852 0.170 17519
2363 1 5 . 1 1 25 25 ALA C C 554 179.217 179.217 179.370 -0.153 17519
2364 1 5 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.786 -0.701 17519
2365 1 5 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.434 -0.202 17519
2366 1 5 . 1 1 25 25 ALA H H 554 8.293 8.293 8.207 0.086 17519
2367 1 5 . 1 1 26 26 GLY N N 555 111.766 111.766 104.510 7.256 17519
2368 1 5 . 1 1 26 26 GLY C C 555 174.796 174.796 175.409 -0.613 17519
2369 1 5 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.929 0.712 17519
2370 1 5 . 1 1 26 26 GLY H H 555 8.602 8.602 8.018 0.584 17519
2371 1 5 . 1 1 27 27 GLY N N 556 109.512 109.512 109.132 0.380 17519
2372 1 5 . 1 1 27 27 GLY C C 556 173.368 173.368 173.637 -0.269 17519
2373 1 5 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.717 -0.511 17519
2374 1 5 . 1 1 27 27 GLY H H 556 8.494 8.494 8.467 0.027 17519
2375 1 5 . 1 1 28 28 SER N N 557 117.962 117.962 115.407 2.555 17519
2376 1 5 . 1 1 28 28 SER HA H 557 4.690 4.690 4.671 0.019 17519
2377 1 5 . 1 1 28 28 SER C C 557 173.656 173.656 172.996 0.660 17519
2378 1 5 . 1 1 28 28 SER CA C 557 57.492 57.492 56.873 0.619 17519
2379 1 5 . 1 1 28 28 SER CB C 557 64.803 64.803 65.306 -0.503 17519
2380 1 5 . 1 1 28 28 SER H H 557 8.681 8.681 7.300 1.381 17519
2381 1 5 . 1 1 29 29 TRP N N 558 123.928 123.928 124.573 -0.645 17519
2382 1 5 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.872 -0.420 17519
2383 1 5 . 1 1 29 29 TRP C C 558 178.891 178.891 177.342 1.549 17519
2384 1 5 . 1 1 29 29 TRP CA C 558 58.074 58.074 55.940 2.134 17519
2385 1 5 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.828 -0.123 17519
2386 1 5 . 1 1 29 29 TRP H H 558 8.392 8.392 8.636 -0.244 17519
2387 1 5 . 1 1 30 30 THR N N 559 111.067 111.067 119.752 -8.685 17519
2388 1 5 . 1 1 30 30 THR HA H 559 4.037 4.037 4.249 -0.212 17519
2389 1 5 . 1 1 30 30 THR C C 559 174.782 174.782 174.707 0.075 17519
2390 1 5 . 1 1 30 30 THR CA C 559 61.321 61.321 64.273 -2.952 17519
2391 1 5 . 1 1 30 30 THR CB C 559 70.561 70.561 69.999 0.562 17519
2392 1 5 . 1 1 30 30 THR H H 559 7.953 7.953 8.398 -0.445 17519
2393 1 5 . 1 1 31 31 ALA N N 560 123.046 123.046 124.139 -1.093 17519
2394 1 5 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.128 0.323 17519
2395 1 5 . 1 1 31 31 ALA C C 560 178.493 178.493 176.734 1.759 17519
2396 1 5 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.434 -0.520 17519
2397 1 5 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.715 -0.716 17519
2398 1 5 . 1 1 31 31 ALA H H 560 8.437 8.437 8.377 0.060 17519
2399 1 5 . 1 1 32 32 ALA N N 561 129.644 129.644 127.995 1.649 17519
2400 1 5 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.068 -0.127 17519
2401 1 5 . 1 1 32 32 ALA CA C 561 51.756 51.756 50.445 1.311 17519
2402 1 5 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.337 -2.187 17519
2403 1 5 . 1 1 32 32 ALA H H 561 8.828 8.828 8.121 0.707 17519
2404 1 5 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.289 -0.391 17519
2405 1 5 . 1 1 33 33 PRO C C 562 173.280 173.280 176.781 -3.501 17519
2406 1 5 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.209 1.230 17519
2407 1 5 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.452 0.059 17519
2408 1 5 . 1 1 34 34 GLY N N 563 112.224 112.224 110.330 1.894 17519
2409 1 5 . 1 1 34 34 GLY C C 563 173.977 173.977 174.277 -0.300 17519
2410 1 5 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.320 -2.371 17519
2411 1 5 . 1 1 34 34 GLY H H 563 8.763 8.763 7.863 0.900 17519
2412 1 5 . 1 1 35 35 VAL N N 564 123.427 123.427 117.116 6.311 17519
2413 1 5 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.461 -0.060 17519
2414 1 5 . 1 1 35 35 VAL C C 564 174.734 174.734 174.547 0.187 17519
2415 1 5 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.213 0.675 17519
2416 1 5 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.899 -0.998 17519
2417 1 5 . 1 1 36 36 LYS N N 565 128.212 128.212 124.484 3.728 17519
2418 1 5 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.805 -0.696 17519
2419 1 5 . 1 1 36 36 LYS C C 565 176.437 176.437 175.913 0.524 17519
2420 1 5 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.271 1.916 17519
2421 1 5 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.859 0.555 17519
2422 1 5 . 1 1 36 36 LYS H H 565 8.486 8.486 8.450 0.036 17519
2423 1 5 . 1 1 37 37 MET N N 566 124.964 124.964 123.632 1.332 17519
2424 1 5 . 1 1 37 37 MET HA H 566 4.228 4.228 4.160 0.068 17519
2425 1 5 . 1 1 37 37 MET C C 566 175.652 175.652 175.970 -0.318 17519
2426 1 5 . 1 1 37 37 MET CA C 566 56.485 56.485 57.291 -0.806 17519
2427 1 5 . 1 1 37 37 MET CB C 566 35.011 35.011 32.674 2.337 17519
2428 1 5 . 1 1 37 37 MET H H 566 8.202 8.202 8.490 -0.288 17519
2429 1 5 . 1 1 38 38 GLN N N 567 121.561 121.561 123.068 -1.507 17519
2430 1 5 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.464 -0.027 17519
2431 1 5 . 1 1 38 38 GLN C C 567 175.809 175.809 175.346 0.463 17519
2432 1 5 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.651 0.171 17519
2433 1 5 . 1 1 38 38 GLN CB C 567 30.182 30.182 31.501 -1.319 17519
2434 1 5 . 1 1 38 38 GLN H H 567 8.489 8.489 8.212 0.277 17519
2435 1 5 . 1 1 39 39 ASP N N 568 121.881 121.881 124.989 -3.108 17519
2436 1 5 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.476 0.307 17519
2437 1 5 . 1 1 39 39 ASP C C 568 176.715 176.715 175.822 0.893 17519
2438 1 5 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.677 -0.510 17519
2439 1 5 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.642 -1.403 17519
2440 1 5 . 1 1 39 39 ASP H H 568 8.780 8.780 8.773 0.007 17519
2441 1 5 . 1 1 40 40 ALA N N 569 122.696 122.696 126.180 -3.484 17519
2442 1 5 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.211 0.141 17519
2443 1 5 . 1 1 40 40 ALA C C 569 175.165 175.165 177.322 -2.157 17519
2444 1 5 . 1 1 40 40 ALA CA C 569 50.493 50.493 52.048 -1.555 17519
2445 1 5 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.087 1.649 17519
2446 1 5 . 1 1 40 40 ALA H H 569 8.463 8.463 8.213 0.250 17519
2447 1 5 . 1 1 41 41 GLU N N 570 120.083 120.083 117.566 2.517 17519
2448 1 5 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.444 -0.093 17519
2449 1 5 . 1 1 41 41 GLU C C 570 174.683 174.683 176.878 -2.195 17519
2450 1 5 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.661 0.864 17519
2451 1 5 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.196 -2.965 17519
2452 1 5 . 1 1 41 41 GLU H H 570 10.398 10.398 8.581 1.817 17519
2453 1 5 . 1 1 42 42 ILE N N 571 119.363 119.363 119.829 -0.466 17519
2454 1 5 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.132 0.247 17519
2455 1 5 . 1 1 42 42 ILE C C 571 174.913 174.913 176.344 -1.431 17519
2456 1 5 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.136 -3.317 17519
2457 1 5 . 1 1 42 42 ILE CB C 571 39.586 39.586 37.737 1.849 17519
2458 1 5 . 1 1 42 42 ILE H H 571 6.526 6.526 7.873 -1.347 17519
2459 1 5 . 1 1 43 43 SER N N 572 121.258 121.258 115.174 6.084 17519
2460 1 5 . 1 1 43 43 SER HA H 572 4.352 4.352 4.469 -0.117 17519
2461 1 5 . 1 1 43 43 SER C C 572 175.617 175.617 173.942 1.675 17519
2462 1 5 . 1 1 43 43 SER CA C 572 60.125 60.125 58.472 1.653 17519
2463 1 5 . 1 1 43 43 SER CB C 572 63.063 63.063 63.629 -0.566 17519
2464 1 5 . 1 1 43 43 SER H H 572 8.618 8.618 8.071 0.547 17519
2465 1 5 . 1 1 44 44 GLY N N 573 111.836 111.836 111.652 0.184 17519
2466 1 5 . 1 1 44 44 GLY C C 573 173.828 173.828 172.983 0.845 17519
2467 1 5 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.254 -0.399 17519
2468 1 5 . 1 1 44 44 GLY H H 573 8.691 8.691 8.766 -0.075 17519
2469 1 5 . 1 1 45 45 TYR N N 574 116.297 116.297 120.678 -4.381 17519
2470 1 5 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.727 1.034 17519
2471 1 5 . 1 1 45 45 TYR C C 574 175.520 175.520 174.168 1.352 17519
2472 1 5 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.415 -0.896 17519
2473 1 5 . 1 1 45 45 TYR CB C 574 41.917 41.917 41.099 0.818 17519
2474 1 5 . 1 1 45 45 TYR H H 574 7.854 7.854 7.633 0.221 17519
2475 1 5 . 1 1 46 46 ALA N N 575 126.117 126.117 123.145 2.972 17519
2476 1 5 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.731 0.676 17519
2477 1 5 . 1 1 46 46 ALA C C 575 176.096 176.096 175.054 1.042 17519
2478 1 5 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.551 -0.179 17519
2479 1 5 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.591 2.775 17519
2480 1 5 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.321 0.389 17519
2481 1 5 . 1 1 47 47 LYS C C 576 173.794 173.794 174.664 -0.870 17519
2482 1 5 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.221 0.169 17519
2483 1 5 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.228 0.713 17519
2484 1 5 . 1 1 48 48 ILE N N 577 120.000 120.000 121.326 -1.326 17519
2485 1 5 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.631 -0.186 17519
2486 1 5 . 1 1 48 48 ILE C C 577 171.242 171.242 173.340 -2.098 17519
2487 1 5 . 1 1 48 48 ILE CA C 577 60.380 60.380 60.194 0.186 17519
2488 1 5 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.353 -0.037 17519
2489 1 5 . 1 1 48 48 ILE H H 577 8.041 8.041 8.836 -0.795 17519
2490 1 5 . 1 1 49 49 THR N N 578 122.357 122.357 121.147 1.210 17519
2491 1 5 . 1 1 49 49 THR HA H 578 5.344 5.344 5.529 -0.185 17519
2492 1 5 . 1 1 49 49 THR C C 578 173.601 173.601 173.781 -0.180 17519
2493 1 5 . 1 1 49 49 THR CA C 578 61.849 61.849 61.010 0.839 17519
2494 1 5 . 1 1 49 49 THR CB C 578 70.593 70.593 70.979 -0.386 17519
2495 1 5 . 1 1 49 49 THR H H 578 8.043 8.043 8.194 -0.151 17519
2496 1 5 . 1 1 50 50 VAL N N 579 126.489 126.489 125.293 1.196 17519
2497 1 5 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.171 -0.031 17519
2498 1 5 . 1 1 50 50 VAL C C 579 174.015 174.015 174.108 -0.093 17519
2499 1 5 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.791 -0.540 17519
2500 1 5 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.198 -0.045 17519
2501 1 5 . 1 1 50 50 VAL H H 579 9.349 9.349 8.587 0.762 17519
2502 1 5 . 1 1 51 51 ASP N N 580 126.891 126.891 127.639 -0.748 17519
2503 1 5 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.060 -0.193 17519
2504 1 5 . 1 1 51 51 ASP C C 580 176.752 176.752 175.963 0.789 17519
2505 1 5 . 1 1 51 51 ASP CA C 580 53.526 53.526 54.446 -0.920 17519
2506 1 5 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.221 -0.404 17519
2507 1 5 . 1 1 51 51 ASP H H 580 8.616 8.616 8.611 0.005 17519
2508 1 5 . 1 1 52 52 ILE N N 581 118.893 118.893 117.651 1.242 17519
2509 1 5 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.622 -0.034 17519
2510 1 5 . 1 1 52 52 ILE C C 581 176.717 176.717 176.300 0.417 17519
2511 1 5 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.280 -0.179 17519
2512 1 5 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.368 -0.313 17519
2513 1 5 . 1 1 52 52 ILE H H 581 8.627 8.627 8.105 0.522 17519
2514 1 5 . 1 1 53 53 GLY N N 582 114.728 114.728 110.873 3.855 17519
2515 1 5 . 1 1 53 53 GLY C C 582 174.442 174.442 175.178 -0.736 17519
2516 1 5 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.181 0.424 17519
2517 1 5 . 1 1 53 53 GLY H H 582 9.075 9.075 8.691 0.384 17519
2518 1 5 . 1 1 54 54 SER N N 583 120.404 120.404 114.125 6.279 17519
2519 1 5 . 1 1 54 54 SER HA H 583 4.549 4.549 4.662 -0.113 17519
2520 1 5 . 1 1 54 54 SER C C 583 175.149 175.149 172.726 2.423 17519
2521 1 5 . 1 1 54 54 SER CA C 583 58.133 58.133 57.373 0.760 17519
2522 1 5 . 1 1 54 54 SER CB C 583 63.647 63.647 63.185 0.462 17519
2523 1 5 . 1 1 54 54 SER H H 583 8.812 8.812 7.832 0.980 17519
2524 1 5 . 1 1 55 55 ALA N N 584 125.527 125.527 121.373 4.154 17519
2525 1 5 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.609 -0.192 17519
2526 1 5 . 1 1 55 55 ALA C C 584 175.867 175.867 175.199 0.668 17519
2527 1 5 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.046 0.321 17519
2528 1 5 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.629 -0.565 17519
2529 1 5 . 1 1 55 55 ALA H H 584 7.820 7.820 7.853 -0.033 17519
2530 1 5 . 1 1 56 56 SER N N 585 109.786 109.786 114.222 -4.436 17519
2531 1 5 . 1 1 56 56 SER HA H 585 4.564 4.564 4.542 0.022 17519
2532 1 5 . 1 1 56 56 SER C C 585 173.978 173.978 173.737 0.241 17519
2533 1 5 . 1 1 56 56 SER CA C 585 58.220 58.220 58.481 -0.261 17519
2534 1 5 . 1 1 56 56 SER CB C 585 64.962 64.962 63.619 1.343 17519
2535 1 5 . 1 1 56 56 SER H H 585 8.785 8.785 8.627 0.158 17519
2536 1 5 . 1 1 57 57 GLN N N 586 116.690 116.690 118.758 -2.068 17519
2537 1 5 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.905 0.243 17519
2538 1 5 . 1 1 57 57 GLN C C 586 172.923 172.923 173.322 -0.399 17519
2539 1 5 . 1 1 57 57 GLN CA C 586 53.996 53.996 54.772 -0.776 17519
2540 1 5 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.817 1.723 17519
2541 1 5 . 1 1 57 57 GLN H H 586 7.144 7.144 7.628 -0.484 17519
2542 1 5 . 1 1 58 58 LEU N N 587 123.011 123.011 123.619 -0.608 17519
2543 1 5 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.024 -0.356 17519
2544 1 5 . 1 1 58 58 LEU C C 587 173.426 173.426 174.392 -0.966 17519
2545 1 5 . 1 1 58 58 LEU CA C 587 53.378 53.378 54.119 -0.741 17519
2546 1 5 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.163 1.495 17519
2547 1 5 . 1 1 58 58 LEU H H 587 9.226 9.226 9.137 0.089 17519
2548 1 5 . 1 1 59 59 GLU N N 588 129.185 129.185 124.796 4.389 17519
2549 1 5 . 1 1 59 59 GLU HA H 588 5.309 5.309 4.951 0.358 17519
2550 1 5 . 1 1 59 59 GLU C C 588 175.409 175.409 174.930 0.479 17519
2551 1 5 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.895 0.755 17519
2552 1 5 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.329 0.719 17519
2553 1 5 . 1 1 59 59 GLU H H 588 8.830 8.830 8.913 -0.083 17519
2554 1 5 . 1 1 60 60 ALA N N 589 126.011 126.011 124.072 1.939 17519
2555 1 5 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.080 0.823 17519
2556 1 5 . 1 1 60 60 ALA C C 589 174.861 174.861 175.179 -0.318 17519
2557 1 5 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.078 0.069 17519
2558 1 5 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.050 1.806 17519
2559 1 5 . 1 1 60 60 ALA H H 589 9.748 9.748 8.056 1.692 17519
2560 1 5 . 1 1 61 61 ALA N N 590 120.783 120.783 122.448 -1.665 17519
2561 1 5 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.269 0.548 17519
2562 1 5 . 1 1 61 61 ALA C C 590 174.731 174.731 174.834 -0.103 17519
2563 1 5 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.675 0.453 17519
2564 1 5 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.303 0.797 17519
2565 1 5 . 1 1 61 61 ALA H H 590 9.392 9.392 8.316 1.076 17519
2566 1 5 . 1 1 62 62 PHE N N 591 116.572 116.572 117.682 -1.110 17519
2567 1 5 . 1 1 62 62 PHE HA H 591 6.007 6.007 5.062 0.945 17519
2568 1 5 . 1 1 62 62 PHE C C 591 175.059 175.059 174.508 0.551 17519
2569 1 5 . 1 1 62 62 PHE CA C 591 56.456 56.456 54.984 1.472 17519
2570 1 5 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.954 1.369 17519
2571 1 5 . 1 1 62 62 PHE H H 591 8.394 8.394 7.963 0.431 17519
2572 1 5 . 1 1 63 63 ASN N N 592 116.166 116.166 118.901 -2.735 17519
2573 1 5 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.319 -0.155 17519
2574 1 5 . 1 1 63 63 ASN C C 592 172.073 172.073 174.378 -2.305 17519
2575 1 5 . 1 1 63 63 ASN CA C 592 53.727 53.727 52.228 1.499 17519
2576 1 5 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.163 0.069 17519
2577 1 5 . 1 1 63 63 ASN H H 592 9.117 9.117 8.825 0.292 17519
2578 1 5 . 1 1 64 64 ASP N N 593 118.039 118.039 122.331 -4.292 17519
2579 1 5 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.381 -0.162 17519
2580 1 5 . 1 1 64 64 ASP C C 593 177.248 177.248 176.910 0.338 17519
2581 1 5 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.816 -3.565 17519
2582 1 5 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.294 -0.572 17519
2583 1 5 . 1 1 64 64 ASP H H 593 7.558 7.558 8.180 -0.622 17519
2584 1 5 . 1 1 65 65 GLY N N 594 110.622 110.622 106.418 4.204 17519
2585 1 5 . 1 1 65 65 GLY C C 594 173.126 173.126 173.694 -0.568 17519
2586 1 5 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.147 0.382 17519
2587 1 5 . 1 1 65 65 GLY H H 594 8.742 8.742 8.331 0.411 17519
2588 1 5 . 1 1 66 66 ASN N N 595 120.863 120.863 116.647 4.216 17519
2589 1 5 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.818 -0.061 17519
2590 1 5 . 1 1 66 66 ASN C C 595 174.434 174.434 174.998 -0.564 17519
2591 1 5 . 1 1 66 66 ASN CA C 595 52.167 52.167 52.265 -0.098 17519
2592 1 5 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.345 1.043 17519
2593 1 5 . 1 1 66 66 ASN H H 595 8.424 8.424 7.972 0.452 17519
2594 1 5 . 1 1 67 67 ASN N N 596 113.308 113.308 117.024 -3.716 17519
2595 1 5 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.614 -0.384 17519
2596 1 5 . 1 1 67 67 ASN C C 596 173.796 173.796 174.137 -0.341 17519
2597 1 5 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.377 0.048 17519
2598 1 5 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.883 0.270 17519
2599 1 5 . 1 1 67 67 ASN H H 596 8.744 8.744 8.847 -0.103 17519
2600 1 5 . 1 1 68 68 ASN N N 597 118.418 118.418 117.363 1.055 17519
2601 1 5 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.010 0.108 17519
2602 1 5 . 1 1 68 68 ASN C C 597 173.474 173.474 174.126 -0.652 17519
2603 1 5 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.523 0.615 17519
2604 1 5 . 1 1 68 68 ASN CB C 597 38.622 38.622 39.017 -0.394 17519
2605 1 5 . 1 1 68 68 ASN H H 597 8.032 8.032 8.482 -0.450 17519
2606 1 5 . 1 1 69 69 TRP N N 598 120.990 120.990 120.971 0.019 17519
2607 1 5 . 1 1 69 69 TRP HA H 598 4.856 4.856 4.886 -0.030 17519
2608 1 5 . 1 1 69 69 TRP C C 598 176.220 176.220 176.498 -0.278 17519
2609 1 5 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.481 0.752 17519
2610 1 5 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.401 1.817 17519
2611 1 5 . 1 1 69 69 TRP H H 598 8.842 8.842 8.198 0.644 17519
2612 1 5 . 1 1 70 70 ASP N N 599 122.210 122.210 122.936 -0.726 17519
2613 1 5 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.957 0.290 17519
2614 1 5 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.803 -0.557 17519
2615 1 5 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.611 0.287 17519
2616 1 5 . 1 1 70 70 ASP H H 599 9.831 9.831 8.651 1.180 17519
2617 1 5 . 1 1 71 71 SER N N 600 117.252 117.252 115.509 1.743 17519
2618 1 5 . 1 1 71 71 SER HA H 600 5.141 5.141 4.470 0.671 17519
2619 1 5 . 1 1 71 71 SER CA C 600 55.907 55.907 59.035 -3.128 17519
2620 1 5 . 1 1 71 71 SER H H 600 9.328 9.328 8.560 0.768 17519
2621 1 5 . 1 1 72 72 ASN N N 601 123.197 123.197 119.047 4.150 17519
2622 1 5 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.492 -0.063 17519
2623 1 5 . 1 1 72 72 ASN C C 601 176.895 176.895 174.973 1.922 17519
2624 1 5 . 1 1 72 72 ASN CA C 601 53.093 53.093 55.988 -2.895 17519
2625 1 5 . 1 1 72 72 ASN CB C 601 39.150 39.150 37.465 1.685 17519
2626 1 5 . 1 1 72 72 ASN H H 601 8.715 8.715 8.764 -0.049 17519
2627 1 5 . 1 1 73 73 ASN N N 602 116.099 116.099 115.574 0.525 17519
2628 1 5 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.690 -0.246 17519
2629 1 5 . 1 1 73 73 ASN C C 602 176.304 176.304 173.470 2.834 17519
2630 1 5 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.474 -0.009 17519
2631 1 5 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.944 -1.667 17519
2632 1 5 . 1 1 73 73 ASN H H 602 9.184 9.184 8.615 0.569 17519
2633 1 5 . 1 1 74 74 THR N N 603 110.445 110.445 115.100 -4.655 17519
2634 1 5 . 1 1 74 74 THR HA H 603 3.835 3.835 4.505 -0.670 17519
2635 1 5 . 1 1 74 74 THR C C 603 173.186 173.186 173.077 0.109 17519
2636 1 5 . 1 1 74 74 THR CA C 603 65.006 65.006 62.699 2.307 17519
2637 1 5 . 1 1 74 74 THR CB C 603 69.653 69.653 68.498 1.155 17519
2638 1 5 . 1 1 74 74 THR H H 603 7.829 7.829 8.058 -0.229 17519
2639 1 5 . 1 1 75 75 LYS N N 604 121.909 121.909 120.700 1.209 17519
2640 1 5 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.332 -0.195 17519
2641 1 5 . 1 1 75 75 LYS C C 604 177.262 177.262 174.765 2.497 17519
2642 1 5 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.975 1.792 17519
2643 1 5 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.126 0.250 17519
2644 1 5 . 1 1 75 75 LYS H H 604 7.714 7.714 7.766 -0.052 17519
2645 1 5 . 1 1 76 76 ASN N N 605 108.823 108.823 119.316 -10.493 17519
2646 1 5 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.363 -0.423 17519
2647 1 5 . 1 1 76 76 ASN C C 605 171.742 171.742 175.032 -3.290 17519
2648 1 5 . 1 1 76 76 ASN CA C 605 54.159 54.159 53.665 0.494 17519
2649 1 5 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.664 0.363 17519
2650 1 5 . 1 1 76 76 ASN H H 605 8.274 8.274 8.083 0.191 17519
2651 1 5 . 1 1 77 77 TYR N N 606 117.628 117.628 116.217 1.411 17519
2652 1 5 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.576 0.251 17519
2653 1 5 . 1 1 77 77 TYR C C 606 174.468 174.468 174.353 0.115 17519
2654 1 5 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.166 0.403 17519
2655 1 5 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.736 0.819 17519
2656 1 5 . 1 1 77 77 TYR H H 606 9.055 9.055 8.309 0.746 17519
2657 1 5 . 1 1 78 78 LEU N N 607 121.811 121.811 119.189 2.622 17519
2658 1 5 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.280 1.023 17519
2659 1 5 . 1 1 78 78 LEU C C 607 175.673 175.673 175.501 0.172 17519
2660 1 5 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.001 -0.757 17519
2661 1 5 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.942 1.029 17519
2662 1 5 . 1 1 78 78 LEU H H 607 7.983 7.983 8.067 -0.084 17519
2663 1 5 . 1 1 79 79 PHE N N 608 121.390 121.390 121.873 -0.483 17519
2664 1 5 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.922 -0.095 17519
2665 1 5 . 1 1 79 79 PHE C C 608 175.786 175.786 175.020 0.766 17519
2666 1 5 . 1 1 79 79 PHE CA C 608 56.851 56.851 55.959 0.892 17519
2667 1 5 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.464 0.099 17519
2668 1 5 . 1 1 79 79 PHE H H 608 9.240 9.240 8.629 0.611 17519
2669 1 5 . 1 1 80 80 SER N N 609 117.589 117.589 115.585 2.004 17519
2670 1 5 . 1 1 80 80 SER HA H 609 4.979 4.979 4.695 0.284 17519
2671 1 5 . 1 1 80 80 SER C C 609 173.269 173.269 174.444 -1.175 17519
2672 1 5 . 1 1 80 80 SER CA C 609 57.811 57.811 56.151 1.660 17519
2673 1 5 . 1 1 80 80 SER CB C 609 64.856 64.856 65.278 -0.422 17519
2674 1 5 . 1 1 80 80 SER H H 609 8.948 8.948 8.624 0.324 17519
2675 1 5 . 1 1 81 81 THR N N 610 112.845 112.845 115.535 -2.690 17519
2676 1 5 . 1 1 81 81 THR HA H 610 3.871 3.871 4.161 -0.290 17519
2677 1 5 . 1 1 81 81 THR C C 610 174.439 174.439 175.508 -1.069 17519
2678 1 5 . 1 1 81 81 THR CA C 610 64.353 64.353 62.935 1.418 17519
2679 1 5 . 1 1 81 81 THR CB C 610 69.421 69.421 69.185 0.236 17519
2680 1 5 . 1 1 82 82 GLY N N 611 112.157 112.157 108.806 3.351 17519
2681 1 5 . 1 1 82 82 GLY C C 611 174.430 174.430 172.200 2.230 17519
2682 1 5 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.579 -0.713 17519
2683 1 5 . 1 1 82 82 GLY H H 611 8.468 8.468 7.958 0.510 17519
2684 1 5 . 1 1 83 83 THR N N 612 120.992 120.992 116.818 4.174 17519
2685 1 5 . 1 1 83 83 THR HA H 612 5.483 5.483 4.957 0.526 17519
2686 1 5 . 1 1 83 83 THR C C 612 174.819 174.819 173.440 1.379 17519
2687 1 5 . 1 1 83 83 THR CA C 612 62.563 62.563 62.370 0.193 17519
2688 1 5 . 1 1 83 83 THR CB C 612 70.093 70.093 70.469 -0.376 17519
2689 1 5 . 1 1 83 83 THR H H 612 8.736 8.736 8.193 0.543 17519
2690 1 5 . 1 1 84 84 SER N N 613 122.602 122.602 121.320 1.282 17519
2691 1 5 . 1 1 84 84 SER HA H 613 5.489 5.489 5.014 0.475 17519
2692 1 5 . 1 1 84 84 SER C C 613 172.064 172.064 172.809 -0.745 17519
2693 1 5 . 1 1 84 84 SER CA C 613 58.813 58.813 57.389 1.424 17519
2694 1 5 . 1 1 84 84 SER CB C 613 67.694 67.694 66.110 1.584 17519
2695 1 5 . 1 1 84 84 SER H H 613 9.051 9.051 9.183 -0.132 17519
2696 1 5 . 1 1 85 85 THR N N 614 117.759 117.759 121.179 -3.420 17519
2697 1 5 . 1 1 85 85 THR HA H 614 5.256 5.256 5.130 0.126 17519
2698 1 5 . 1 1 85 85 THR C C 614 173.632 173.632 172.894 0.738 17519
2699 1 5 . 1 1 85 85 THR CA C 614 62.724 62.724 61.712 1.012 17519
2700 1 5 . 1 1 85 85 THR CB C 614 70.908 70.908 70.525 0.383 17519
2701 1 5 . 1 1 85 85 THR H H 614 9.523 9.523 8.585 0.938 17519
2702 1 5 . 1 1 86 86 TYR N N 615 131.519 131.519 129.862 1.657 17519
2703 1 5 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.824 0.389 17519
2704 1 5 . 1 1 86 86 TYR C C 615 172.999 172.999 173.595 -0.596 17519
2705 1 5 . 1 1 86 86 TYR CA C 615 57.163 57.163 54.919 2.244 17519
2706 1 5 . 1 1 86 86 TYR CB C 615 41.569 41.569 39.235 2.334 17519
2707 1 5 . 1 1 86 86 TYR H H 615 10.029 10.029 9.315 0.714 17519
2708 1 5 . 1 1 87 87 THR N N 616 124.674 124.674 124.942 -0.268 17519
2709 1 5 . 1 1 87 87 THR HA H 616 4.370 4.370 4.517 -0.147 17519
2710 1 5 . 1 1 87 87 THR CA C 616 58.725 58.725 59.894 -1.169 17519
2711 1 5 . 1 1 87 87 THR CB C 616 70.070 70.070 69.623 0.447 17519
2712 1 5 . 1 1 87 87 THR H H 616 8.027 8.027 8.888 -0.861 17519
2713 1 5 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.656 -0.564 17519
2714 1 5 . 1 1 88 88 PRO C C 617 177.011 177.011 176.501 0.510 17519
2715 1 5 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.274 0.613 17519
2716 1 5 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.740 -0.416 17519
2717 1 5 . 1 1 89 89 GLY N N 618 108.881 108.881 107.937 0.944 17519
2718 1 5 . 1 1 89 89 GLY C C 618 173.673 173.673 173.520 0.153 17519
2719 1 5 . 1 1 89 89 GLY CA C 618 43.996 43.996 43.784 0.212 17519
2720 1 5 . 1 1 89 89 GLY H H 618 8.261 8.261 8.413 -0.152 17519
2721 1 5 . 1 1 90 90 SER N N 619 114.743 114.743 115.199 -0.456 17519
2722 1 5 . 1 1 90 90 SER HA H 619 4.537 4.537 4.720 -0.183 17519
2723 1 5 . 1 1 90 90 SER C C 619 175.706 175.706 173.518 2.188 17519
2724 1 5 . 1 1 90 90 SER CA C 619 57.617 57.617 58.158 -0.541 17519
2725 1 5 . 1 1 90 90 SER CB C 619 64.294 64.294 65.278 -0.984 17519
2726 1 5 . 1 1 90 90 SER H H 619 8.380 8.380 8.286 0.094 17519
2727 1 5 . 1 1 91 91 ASN N N 620 121.360 121.360 120.074 1.286 17519
2728 1 5 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.588 -0.176 17519
2729 1 5 . 1 1 91 91 ASN C C 620 175.289 175.289 174.581 0.708 17519
2730 1 5 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.450 0.903 17519
2731 1 5 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.457 0.276 17519
2732 1 5 . 1 1 91 91 ASN H H 620 9.296 9.296 8.856 0.440 17519
2733 1 5 . 1 1 92 92 GLY N N 621 105.883 105.883 103.952 1.931 17519
2734 1 5 . 1 1 92 92 GLY C C 621 174.510 174.510 173.563 0.947 17519
2735 1 5 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.830 -0.601 17519
2736 1 5 . 1 1 92 92 GLY H H 621 8.528 8.528 8.442 0.086 17519
2737 1 5 . 1 1 93 93 ALA N N 622 123.803 123.803 121.921 1.882 17519
2738 1 5 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.566 -0.150 17519
2739 1 5 . 1 1 93 93 ALA C C 622 176.820 176.820 176.314 0.506 17519
2740 1 5 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.816 1.035 17519
2741 1 5 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.290 -0.486 17519
2742 1 5 . 1 1 93 93 ALA H H 622 7.486 7.486 7.971 -0.485 17519
2743 1 5 . 1 1 94 94 ALA N N 623 123.284 123.284 127.466 -4.182 17519
2744 1 5 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.490 0.100 17519
2745 1 5 . 1 1 94 94 ALA C C 623 178.770 178.770 178.054 0.716 17519
2746 1 5 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.924 -0.297 17519
2747 1 5 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.686 0.401 17519
2748 1 5 . 1 1 94 94 ALA H H 623 8.397 8.397 8.623 -0.226 17519
2749 1 5 . 1 1 95 95 GLY N N 624 108.970 108.970 108.302 0.668 17519
2750 1 5 . 1 1 95 95 GLY C C 624 173.156 173.156 173.794 -0.638 17519
2751 1 5 . 1 1 95 95 GLY CA C 624 44.857 44.857 45.049 -0.192 17519
2752 1 5 . 1 1 95 95 GLY H H 624 8.438 8.438 8.736 -0.298 17519
2753 1 5 . 1 1 96 96 THR N N 625 108.929 108.929 112.208 -3.279 17519
2754 1 5 . 1 1 96 96 THR HA H 625 4.603 4.603 4.662 -0.059 17519
2755 1 5 . 1 1 96 96 THR C C 625 172.765 172.765 172.889 -0.124 17519
2756 1 5 . 1 1 96 96 THR CA C 625 60.350 60.350 61.278 -0.928 17519
2757 1 5 . 1 1 96 96 THR CB C 625 72.295 72.295 71.485 0.810 17519
2758 1 5 . 1 1 96 96 THR H H 625 7.833 7.833 8.203 -0.370 17519
2759 1 5 . 1 1 97 97 ILE N N 626 123.623 123.623 120.337 3.286 17519
2760 1 5 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.242 -0.425 17519
2761 1 5 . 1 1 97 97 ILE C C 626 175.596 175.596 175.711 -0.115 17519
2762 1 5 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.576 1.473 17519
2763 1 5 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.910 1.268 17519
2764 1 5 . 1 1 97 97 ILE H H 626 8.594 8.594 8.389 0.205 17519
2765 1 5 . 1 1 98 98 ARG N N 627 127.431 127.431 126.774 0.657 17519
2766 1 5 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.759 0.176 17519
2767 1 5 . 1 1 98 98 ARG C C 627 175.183 175.183 175.429 -0.246 17519
2768 1 5 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.201 -0.433 17519
2769 1 5 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.999 0.777 17519
2770 1 5 . 1 1 98 98 ARG H H 627 8.979 8.979 9.083 -0.104 17519
2771 1 5 . 1 1 99 99 THR N N 628 118.452 118.452 118.142 0.310 17519
2772 1 5 . 1 1 99 99 THR HA H 628 4.410 4.410 4.454 -0.044 17519
2773 1 5 . 1 1 99 99 THR C C 628 174.845 174.845 174.949 -0.104 17519
2774 1 5 . 1 1 99 99 THR CA C 628 63.962 63.962 62.133 1.829 17519
2775 1 5 . 1 1 99 99 THR CB C 628 69.488 69.488 69.300 0.188 17519
2776 1 5 . 1 1 99 99 THR H H 628 8.697 8.697 8.514 0.183 17519
2777 1 5 . 1 1 100 100 GLY N N 629 114.137 114.137 110.428 3.709 17519
2778 1 5 . 1 1 100 100 GLY C C 629 171.903 171.903 172.886 -0.983 17519
2779 1 5 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.317 -0.570 17519
2780 1 5 . 1 1 100 100 GLY H H 629 8.626 8.626 8.462 0.164 17519
2781 1 5 . 1 1 101 101 ALA N N 630 120.627 120.627 124.450 -3.823 17519
2782 1 5 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.157 -0.465 17519
2783 1 5 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.789 -1.361 17519
2784 1 5 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.360 -0.289 17519
2785 1 5 . 1 1 101 101 ALA H H 630 7.980 7.980 8.165 -0.185 17519
2786 1 5 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.331 -0.206 17519
2787 1 5 . 1 1 102 102 PRO C C 631 175.721 175.721 175.615 0.106 17519
2788 1 5 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.420 0.520 17519
2789 1 5 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.961 -1.216 17519
2790 1 5 . 1 1 103 103 SER N N 632 113.689 113.689 115.410 -1.721 17519
2791 1 5 . 1 1 103 103 SER HA H 632 4.295 4.295 4.383 -0.088 17519
2792 1 5 . 1 1 103 103 SER C C 632 173.816 173.816 173.318 0.498 17519
2793 1 5 . 1 1 103 103 SER CA C 632 57.689 57.689 58.356 -0.667 17519
2794 1 5 . 1 1 103 103 SER CB C 632 64.133 64.133 63.123 1.010 17519
2795 1 5 . 1 1 103 103 SER H H 632 7.969 7.969 8.037 -0.068 17519
2796 1 6 . 1 1 2 2 GLY C C 531 174.309 174.309 175.406 -1.097 17519
2797 1 6 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.700 0.476 17519
2798 1 6 . 1 1 3 3 THR N N 532 113.802 113.802 114.220 -0.418 17519
2799 1 6 . 1 1 3 3 THR HA H 532 4.429 4.429 4.208 0.221 17519
2800 1 6 . 1 1 3 3 THR C C 532 174.430 174.430 174.324 0.106 17519
2801 1 6 . 1 1 3 3 THR CA C 532 61.577 61.577 63.023 -1.446 17519
2802 1 6 . 1 1 3 3 THR CB C 532 69.849 69.849 69.783 0.066 17519
2803 1 6 . 1 1 3 3 THR H H 532 8.140 8.140 8.069 0.071 17519
2804 1 6 . 1 1 4 4 THR N N 533 115.407 115.407 112.384 3.023 17519
2805 1 6 . 1 1 4 4 THR HA H 533 4.350 4.350 4.333 0.017 17519
2806 1 6 . 1 1 4 4 THR C C 533 173.831 173.831 173.598 0.233 17519
2807 1 6 . 1 1 4 4 THR CA C 533 60.266 60.266 62.230 -1.964 17519
2808 1 6 . 1 1 4 4 THR CB C 533 69.788 69.788 70.157 -0.369 17519
2809 1 6 . 1 1 4 4 THR H H 533 8.019 8.019 8.396 -0.377 17519
2810 1 6 . 1 1 5 5 ASN N N 534 121.822 121.822 119.456 2.366 17519
2811 1 6 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.983 -0.147 17519
2812 1 6 . 1 1 5 5 ASN C C 534 174.057 174.057 173.346 0.711 17519
2813 1 6 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.754 -0.068 17519
2814 1 6 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.633 -1.477 17519
2815 1 6 . 1 1 5 5 ASN H H 534 8.863 8.863 8.043 0.820 17519
2816 1 6 . 1 1 6 6 LYS N N 535 119.369 119.369 118.892 0.477 17519
2817 1 6 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.850 0.335 17519
2818 1 6 . 1 1 6 6 LYS C C 535 175.924 175.924 174.753 1.171 17519
2819 1 6 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.274 -0.743 17519
2820 1 6 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.119 -0.103 17519
2821 1 6 . 1 1 6 6 LYS H H 535 8.347 8.347 8.279 0.068 17519
2822 1 6 . 1 1 7 7 VAL N N 536 123.112 123.112 122.442 0.670 17519
2823 1 6 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.426 0.147 17519
2824 1 6 . 1 1 7 7 VAL C C 536 174.602 174.602 175.685 -1.083 17519
2825 1 6 . 1 1 7 7 VAL CA C 536 61.145 61.145 59.972 1.173 17519
2826 1 6 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.986 1.787 17519
2827 1 6 . 1 1 7 7 VAL H H 536 8.828 8.828 8.919 -0.091 17519
2828 1 6 . 1 1 8 8 THR N N 537 125.255 125.255 124.090 1.165 17519
2829 1 6 . 1 1 8 8 THR HA H 537 5.396 5.396 4.904 0.492 17519
2830 1 6 . 1 1 8 8 THR C C 537 173.129 173.129 173.664 -0.535 17519
2831 1 6 . 1 1 8 8 THR CA C 537 61.611 61.611 62.477 -0.866 17519
2832 1 6 . 1 1 8 8 THR CB C 537 70.113 70.113 69.691 0.422 17519
2833 1 6 . 1 1 8 8 THR H H 537 8.914 8.914 8.937 -0.023 17519
2834 1 6 . 1 1 9 9 VAL N N 538 126.696 126.696 126.597 0.099 17519
2835 1 6 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.655 -0.121 17519
2836 1 6 . 1 1 9 9 VAL C C 538 175.565 175.565 174.373 1.192 17519
2837 1 6 . 1 1 9 9 VAL CA C 538 60.879 60.879 61.153 -0.274 17519
2838 1 6 . 1 1 9 9 VAL CB C 538 35.179 35.179 33.902 1.277 17519
2839 1 6 . 1 1 9 9 VAL H H 538 8.585 8.585 8.902 -0.317 17519
2840 1 6 . 1 1 10 10 TYR N N 539 124.488 124.488 128.244 -3.756 17519
2841 1 6 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.429 -0.171 17519
2842 1 6 . 1 1 10 10 TYR C C 539 174.309 174.309 174.497 -0.188 17519
2843 1 6 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.562 0.704 17519
2844 1 6 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.418 -1.008 17519
2845 1 6 . 1 1 10 10 TYR H H 539 9.111 9.111 8.889 0.222 17519
2846 1 6 . 1 1 11 11 TYR N N 540 125.848 125.848 126.502 -0.654 17519
2847 1 6 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.626 -0.600 17519
2848 1 6 . 1 1 11 11 TYR C C 540 173.346 173.346 173.605 -0.259 17519
2849 1 6 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.084 1.518 17519
2850 1 6 . 1 1 11 11 TYR CB C 540 42.958 42.958 43.032 -0.075 17519
2851 1 6 . 1 1 11 11 TYR H H 540 9.580 9.580 8.894 0.686 17519
2852 1 6 . 1 1 12 12 LYS N N 541 131.489 131.489 127.549 3.940 17519
2853 1 6 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.803 -0.351 17519
2854 1 6 . 1 1 12 12 LYS C C 541 172.904 172.904 174.611 -1.707 17519
2855 1 6 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.699 1.016 17519
2856 1 6 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.996 0.101 17519
2857 1 6 . 1 1 12 12 LYS H H 541 8.406 8.406 8.163 0.243 17519
2858 1 6 . 1 1 13 13 LYS N N 542 125.132 125.132 126.576 -1.444 17519
2859 1 6 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.900 0.038 17519
2860 1 6 . 1 1 13 13 LYS C C 542 180.078 180.078 176.288 3.790 17519
2861 1 6 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.367 -3.931 17519
2862 1 6 . 1 1 13 13 LYS CB C 542 31.605 31.605 33.100 -1.496 17519
2863 1 6 . 1 1 13 13 LYS H H 542 7.515 7.515 7.528 -0.013 17519
2864 1 6 . 1 1 14 14 GLY N N 543 112.724 112.724 113.217 -0.493 17519
2865 1 6 . 1 1 14 14 GLY C C 543 174.151 174.151 173.183 0.968 17519
2866 1 6 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.626 1.664 17519
2867 1 6 . 1 1 14 14 GLY H H 543 7.629 7.629 8.223 -0.594 17519
2868 1 6 . 1 1 15 15 PHE N N 544 121.583 121.583 120.442 1.141 17519
2869 1 6 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.945 -0.223 17519
2870 1 6 . 1 1 15 15 PHE C C 544 175.876 175.876 175.428 0.448 17519
2871 1 6 . 1 1 15 15 PHE CA C 544 57.110 57.110 57.121 -0.011 17519
2872 1 6 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.477 -2.086 17519
2873 1 6 . 1 1 15 15 PHE H H 544 8.557 8.557 8.795 -0.238 17519
2874 1 6 . 1 1 16 16 ASN N N 545 117.559 117.559 117.003 0.556 17519
2875 1 6 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.845 -0.381 17519
2876 1 6 . 1 1 16 16 ASN C C 545 176.289 176.289 174.864 1.425 17519
2877 1 6 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.677 2.743 17519
2878 1 6 . 1 1 16 16 ASN CB C 545 39.263 39.263 40.003 -0.740 17519
2879 1 6 . 1 1 16 16 ASN H H 545 8.561 8.561 8.491 0.070 17519
2880 1 6 . 1 1 17 17 SER N N 546 112.901 112.901 113.570 -0.669 17519
2881 1 6 . 1 1 17 17 SER HA H 546 4.862 4.862 4.685 0.177 17519
2882 1 6 . 1 1 17 17 SER CA C 546 53.586 53.586 57.107 -3.521 17519
2883 1 6 . 1 1 17 17 SER CB C 546 63.708 63.708 64.241 -0.533 17519
2884 1 6 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.630 -0.037 17519
2885 1 6 . 1 1 18 18 PRO C C 547 175.806 175.806 175.701 0.105 17519
2886 1 6 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.268 0.253 17519
2887 1 6 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.332 0.331 17519
2888 1 6 . 1 1 19 19 TYR N N 548 122.230 122.230 120.012 2.218 17519
2889 1 6 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.388 0.489 17519
2890 1 6 . 1 1 19 19 TYR C C 548 174.660 174.660 174.585 0.075 17519
2891 1 6 . 1 1 19 19 TYR CA C 548 56.660 56.660 58.341 -1.681 17519
2892 1 6 . 1 1 19 19 TYR CB C 548 40.462 40.462 41.837 -1.375 17519
2893 1 6 . 1 1 19 19 TYR H H 548 9.141 9.141 7.928 1.213 17519
2894 1 6 . 1 1 20 20 ILE N N 549 118.425 118.425 118.719 -0.294 17519
2895 1 6 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.475 0.597 17519
2896 1 6 . 1 1 20 20 ILE C C 549 171.422 171.422 173.099 -1.677 17519
2897 1 6 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.791 -0.362 17519
2898 1 6 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.373 0.383 17519
2899 1 6 . 1 1 21 21 HIS N N 550 133.248 133.248 126.872 6.376 17519
2900 1 6 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.609 0.754 17519
2901 1 6 . 1 1 21 21 HIS C C 550 174.988 174.988 173.142 1.846 17519
2902 1 6 . 1 1 21 21 HIS CA C 550 53.915 53.915 53.932 -0.017 17519
2903 1 6 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.681 2.093 17519
2904 1 6 . 1 1 21 21 HIS H H 550 8.956 8.956 8.249 0.707 17519
2905 1 6 . 1 1 22 22 TYR N N 551 121.831 121.831 123.335 -1.504 17519
2906 1 6 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.305 0.878 17519
2907 1 6 . 1 1 22 22 TYR C C 551 173.934 173.934 173.560 0.374 17519
2908 1 6 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.797 1.871 17519
2909 1 6 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.282 1.436 17519
2910 1 6 . 1 1 22 22 TYR H H 551 8.204 8.204 8.135 0.069 17519
2911 1 6 . 1 1 23 23 ARG N N 552 115.619 115.619 119.227 -3.608 17519
2912 1 6 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.589 0.173 17519
2913 1 6 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.345 0.135 17519
2914 1 6 . 1 1 23 23 ARG CB C 552 32.038 32.038 32.922 -0.884 17519
2915 1 6 . 1 1 23 23 ARG H H 552 8.674 8.674 8.912 -0.238 17519
2916 1 6 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.505 0.051 17519
2917 1 6 . 1 1 24 24 PRO C C 553 176.736 176.736 177.290 -0.554 17519
2918 1 6 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.116 0.236 17519
2919 1 6 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.865 -0.985 17519
2920 1 6 . 1 1 25 25 ALA N N 554 125.908 125.908 124.524 1.384 17519
2921 1 6 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.862 0.160 17519
2922 1 6 . 1 1 25 25 ALA C C 554 179.217 179.217 179.141 0.076 17519
2923 1 6 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.612 -0.527 17519
2924 1 6 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.480 -0.248 17519
2925 1 6 . 1 1 25 25 ALA H H 554 8.293 8.293 8.223 0.070 17519
2926 1 6 . 1 1 26 26 GLY N N 555 111.766 111.766 104.647 7.119 17519
2927 1 6 . 1 1 26 26 GLY C C 555 174.796 174.796 175.535 -0.739 17519
2928 1 6 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.090 0.551 17519
2929 1 6 . 1 1 26 26 GLY H H 555 8.602 8.602 8.080 0.522 17519
2930 1 6 . 1 1 27 27 GLY N N 556 109.512 109.512 108.364 1.148 17519
2931 1 6 . 1 1 27 27 GLY C C 556 173.368 173.368 174.005 -0.637 17519
2932 1 6 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.721 -0.515 17519
2933 1 6 . 1 1 27 27 GLY H H 556 8.494 8.494 8.402 0.092 17519
2934 1 6 . 1 1 28 28 SER N N 557 117.962 117.962 114.829 3.133 17519
2935 1 6 . 1 1 28 28 SER HA H 557 4.690 4.690 4.629 0.061 17519
2936 1 6 . 1 1 28 28 SER C C 557 173.656 173.656 172.909 0.747 17519
2937 1 6 . 1 1 28 28 SER CA C 557 57.492 57.492 56.474 1.018 17519
2938 1 6 . 1 1 28 28 SER CB C 557 64.803 64.803 65.197 -0.394 17519
2939 1 6 . 1 1 28 28 SER H H 557 8.681 8.681 7.384 1.297 17519
2940 1 6 . 1 1 29 29 TRP N N 558 123.928 123.928 120.705 3.223 17519
2941 1 6 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.784 -0.332 17519
2942 1 6 . 1 1 29 29 TRP C C 558 178.891 178.891 176.467 2.424 17519
2943 1 6 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.739 1.335 17519
2944 1 6 . 1 1 29 29 TRP CB C 558 30.706 30.706 31.513 -0.807 17519
2945 1 6 . 1 1 29 29 TRP H H 558 8.392 8.392 8.410 -0.018 17519
2946 1 6 . 1 1 30 30 THR N N 559 111.067 111.067 120.722 -9.655 17519
2947 1 6 . 1 1 30 30 THR HA H 559 4.037 4.037 4.313 -0.276 17519
2948 1 6 . 1 1 30 30 THR C C 559 174.782 174.782 174.987 -0.205 17519
2949 1 6 . 1 1 30 30 THR CA C 559 61.321 61.321 63.254 -1.933 17519
2950 1 6 . 1 1 30 30 THR CB C 559 70.561 70.561 69.814 0.747 17519
2951 1 6 . 1 1 30 30 THR H H 559 7.953 7.953 8.391 -0.438 17519
2952 1 6 . 1 1 31 31 ALA N N 560 123.046 123.046 123.497 -0.451 17519
2953 1 6 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.106 0.345 17519
2954 1 6 . 1 1 31 31 ALA C C 560 178.493 178.493 176.602 1.891 17519
2955 1 6 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.699 -0.785 17519
2956 1 6 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.674 -0.675 17519
2957 1 6 . 1 1 31 31 ALA H H 560 8.437 8.437 8.375 0.062 17519
2958 1 6 . 1 1 32 32 ALA N N 561 129.644 129.644 127.628 2.016 17519
2959 1 6 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.016 -0.075 17519
2960 1 6 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.611 2.145 17519
2961 1 6 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.504 -2.354 17519
2962 1 6 . 1 1 32 32 ALA H H 561 8.828 8.828 8.167 0.661 17519
2963 1 6 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.255 -0.357 17519
2964 1 6 . 1 1 33 33 PRO C C 562 173.280 173.280 176.796 -3.516 17519
2965 1 6 . 1 1 33 33 PRO CA C 562 63.439 63.439 61.967 1.472 17519
2966 1 6 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.305 0.206 17519
2967 1 6 . 1 1 34 34 GLY N N 563 112.224 112.224 111.082 1.142 17519
2968 1 6 . 1 1 34 34 GLY C C 563 173.977 173.977 174.509 -0.532 17519
2969 1 6 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.457 -2.508 17519
2970 1 6 . 1 1 34 34 GLY H H 563 8.763 8.763 7.908 0.855 17519
2971 1 6 . 1 1 35 35 VAL N N 564 123.427 123.427 118.562 4.865 17519
2972 1 6 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.519 -0.118 17519
2973 1 6 . 1 1 35 35 VAL C C 564 174.734 174.734 174.822 -0.088 17519
2974 1 6 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.655 1.233 17519
2975 1 6 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.749 -0.848 17519
2976 1 6 . 1 1 36 36 LYS N N 565 128.212 128.212 124.059 4.153 17519
2977 1 6 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.606 -0.497 17519
2978 1 6 . 1 1 36 36 LYS C C 565 176.437 176.437 175.808 0.629 17519
2979 1 6 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.355 1.833 17519
2980 1 6 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.019 0.395 17519
2981 1 6 . 1 1 36 36 LYS H H 565 8.486 8.486 8.499 -0.013 17519
2982 1 6 . 1 1 37 37 MET N N 566 124.964 124.964 123.100 1.864 17519
2983 1 6 . 1 1 37 37 MET HA H 566 4.228 4.228 4.101 0.127 17519
2984 1 6 . 1 1 37 37 MET C C 566 175.652 175.652 175.928 -0.276 17519
2985 1 6 . 1 1 37 37 MET CA C 566 56.485 56.485 57.076 -0.591 17519
2986 1 6 . 1 1 37 37 MET CB C 566 35.011 35.011 32.553 2.458 17519
2987 1 6 . 1 1 37 37 MET H H 566 8.202 8.202 8.394 -0.192 17519
2988 1 6 . 1 1 38 38 GLN N N 567 121.561 121.561 123.358 -1.797 17519
2989 1 6 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.449 -0.012 17519
2990 1 6 . 1 1 38 38 GLN C C 567 175.809 175.809 175.396 0.413 17519
2991 1 6 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.804 0.018 17519
2992 1 6 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.359 -0.177 17519
2993 1 6 . 1 1 38 38 GLN H H 567 8.489 8.489 8.179 0.310 17519
2994 1 6 . 1 1 39 39 ASP N N 568 121.881 121.881 125.043 -3.162 17519
2995 1 6 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.444 0.339 17519
2996 1 6 . 1 1 39 39 ASP C C 568 176.715 176.715 176.132 0.583 17519
2997 1 6 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.311 -0.144 17519
2998 1 6 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.435 -1.196 17519
2999 1 6 . 1 1 39 39 ASP H H 568 8.780 8.780 8.756 0.024 17519
3000 1 6 . 1 1 40 40 ALA N N 569 122.696 122.696 126.604 -3.908 17519
3001 1 6 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.201 0.151 17519
3002 1 6 . 1 1 40 40 ALA C C 569 175.165 175.165 177.518 -2.353 17519
3003 1 6 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.779 -1.286 17519
3004 1 6 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.444 1.291 17519
3005 1 6 . 1 1 40 40 ALA H H 569 8.463 8.463 8.450 0.013 17519
3006 1 6 . 1 1 41 41 GLU N N 570 120.083 120.083 117.667 2.416 17519
3007 1 6 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.450 -0.099 17519
3008 1 6 . 1 1 41 41 GLU C C 570 174.683 174.683 176.959 -2.276 17519
3009 1 6 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.609 0.916 17519
3010 1 6 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.492 -3.261 17519
3011 1 6 . 1 1 41 41 GLU H H 570 10.398 10.398 8.624 1.774 17519
3012 1 6 . 1 1 42 42 ILE N N 571 119.363 119.363 121.183 -1.820 17519
3013 1 6 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.136 0.243 17519
3014 1 6 . 1 1 42 42 ILE C C 571 174.913 174.913 176.581 -1.668 17519
3015 1 6 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.266 -3.446 17519
3016 1 6 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.263 1.323 17519
3017 1 6 . 1 1 42 42 ILE H H 571 6.526 6.526 8.023 -1.497 17519
3018 1 6 . 1 1 43 43 SER N N 572 121.258 121.258 116.302 4.956 17519
3019 1 6 . 1 1 43 43 SER HA H 572 4.352 4.352 4.488 -0.136 17519
3020 1 6 . 1 1 43 43 SER C C 572 175.617 175.617 174.073 1.544 17519
3021 1 6 . 1 1 43 43 SER CA C 572 60.125 60.125 58.473 1.652 17519
3022 1 6 . 1 1 43 43 SER CB C 572 63.063 63.063 63.584 -0.521 17519
3023 1 6 . 1 1 43 43 SER H H 572 8.618 8.618 7.907 0.711 17519
3024 1 6 . 1 1 44 44 GLY N N 573 111.836 111.836 113.432 -1.596 17519
3025 1 6 . 1 1 44 44 GLY C C 573 173.828 173.828 173.500 0.328 17519
3026 1 6 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.233 -0.378 17519
3027 1 6 . 1 1 44 44 GLY H H 573 8.691 8.691 8.594 0.097 17519
3028 1 6 . 1 1 45 45 TYR N N 574 116.297 116.297 120.360 -4.063 17519
3029 1 6 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.775 0.986 17519
3030 1 6 . 1 1 45 45 TYR C C 574 175.520 175.520 174.417 1.103 17519
3031 1 6 . 1 1 45 45 TYR CA C 574 56.519 56.519 56.217 0.302 17519
3032 1 6 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.286 1.631 17519
3033 1 6 . 1 1 45 45 TYR H H 574 7.854 7.854 7.651 0.203 17519
3034 1 6 . 1 1 46 46 ALA N N 575 126.117 126.117 123.522 2.595 17519
3035 1 6 . 1 1 46 46 ALA HA H 575 5.407 5.407 5.181 0.226 17519
3036 1 6 . 1 1 46 46 ALA C C 575 176.096 176.096 175.032 1.064 17519
3037 1 6 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.199 0.173 17519
3038 1 6 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.830 2.536 17519
3039 1 6 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.493 0.217 17519
3040 1 6 . 1 1 47 47 LYS C C 576 173.794 173.794 174.795 -1.001 17519
3041 1 6 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.375 0.015 17519
3042 1 6 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.266 0.675 17519
3043 1 6 . 1 1 48 48 ILE N N 577 120.000 120.000 121.406 -1.406 17519
3044 1 6 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.660 -0.215 17519
3045 1 6 . 1 1 48 48 ILE C C 577 171.242 171.242 173.458 -2.216 17519
3046 1 6 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.786 0.594 17519
3047 1 6 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.332 -0.016 17519
3048 1 6 . 1 1 48 48 ILE H H 577 8.041 8.041 9.063 -1.022 17519
3049 1 6 . 1 1 49 49 THR N N 578 122.357 122.357 121.114 1.243 17519
3050 1 6 . 1 1 49 49 THR HA H 578 5.344 5.344 5.610 -0.266 17519
3051 1 6 . 1 1 49 49 THR C C 578 173.601 173.601 174.072 -0.471 17519
3052 1 6 . 1 1 49 49 THR CA C 578 61.849 61.849 60.639 1.210 17519
3053 1 6 . 1 1 49 49 THR CB C 578 70.593 70.593 70.740 -0.147 17519
3054 1 6 . 1 1 49 49 THR H H 578 8.043 8.043 8.326 -0.283 17519
3055 1 6 . 1 1 50 50 VAL N N 579 126.489 126.489 126.348 0.141 17519
3056 1 6 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.112 0.028 17519
3057 1 6 . 1 1 50 50 VAL C C 579 174.015 174.015 174.263 -0.248 17519
3058 1 6 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.090 0.162 17519
3059 1 6 . 1 1 50 50 VAL CB C 579 35.153 35.153 34.875 0.278 17519
3060 1 6 . 1 1 50 50 VAL H H 579 9.349 9.349 8.533 0.816 17519
3061 1 6 . 1 1 51 51 ASP N N 580 126.891 126.891 127.233 -0.342 17519
3062 1 6 . 1 1 51 51 ASP HA H 580 4.867 4.867 4.992 -0.125 17519
3063 1 6 . 1 1 51 51 ASP C C 580 176.752 176.752 175.915 0.837 17519
3064 1 6 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.883 -0.357 17519
3065 1 6 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.332 0.484 17519
3066 1 6 . 1 1 51 51 ASP H H 580 8.616 8.616 8.617 -0.001 17519
3067 1 6 . 1 1 52 52 ILE N N 581 118.893 118.893 117.805 1.088 17519
3068 1 6 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.645 -0.057 17519
3069 1 6 . 1 1 52 52 ILE C C 581 176.717 176.717 176.487 0.230 17519
3070 1 6 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.578 0.523 17519
3071 1 6 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.612 -0.557 17519
3072 1 6 . 1 1 52 52 ILE H H 581 8.627 8.627 8.152 0.475 17519
3073 1 6 . 1 1 53 53 GLY N N 582 114.728 114.728 111.126 3.602 17519
3074 1 6 . 1 1 53 53 GLY C C 582 174.442 174.442 175.191 -0.749 17519
3075 1 6 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.040 0.565 17519
3076 1 6 . 1 1 53 53 GLY H H 582 9.075 9.075 8.816 0.259 17519
3077 1 6 . 1 1 54 54 SER N N 583 120.404 120.404 115.020 5.384 17519
3078 1 6 . 1 1 54 54 SER HA H 583 4.549 4.549 4.541 0.008 17519
3079 1 6 . 1 1 54 54 SER C C 583 175.149 175.149 172.568 2.581 17519
3080 1 6 . 1 1 54 54 SER CA C 583 58.133 58.133 57.783 0.350 17519
3081 1 6 . 1 1 54 54 SER CB C 583 63.647 63.647 63.657 -0.010 17519
3082 1 6 . 1 1 54 54 SER H H 583 8.812 8.812 7.727 1.085 17519
3083 1 6 . 1 1 55 55 ALA N N 584 125.527 125.527 122.226 3.301 17519
3084 1 6 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.830 -0.413 17519
3085 1 6 . 1 1 55 55 ALA C C 584 175.867 175.867 175.276 0.591 17519
3086 1 6 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.803 0.563 17519
3087 1 6 . 1 1 55 55 ALA CB C 584 20.064 20.064 21.137 -1.073 17519
3088 1 6 . 1 1 55 55 ALA H H 584 7.820 7.820 7.798 0.022 17519
3089 1 6 . 1 1 56 56 SER N N 585 109.786 109.786 113.779 -3.993 17519
3090 1 6 . 1 1 56 56 SER HA H 585 4.564 4.564 4.568 -0.004 17519
3091 1 6 . 1 1 56 56 SER C C 585 173.978 173.978 173.651 0.327 17519
3092 1 6 . 1 1 56 56 SER CA C 585 58.220 58.220 58.488 -0.268 17519
3093 1 6 . 1 1 56 56 SER CB C 585 64.962 64.962 64.472 0.490 17519
3094 1 6 . 1 1 56 56 SER H H 585 8.785 8.785 8.552 0.233 17519
3095 1 6 . 1 1 57 57 GLN N N 586 116.690 116.690 119.379 -2.689 17519
3096 1 6 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.767 0.381 17519
3097 1 6 . 1 1 57 57 GLN C C 586 172.923 172.923 173.145 -0.222 17519
3098 1 6 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.343 -1.347 17519
3099 1 6 . 1 1 57 57 GLN CB C 586 34.540 34.540 33.017 1.523 17519
3100 1 6 . 1 1 57 57 GLN H H 586 7.144 7.144 7.611 -0.467 17519
3101 1 6 . 1 1 58 58 LEU N N 587 123.011 123.011 123.700 -0.689 17519
3102 1 6 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.026 -0.358 17519
3103 1 6 . 1 1 58 58 LEU C C 587 173.426 173.426 174.501 -1.075 17519
3104 1 6 . 1 1 58 58 LEU CA C 587 53.378 53.378 54.228 -0.850 17519
3105 1 6 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.191 1.467 17519
3106 1 6 . 1 1 58 58 LEU H H 587 9.226 9.226 9.168 0.058 17519
3107 1 6 . 1 1 59 59 GLU N N 588 129.185 129.185 125.349 3.836 17519
3108 1 6 . 1 1 59 59 GLU HA H 588 5.309 5.309 4.879 0.430 17519
3109 1 6 . 1 1 59 59 GLU C C 588 175.409 175.409 174.699 0.710 17519
3110 1 6 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.156 0.494 17519
3111 1 6 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.450 0.599 17519
3112 1 6 . 1 1 59 59 GLU H H 588 8.830 8.830 8.786 0.044 17519
3113 1 6 . 1 1 60 60 ALA N N 589 126.011 126.011 124.680 1.331 17519
3114 1 6 . 1 1 60 60 ALA HA H 589 5.903 5.903 4.966 0.937 17519
3115 1 6 . 1 1 60 60 ALA C C 589 174.861 174.861 175.559 -0.698 17519
3116 1 6 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.131 0.016 17519
3117 1 6 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.438 2.419 17519
3118 1 6 . 1 1 60 60 ALA H H 589 9.748 9.748 8.478 1.270 17519
3119 1 6 . 1 1 61 61 ALA N N 590 120.783 120.783 124.795 -4.012 17519
3120 1 6 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.092 -0.275 17519
3121 1 6 . 1 1 61 61 ALA C C 590 174.731 174.731 175.252 -0.521 17519
3122 1 6 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.461 0.667 17519
3123 1 6 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.497 0.603 17519
3124 1 6 . 1 1 61 61 ALA H H 590 9.392 9.392 8.893 0.499 17519
3125 1 6 . 1 1 62 62 PHE N N 591 116.572 116.572 117.954 -1.382 17519
3126 1 6 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.821 1.186 17519
3127 1 6 . 1 1 62 62 PHE C C 591 175.059 175.059 174.219 0.840 17519
3128 1 6 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.633 -0.177 17519
3129 1 6 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.508 0.815 17519
3130 1 6 . 1 1 62 62 PHE H H 591 8.394 8.394 8.963 -0.569 17519
3131 1 6 . 1 1 63 63 ASN N N 592 116.166 116.166 120.571 -4.405 17519
3132 1 6 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.429 -0.265 17519
3133 1 6 . 1 1 63 63 ASN C C 592 172.073 172.073 175.273 -3.200 17519
3134 1 6 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.419 2.308 17519
3135 1 6 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.861 0.371 17519
3136 1 6 . 1 1 63 63 ASN H H 592 9.117 9.117 8.540 0.577 17519
3137 1 6 . 1 1 64 64 ASP N N 593 118.039 118.039 121.398 -3.359 17519
3138 1 6 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.034 0.185 17519
3139 1 6 . 1 1 64 64 ASP C C 593 177.248 177.248 177.432 -0.184 17519
3140 1 6 . 1 1 64 64 ASP CA C 593 52.251 52.251 56.368 -4.117 17519
3141 1 6 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.813 -0.091 17519
3142 1 6 . 1 1 64 64 ASP H H 593 7.558 7.558 8.316 -0.758 17519
3143 1 6 . 1 1 65 65 GLY N N 594 110.622 110.622 103.834 6.788 17519
3144 1 6 . 1 1 65 65 GLY C C 594 173.126 173.126 173.203 -0.077 17519
3145 1 6 . 1 1 65 65 GLY CA C 594 45.529 45.529 44.647 0.882 17519
3146 1 6 . 1 1 65 65 GLY H H 594 8.742 8.742 7.770 0.972 17519
3147 1 6 . 1 1 66 66 ASN N N 595 120.863 120.863 117.520 3.343 17519
3148 1 6 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.589 0.168 17519
3149 1 6 . 1 1 66 66 ASN C C 595 174.434 174.434 174.106 0.328 17519
3150 1 6 . 1 1 66 66 ASN CA C 595 52.167 52.167 53.777 -1.610 17519
3151 1 6 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.408 0.980 17519
3152 1 6 . 1 1 66 66 ASN H H 595 8.424 8.424 7.639 0.785 17519
3153 1 6 . 1 1 67 67 ASN N N 596 113.308 113.308 118.734 -5.426 17519
3154 1 6 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.694 -0.464 17519
3155 1 6 . 1 1 67 67 ASN C C 596 173.796 173.796 173.994 -0.198 17519
3156 1 6 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.096 0.329 17519
3157 1 6 . 1 1 67 67 ASN CB C 596 38.153 38.153 38.959 -0.806 17519
3158 1 6 . 1 1 67 67 ASN H H 596 8.744 8.744 8.908 -0.164 17519
3159 1 6 . 1 1 68 68 ASN N N 597 118.418 118.418 119.172 -0.754 17519
3160 1 6 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.076 0.042 17519
3161 1 6 . 1 1 68 68 ASN C C 597 173.474 173.474 173.391 0.083 17519
3162 1 6 . 1 1 68 68 ASN CA C 597 53.138 53.138 53.084 0.054 17519
3163 1 6 . 1 1 68 68 ASN CB C 597 38.622 38.622 39.607 -0.985 17519
3164 1 6 . 1 1 68 68 ASN H H 597 8.032 8.032 8.345 -0.312 17519
3165 1 6 . 1 1 69 69 TRP N N 598 120.990 120.990 122.781 -1.791 17519
3166 1 6 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.123 -0.267 17519
3167 1 6 . 1 1 69 69 TRP C C 598 176.220 176.220 176.421 -0.201 17519
3168 1 6 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.266 0.967 17519
3169 1 6 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.634 1.585 17519
3170 1 6 . 1 1 69 69 TRP H H 598 8.842 8.842 8.588 0.254 17519
3171 1 6 . 1 1 70 70 ASP N N 599 122.210 122.210 122.823 -0.613 17519
3172 1 6 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.975 0.272 17519
3173 1 6 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.092 0.154 17519
3174 1 6 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.625 0.273 17519
3175 1 6 . 1 1 70 70 ASP H H 599 9.831 9.831 8.909 0.922 17519
3176 1 6 . 1 1 71 71 SER N N 600 117.252 117.252 115.213 2.039 17519
3177 1 6 . 1 1 71 71 SER HA H 600 5.141 5.141 4.575 0.566 17519
3178 1 6 . 1 1 71 71 SER CA C 600 55.907 55.907 57.574 -1.667 17519
3179 1 6 . 1 1 71 71 SER H H 600 9.328 9.328 8.272 1.056 17519
3180 1 6 . 1 1 72 72 ASN N N 601 123.197 123.197 120.134 3.063 17519
3181 1 6 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.400 0.029 17519
3182 1 6 . 1 1 72 72 ASN C C 601 176.895 176.895 175.219 1.676 17519
3183 1 6 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.619 -1.526 17519
3184 1 6 . 1 1 72 72 ASN CB C 601 39.150 39.150 37.853 1.297 17519
3185 1 6 . 1 1 72 72 ASN H H 601 8.715 8.715 8.526 0.189 17519
3186 1 6 . 1 1 73 73 ASN N N 602 116.099 116.099 112.981 3.118 17519
3187 1 6 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.437 0.007 17519
3188 1 6 . 1 1 73 73 ASN C C 602 176.304 176.304 174.556 1.748 17519
3189 1 6 . 1 1 73 73 ASN CA C 602 54.465 54.465 55.747 -1.282 17519
3190 1 6 . 1 1 73 73 ASN CB C 602 37.277 37.277 37.911 -0.634 17519
3191 1 6 . 1 1 73 73 ASN H H 602 9.184 9.184 8.843 0.341 17519
3192 1 6 . 1 1 74 74 THR N N 603 110.445 110.445 115.709 -5.264 17519
3193 1 6 . 1 1 74 74 THR HA H 603 3.835 3.835 4.416 -0.581 17519
3194 1 6 . 1 1 74 74 THR C C 603 173.186 173.186 173.267 -0.081 17519
3195 1 6 . 1 1 74 74 THR CA C 603 65.006 65.006 61.536 3.470 17519
3196 1 6 . 1 1 74 74 THR CB C 603 69.653 69.653 71.474 -1.821 17519
3197 1 6 . 1 1 74 74 THR H H 603 7.829 7.829 8.068 -0.239 17519
3198 1 6 . 1 1 75 75 LYS N N 604 121.909 121.909 121.719 0.190 17519
3199 1 6 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.001 0.136 17519
3200 1 6 . 1 1 75 75 LYS C C 604 177.262 177.262 175.154 2.108 17519
3201 1 6 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.941 0.826 17519
3202 1 6 . 1 1 75 75 LYS CB C 604 32.376 32.376 31.400 0.976 17519
3203 1 6 . 1 1 75 75 LYS H H 604 7.714 7.714 8.498 -0.784 17519
3204 1 6 . 1 1 76 76 ASN N N 605 108.823 108.823 116.862 -8.039 17519
3205 1 6 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.393 -0.453 17519
3206 1 6 . 1 1 76 76 ASN C C 605 171.742 171.742 175.076 -3.334 17519
3207 1 6 . 1 1 76 76 ASN CA C 605 54.159 54.159 53.787 0.372 17519
3208 1 6 . 1 1 76 76 ASN CB C 605 39.027 39.027 39.009 0.018 17519
3209 1 6 . 1 1 76 76 ASN H H 605 8.274 8.274 8.077 0.197 17519
3210 1 6 . 1 1 77 77 TYR N N 606 117.628 117.628 116.694 0.934 17519
3211 1 6 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.522 0.305 17519
3212 1 6 . 1 1 77 77 TYR C C 606 174.468 174.468 174.114 0.354 17519
3213 1 6 . 1 1 77 77 TYR CA C 606 57.569 57.569 56.976 0.593 17519
3214 1 6 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.676 0.879 17519
3215 1 6 . 1 1 77 77 TYR H H 606 9.055 9.055 8.418 0.637 17519
3216 1 6 . 1 1 78 78 LEU N N 607 121.811 121.811 118.515 3.296 17519
3217 1 6 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.360 0.943 17519
3218 1 6 . 1 1 78 78 LEU C C 607 175.673 175.673 174.614 1.059 17519
3219 1 6 . 1 1 78 78 LEU CA C 607 53.244 53.244 53.856 -0.612 17519
3220 1 6 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.224 1.747 17519
3221 1 6 . 1 1 78 78 LEU H H 607 7.983 7.983 8.096 -0.113 17519
3222 1 6 . 1 1 79 79 PHE N N 608 121.390 121.390 121.777 -0.387 17519
3223 1 6 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.892 -0.065 17519
3224 1 6 . 1 1 79 79 PHE C C 608 175.786 175.786 174.905 0.881 17519
3225 1 6 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.611 0.240 17519
3226 1 6 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.308 0.255 17519
3227 1 6 . 1 1 79 79 PHE H H 608 9.240 9.240 8.476 0.764 17519
3228 1 6 . 1 1 80 80 SER N N 609 117.589 117.589 116.038 1.551 17519
3229 1 6 . 1 1 80 80 SER HA H 609 4.979 4.979 4.761 0.218 17519
3230 1 6 . 1 1 80 80 SER C C 609 173.269 173.269 174.058 -0.789 17519
3231 1 6 . 1 1 80 80 SER CA C 609 57.811 57.811 55.764 2.047 17519
3232 1 6 . 1 1 80 80 SER CB C 609 64.856 64.856 64.924 -0.068 17519
3233 1 6 . 1 1 80 80 SER H H 609 8.948 8.948 8.625 0.323 17519
3234 1 6 . 1 1 81 81 THR N N 610 112.845 112.845 114.518 -1.673 17519
3235 1 6 . 1 1 81 81 THR HA H 610 3.871 3.871 4.041 -0.170 17519
3236 1 6 . 1 1 81 81 THR C C 610 174.439 174.439 175.294 -0.855 17519
3237 1 6 . 1 1 81 81 THR CA C 610 64.353 64.353 63.614 0.739 17519
3238 1 6 . 1 1 81 81 THR CB C 610 69.421 69.421 69.193 0.228 17519
3239 1 6 . 1 1 82 82 GLY N N 611 112.157 112.157 111.644 0.513 17519
3240 1 6 . 1 1 82 82 GLY C C 611 174.430 174.430 172.576 1.854 17519
3241 1 6 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.719 -0.853 17519
3242 1 6 . 1 1 82 82 GLY H H 611 8.468 8.468 8.008 0.460 17519
3243 1 6 . 1 1 83 83 THR N N 612 120.992 120.992 120.148 0.844 17519
3244 1 6 . 1 1 83 83 THR HA H 612 5.483 5.483 4.997 0.486 17519
3245 1 6 . 1 1 83 83 THR C C 612 174.819 174.819 173.817 1.002 17519
3246 1 6 . 1 1 83 83 THR CA C 612 62.563 62.563 61.716 0.847 17519
3247 1 6 . 1 1 83 83 THR CB C 612 70.093 70.093 71.032 -0.939 17519
3248 1 6 . 1 1 83 83 THR H H 612 8.736 8.736 8.248 0.488 17519
3249 1 6 . 1 1 84 84 SER N N 613 122.602 122.602 121.628 0.974 17519
3250 1 6 . 1 1 84 84 SER HA H 613 5.489 5.489 4.954 0.535 17519
3251 1 6 . 1 1 84 84 SER C C 613 172.064 172.064 172.945 -0.881 17519
3252 1 6 . 1 1 84 84 SER CA C 613 58.813 58.813 57.586 1.227 17519
3253 1 6 . 1 1 84 84 SER CB C 613 67.694 67.694 67.127 0.567 17519
3254 1 6 . 1 1 84 84 SER H H 613 9.051 9.051 9.105 -0.054 17519
3255 1 6 . 1 1 85 85 THR N N 614 117.759 117.759 118.559 -0.800 17519
3256 1 6 . 1 1 85 85 THR HA H 614 5.256 5.256 5.121 0.135 17519
3257 1 6 . 1 1 85 85 THR C C 614 173.632 173.632 173.032 0.600 17519
3258 1 6 . 1 1 85 85 THR CA C 614 62.724 62.724 61.966 0.758 17519
3259 1 6 . 1 1 85 85 THR CB C 614 70.908 70.908 70.575 0.333 17519
3260 1 6 . 1 1 85 85 THR H H 614 9.523 9.523 8.718 0.805 17519
3261 1 6 . 1 1 86 86 TYR N N 615 131.519 131.519 130.068 1.451 17519
3262 1 6 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.684 0.529 17519
3263 1 6 . 1 1 86 86 TYR C C 615 172.999 172.999 173.905 -0.906 17519
3264 1 6 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.724 0.439 17519
3265 1 6 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.411 1.158 17519
3266 1 6 . 1 1 86 86 TYR H H 615 10.029 10.029 9.461 0.568 17519
3267 1 6 . 1 1 87 87 THR N N 616 124.674 124.674 124.655 0.019 17519
3268 1 6 . 1 1 87 87 THR HA H 616 4.370 4.370 4.602 -0.232 17519
3269 1 6 . 1 1 87 87 THR CA C 616 58.725 58.725 59.670 -0.945 17519
3270 1 6 . 1 1 87 87 THR CB C 616 70.070 70.070 69.406 0.664 17519
3271 1 6 . 1 1 87 87 THR H H 616 8.027 8.027 8.790 -0.763 17519
3272 1 6 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.264 -0.172 17519
3273 1 6 . 1 1 88 88 PRO C C 617 177.011 177.011 176.056 0.955 17519
3274 1 6 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.151 0.736 17519
3275 1 6 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.543 -0.219 17519
3276 1 6 . 1 1 89 89 GLY N N 618 108.881 108.881 108.055 0.826 17519
3277 1 6 . 1 1 89 89 GLY C C 618 173.673 173.673 173.453 0.220 17519
3278 1 6 . 1 1 89 89 GLY CA C 618 43.996 43.996 43.664 0.332 17519
3279 1 6 . 1 1 89 89 GLY H H 618 8.261 8.261 8.048 0.213 17519
3280 1 6 . 1 1 90 90 SER N N 619 114.743 114.743 114.963 -0.220 17519
3281 1 6 . 1 1 90 90 SER HA H 619 4.537 4.537 4.525 0.012 17519
3282 1 6 . 1 1 90 90 SER C C 619 175.706 175.706 174.317 1.389 17519
3283 1 6 . 1 1 90 90 SER CA C 619 57.617 57.617 57.590 0.027 17519
3284 1 6 . 1 1 90 90 SER CB C 619 64.294 64.294 64.256 0.038 17519
3285 1 6 . 1 1 90 90 SER H H 619 8.380 8.380 8.297 0.083 17519
3286 1 6 . 1 1 91 91 ASN N N 620 121.360 121.360 122.860 -1.500 17519
3287 1 6 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.591 -0.179 17519
3288 1 6 . 1 1 91 91 ASN C C 620 175.289 175.289 175.041 0.248 17519
3289 1 6 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.505 0.848 17519
3290 1 6 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.144 -0.411 17519
3291 1 6 . 1 1 91 91 ASN H H 620 9.296 9.296 8.676 0.620 17519
3292 1 6 . 1 1 92 92 GLY N N 621 105.883 105.883 104.620 1.263 17519
3293 1 6 . 1 1 92 92 GLY C C 621 174.510 174.510 173.354 1.156 17519
3294 1 6 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.821 -0.592 17519
3295 1 6 . 1 1 92 92 GLY H H 621 8.528 8.528 8.486 0.042 17519
3296 1 6 . 1 1 93 93 ALA N N 622 123.803 123.803 121.766 2.037 17519
3297 1 6 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.510 -0.094 17519
3298 1 6 . 1 1 93 93 ALA C C 622 176.820 176.820 176.233 0.587 17519
3299 1 6 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.716 1.135 17519
3300 1 6 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.235 -0.431 17519
3301 1 6 . 1 1 93 93 ALA H H 622 7.486 7.486 7.901 -0.415 17519
3302 1 6 . 1 1 94 94 ALA N N 623 123.284 123.284 127.173 -3.889 17519
3303 1 6 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.226 0.364 17519
3304 1 6 . 1 1 94 94 ALA C C 623 178.770 178.770 178.121 0.649 17519
3305 1 6 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.898 -0.271 17519
3306 1 6 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.668 0.419 17519
3307 1 6 . 1 1 94 94 ALA H H 623 8.397 8.397 8.495 -0.098 17519
3308 1 6 . 1 1 95 95 GLY N N 624 108.970 108.970 107.788 1.182 17519
3309 1 6 . 1 1 95 95 GLY C C 624 173.156 173.156 173.744 -0.588 17519
3310 1 6 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.462 0.395 17519
3311 1 6 . 1 1 95 95 GLY H H 624 8.438 8.438 8.542 -0.104 17519
3312 1 6 . 1 1 96 96 THR N N 625 108.929 108.929 111.115 -2.186 17519
3313 1 6 . 1 1 96 96 THR HA H 625 4.603 4.603 4.490 0.113 17519
3314 1 6 . 1 1 96 96 THR C C 625 172.765 172.765 172.436 0.329 17519
3315 1 6 . 1 1 96 96 THR CA C 625 60.350 60.350 60.762 -0.412 17519
3316 1 6 . 1 1 96 96 THR CB C 625 72.295 72.295 71.236 1.059 17519
3317 1 6 . 1 1 96 96 THR H H 625 7.833 7.833 8.200 -0.367 17519
3318 1 6 . 1 1 97 97 ILE N N 626 123.623 123.623 119.585 4.038 17519
3319 1 6 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.224 -0.407 17519
3320 1 6 . 1 1 97 97 ILE C C 626 175.596 175.596 175.292 0.304 17519
3321 1 6 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.359 1.690 17519
3322 1 6 . 1 1 97 97 ILE CB C 626 41.178 41.178 40.160 1.018 17519
3323 1 6 . 1 1 97 97 ILE H H 626 8.594 8.594 8.245 0.349 17519
3324 1 6 . 1 1 98 98 ARG N N 627 127.431 127.431 126.558 0.873 17519
3325 1 6 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.683 0.252 17519
3326 1 6 . 1 1 98 98 ARG C C 627 175.183 175.183 175.279 -0.096 17519
3327 1 6 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.076 -0.308 17519
3328 1 6 . 1 1 98 98 ARG CB C 627 33.776 33.776 33.134 0.642 17519
3329 1 6 . 1 1 98 98 ARG H H 627 8.979 8.979 9.033 -0.054 17519
3330 1 6 . 1 1 99 99 THR N N 628 118.452 118.452 119.762 -1.310 17519
3331 1 6 . 1 1 99 99 THR HA H 628 4.410 4.410 4.428 -0.018 17519
3332 1 6 . 1 1 99 99 THR C C 628 174.845 174.845 174.887 -0.042 17519
3333 1 6 . 1 1 99 99 THR CA C 628 63.962 63.962 62.272 1.690 17519
3334 1 6 . 1 1 99 99 THR CB C 628 69.488 69.488 69.224 0.264 17519
3335 1 6 . 1 1 99 99 THR H H 628 8.697 8.697 8.463 0.234 17519
3336 1 6 . 1 1 100 100 GLY N N 629 114.137 114.137 109.421 4.716 17519
3337 1 6 . 1 1 100 100 GLY C C 629 171.903 171.903 173.195 -1.292 17519
3338 1 6 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.298 -0.551 17519
3339 1 6 . 1 1 100 100 GLY H H 629 8.626 8.626 8.038 0.588 17519
3340 1 6 . 1 1 101 101 ALA N N 630 120.627 120.627 126.176 -5.549 17519
3341 1 6 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.119 -0.427 17519
3342 1 6 . 1 1 101 101 ALA CA C 630 49.428 49.428 51.144 -1.716 17519
3343 1 6 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.637 -0.566 17519
3344 1 6 . 1 1 101 101 ALA H H 630 7.980 7.980 8.303 -0.323 17519
3345 1 6 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.532 -0.407 17519
3346 1 6 . 1 1 102 102 PRO C C 631 175.721 175.721 176.243 -0.522 17519
3347 1 6 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.519 0.421 17519
3348 1 6 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.640 -0.895 17519
3349 1 6 . 1 1 103 103 SER N N 632 113.689 113.689 115.353 -1.664 17519
3350 1 6 . 1 1 103 103 SER HA H 632 4.295 4.295 4.438 -0.143 17519
3351 1 6 . 1 1 103 103 SER C C 632 173.816 173.816 173.596 0.220 17519
3352 1 6 . 1 1 103 103 SER CA C 632 57.689 57.689 58.440 -0.751 17519
3353 1 6 . 1 1 103 103 SER CB C 632 64.133 64.133 63.560 0.573 17519
3354 1 6 . 1 1 103 103 SER H H 632 7.969 7.969 8.157 -0.188 17519
3355 1 7 . 1 1 2 2 GLY C C 531 174.309 174.309 173.736 0.573 17519
3356 1 7 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.768 0.408 17519
3357 1 7 . 1 1 3 3 THR N N 532 113.802 113.802 114.083 -0.281 17519
3358 1 7 . 1 1 3 3 THR HA H 532 4.429 4.429 3.941 0.488 17519
3359 1 7 . 1 1 3 3 THR C C 532 174.430 174.430 173.625 0.805 17519
3360 1 7 . 1 1 3 3 THR CA C 532 61.577 61.577 63.412 -1.835 17519
3361 1 7 . 1 1 3 3 THR CB C 532 69.849 69.849 69.282 0.567 17519
3362 1 7 . 1 1 3 3 THR H H 532 8.140 8.140 8.019 0.121 17519
3363 1 7 . 1 1 4 4 THR N N 533 115.407 115.407 115.384 0.023 17519
3364 1 7 . 1 1 4 4 THR HA H 533 4.350 4.350 4.499 -0.149 17519
3365 1 7 . 1 1 4 4 THR C C 533 173.831 173.831 172.628 1.203 17519
3366 1 7 . 1 1 4 4 THR CA C 533 60.266 60.266 62.389 -2.123 17519
3367 1 7 . 1 1 4 4 THR CB C 533 69.788 69.788 69.629 0.159 17519
3368 1 7 . 1 1 4 4 THR H H 533 8.019 8.019 8.397 -0.378 17519
3369 1 7 . 1 1 5 5 ASN N N 534 121.822 121.822 123.529 -1.707 17519
3370 1 7 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.236 -0.400 17519
3371 1 7 . 1 1 5 5 ASN C C 534 174.057 174.057 173.960 0.097 17519
3372 1 7 . 1 1 5 5 ASN CA C 534 52.686 52.686 51.574 1.112 17519
3373 1 7 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.656 -1.500 17519
3374 1 7 . 1 1 5 5 ASN H H 534 8.863 8.863 8.531 0.332 17519
3375 1 7 . 1 1 6 6 LYS N N 535 119.369 119.369 117.079 2.290 17519
3376 1 7 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.936 0.249 17519
3377 1 7 . 1 1 6 6 LYS C C 535 175.924 175.924 174.903 1.021 17519
3378 1 7 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.067 -0.536 17519
3379 1 7 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.250 -0.234 17519
3380 1 7 . 1 1 6 6 LYS H H 535 8.347 8.347 8.187 0.160 17519
3381 1 7 . 1 1 7 7 VAL N N 536 123.112 123.112 118.745 4.367 17519
3382 1 7 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.544 0.029 17519
3383 1 7 . 1 1 7 7 VAL C C 536 174.602 174.602 174.995 -0.393 17519
3384 1 7 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.376 0.769 17519
3385 1 7 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.507 2.266 17519
3386 1 7 . 1 1 7 7 VAL H H 536 8.828 8.828 9.074 -0.246 17519
3387 1 7 . 1 1 8 8 THR N N 537 125.255 125.255 125.283 -0.028 17519
3388 1 7 . 1 1 8 8 THR HA H 537 5.396 5.396 5.354 0.042 17519
3389 1 7 . 1 1 8 8 THR C C 537 173.129 173.129 173.957 -0.828 17519
3390 1 7 . 1 1 8 8 THR CA C 537 61.611 61.611 61.661 -0.050 17519
3391 1 7 . 1 1 8 8 THR CB C 537 70.113 70.113 69.775 0.338 17519
3392 1 7 . 1 1 8 8 THR H H 537 8.914 8.914 8.344 0.570 17519
3393 1 7 . 1 1 9 9 VAL N N 538 126.696 126.696 126.334 0.362 17519
3394 1 7 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.960 -0.426 17519
3395 1 7 . 1 1 9 9 VAL C C 538 175.565 175.565 174.339 1.226 17519
3396 1 7 . 1 1 9 9 VAL CA C 538 60.879 60.879 61.084 -0.205 17519
3397 1 7 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.931 0.248 17519
3398 1 7 . 1 1 9 9 VAL H H 538 8.585 8.585 8.843 -0.258 17519
3399 1 7 . 1 1 10 10 TYR N N 539 124.488 124.488 126.666 -2.178 17519
3400 1 7 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.332 -0.074 17519
3401 1 7 . 1 1 10 10 TYR C C 539 174.309 174.309 174.613 -0.304 17519
3402 1 7 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.548 0.718 17519
3403 1 7 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.191 -0.782 17519
3404 1 7 . 1 1 10 10 TYR H H 539 9.111 9.111 9.373 -0.262 17519
3405 1 7 . 1 1 11 11 TYR N N 540 125.848 125.848 124.779 1.069 17519
3406 1 7 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.257 -0.231 17519
3407 1 7 . 1 1 11 11 TYR C C 540 173.346 173.346 173.656 -0.310 17519
3408 1 7 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.390 2.212 17519
3409 1 7 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.264 0.694 17519
3410 1 7 . 1 1 11 11 TYR H H 540 9.580 9.580 9.022 0.558 17519
3411 1 7 . 1 1 12 12 LYS N N 541 131.489 131.489 127.521 3.968 17519
3412 1 7 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.443 0.009 17519
3413 1 7 . 1 1 12 12 LYS C C 541 172.904 172.904 174.311 -1.407 17519
3414 1 7 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.431 1.284 17519
3415 1 7 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.938 0.159 17519
3416 1 7 . 1 1 12 12 LYS H H 541 8.406 8.406 7.731 0.675 17519
3417 1 7 . 1 1 13 13 LYS N N 542 125.132 125.132 126.570 -1.438 17519
3418 1 7 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.728 0.210 17519
3419 1 7 . 1 1 13 13 LYS C C 542 180.078 180.078 175.906 4.172 17519
3420 1 7 . 1 1 13 13 LYS CA C 542 52.436 52.436 55.910 -3.474 17519
3421 1 7 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.804 -1.200 17519
3422 1 7 . 1 1 13 13 LYS H H 542 7.515 7.515 7.496 0.019 17519
3423 1 7 . 1 1 14 14 GLY N N 543 112.724 112.724 112.882 -0.158 17519
3424 1 7 . 1 1 14 14 GLY C C 543 174.151 174.151 172.821 1.330 17519
3425 1 7 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.441 1.849 17519
3426 1 7 . 1 1 14 14 GLY H H 543 7.629 7.629 8.081 -0.452 17519
3427 1 7 . 1 1 15 15 PHE N N 544 121.583 121.583 120.177 1.406 17519
3428 1 7 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.927 -0.205 17519
3429 1 7 . 1 1 15 15 PHE C C 544 175.876 175.876 175.359 0.517 17519
3430 1 7 . 1 1 15 15 PHE CA C 544 57.110 57.110 56.865 0.245 17519
3431 1 7 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.688 -2.297 17519
3432 1 7 . 1 1 15 15 PHE H H 544 8.557 8.557 8.770 -0.213 17519
3433 1 7 . 1 1 16 16 ASN N N 545 117.559 117.559 116.723 0.836 17519
3434 1 7 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.758 -0.294 17519
3435 1 7 . 1 1 16 16 ASN C C 545 176.289 176.289 175.367 0.922 17519
3436 1 7 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.893 2.527 17519
3437 1 7 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.661 -0.398 17519
3438 1 7 . 1 1 16 16 ASN H H 545 8.561 8.561 8.514 0.047 17519
3439 1 7 . 1 1 17 17 SER N N 546 112.901 112.901 115.984 -3.083 17519
3440 1 7 . 1 1 17 17 SER HA H 546 4.862 4.862 4.866 -0.004 17519
3441 1 7 . 1 1 17 17 SER CA C 546 53.586 53.586 56.029 -2.443 17519
3442 1 7 . 1 1 17 17 SER CB C 546 63.708 63.708 64.141 -0.433 17519
3443 1 7 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.506 0.087 17519
3444 1 7 . 1 1 18 18 PRO C C 547 175.806 175.806 175.357 0.449 17519
3445 1 7 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.419 0.102 17519
3446 1 7 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.606 0.057 17519
3447 1 7 . 1 1 19 19 TYR N N 548 122.230 122.230 120.589 1.641 17519
3448 1 7 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.641 0.236 17519
3449 1 7 . 1 1 19 19 TYR C C 548 174.660 174.660 174.244 0.416 17519
3450 1 7 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.623 -0.963 17519
3451 1 7 . 1 1 19 19 TYR CB C 548 40.462 40.462 43.314 -2.852 17519
3452 1 7 . 1 1 19 19 TYR H H 548 9.141 9.141 8.180 0.961 17519
3453 1 7 . 1 1 20 20 ILE N N 549 118.425 118.425 120.073 -1.648 17519
3454 1 7 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.783 0.289 17519
3455 1 7 . 1 1 20 20 ILE C C 549 171.422 171.422 173.737 -2.315 17519
3456 1 7 . 1 1 20 20 ILE CA C 549 58.429 58.429 59.719 -1.290 17519
3457 1 7 . 1 1 20 20 ILE CB C 549 41.756 41.756 42.071 -0.314 17519
3458 1 7 . 1 1 21 21 HIS N N 550 133.248 133.248 125.199 8.049 17519
3459 1 7 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.679 0.684 17519
3460 1 7 . 1 1 21 21 HIS C C 550 174.988 174.988 173.159 1.829 17519
3461 1 7 . 1 1 21 21 HIS CA C 550 53.915 53.915 53.771 0.144 17519
3462 1 7 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.243 2.531 17519
3463 1 7 . 1 1 21 21 HIS H H 550 8.956 8.956 8.604 0.352 17519
3464 1 7 . 1 1 22 22 TYR N N 551 121.831 121.831 122.625 -0.794 17519
3465 1 7 . 1 1 22 22 TYR HA H 551 6.183 6.183 4.851 1.332 17519
3466 1 7 . 1 1 22 22 TYR C C 551 173.934 173.934 173.387 0.547 17519
3467 1 7 . 1 1 22 22 TYR CA C 551 56.668 56.668 55.376 1.292 17519
3468 1 7 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.390 1.328 17519
3469 1 7 . 1 1 22 22 TYR H H 551 8.204 8.204 8.166 0.038 17519
3470 1 7 . 1 1 23 23 ARG N N 552 115.619 115.619 120.681 -5.062 17519
3471 1 7 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.710 0.052 17519
3472 1 7 . 1 1 23 23 ARG CA C 552 52.480 52.480 51.758 0.722 17519
3473 1 7 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.038 -1.000 17519
3474 1 7 . 1 1 23 23 ARG H H 552 8.674 8.674 8.704 -0.030 17519
3475 1 7 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.612 -0.056 17519
3476 1 7 . 1 1 24 24 PRO C C 553 176.736 176.736 177.402 -0.666 17519
3477 1 7 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.307 0.045 17519
3478 1 7 . 1 1 24 24 PRO CB C 553 31.880 31.880 33.073 -1.193 17519
3479 1 7 . 1 1 25 25 ALA N N 554 125.908 125.908 124.704 1.204 17519
3480 1 7 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.844 0.178 17519
3481 1 7 . 1 1 25 25 ALA C C 554 179.217 179.217 179.173 0.044 17519
3482 1 7 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.924 -0.839 17519
3483 1 7 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.358 -0.126 17519
3484 1 7 . 1 1 25 25 ALA H H 554 8.293 8.293 8.339 -0.046 17519
3485 1 7 . 1 1 26 26 GLY N N 555 111.766 111.766 104.651 7.115 17519
3486 1 7 . 1 1 26 26 GLY C C 555 174.796 174.796 175.630 -0.834 17519
3487 1 7 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.144 0.497 17519
3488 1 7 . 1 1 26 26 GLY H H 555 8.602 8.602 8.066 0.536 17519
3489 1 7 . 1 1 27 27 GLY N N 556 109.512 109.512 108.310 1.202 17519
3490 1 7 . 1 1 27 27 GLY C C 556 173.368 173.368 173.880 -0.512 17519
3491 1 7 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.704 -0.498 17519
3492 1 7 . 1 1 27 27 GLY H H 556 8.494 8.494 8.480 0.014 17519
3493 1 7 . 1 1 28 28 SER N N 557 117.962 117.962 116.021 1.941 17519
3494 1 7 . 1 1 28 28 SER HA H 557 4.690 4.690 4.680 0.010 17519
3495 1 7 . 1 1 28 28 SER C C 557 173.656 173.656 172.866 0.790 17519
3496 1 7 . 1 1 28 28 SER CA C 557 57.492 57.492 57.420 0.071 17519
3497 1 7 . 1 1 28 28 SER CB C 557 64.803 64.803 64.977 -0.174 17519
3498 1 7 . 1 1 28 28 SER H H 557 8.681 8.681 7.385 1.296 17519
3499 1 7 . 1 1 29 29 TRP N N 558 123.928 123.928 124.017 -0.089 17519
3500 1 7 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.866 -0.414 17519
3501 1 7 . 1 1 29 29 TRP C C 558 178.891 178.891 176.899 1.992 17519
3502 1 7 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.278 1.796 17519
3503 1 7 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.497 0.209 17519
3504 1 7 . 1 1 29 29 TRP H H 558 8.392 8.392 8.557 -0.165 17519
3505 1 7 . 1 1 30 30 THR N N 559 111.067 111.067 119.497 -8.430 17519
3506 1 7 . 1 1 30 30 THR HA H 559 4.037 4.037 4.217 -0.180 17519
3507 1 7 . 1 1 30 30 THR C C 559 174.782 174.782 174.606 0.176 17519
3508 1 7 . 1 1 30 30 THR CA C 559 61.321 61.321 64.147 -2.825 17519
3509 1 7 . 1 1 30 30 THR CB C 559 70.561 70.561 70.054 0.507 17519
3510 1 7 . 1 1 30 30 THR H H 559 7.953 7.953 8.497 -0.544 17519
3511 1 7 . 1 1 31 31 ALA N N 560 123.046 123.046 124.496 -1.450 17519
3512 1 7 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.092 0.359 17519
3513 1 7 . 1 1 31 31 ALA C C 560 178.493 178.493 176.474 2.019 17519
3514 1 7 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.574 -0.660 17519
3515 1 7 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.806 -0.807 17519
3516 1 7 . 1 1 31 31 ALA H H 560 8.437 8.437 8.295 0.142 17519
3517 1 7 . 1 1 32 32 ALA N N 561 129.644 129.644 126.778 2.866 17519
3518 1 7 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.921 0.020 17519
3519 1 7 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.948 1.808 17519
3520 1 7 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.701 -2.551 17519
3521 1 7 . 1 1 32 32 ALA H H 561 8.828 8.828 8.117 0.711 17519
3522 1 7 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.333 -0.435 17519
3523 1 7 . 1 1 33 33 PRO C C 562 173.280 173.280 176.875 -3.595 17519
3524 1 7 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.066 1.373 17519
3525 1 7 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.446 0.065 17519
3526 1 7 . 1 1 34 34 GLY N N 563 112.224 112.224 110.703 1.521 17519
3527 1 7 . 1 1 34 34 GLY C C 563 173.977 173.977 174.378 -0.401 17519
3528 1 7 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.448 -2.499 17519
3529 1 7 . 1 1 34 34 GLY H H 563 8.763 8.763 7.600 1.163 17519
3530 1 7 . 1 1 35 35 VAL N N 564 123.427 123.427 118.194 5.233 17519
3531 1 7 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.538 -0.137 17519
3532 1 7 . 1 1 35 35 VAL C C 564 174.734 174.734 174.677 0.057 17519
3533 1 7 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.922 0.966 17519
3534 1 7 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.809 -0.907 17519
3535 1 7 . 1 1 36 36 LYS N N 565 128.212 128.212 124.041 4.171 17519
3536 1 7 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.949 -0.840 17519
3537 1 7 . 1 1 36 36 LYS C C 565 176.437 176.437 176.096 0.341 17519
3538 1 7 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.265 1.922 17519
3539 1 7 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.823 0.591 17519
3540 1 7 . 1 1 36 36 LYS H H 565 8.486 8.486 8.355 0.131 17519
3541 1 7 . 1 1 37 37 MET N N 566 124.964 124.964 123.939 1.025 17519
3542 1 7 . 1 1 37 37 MET HA H 566 4.228 4.228 4.223 0.005 17519
3543 1 7 . 1 1 37 37 MET C C 566 175.652 175.652 176.172 -0.520 17519
3544 1 7 . 1 1 37 37 MET CA C 566 56.485 56.485 57.515 -1.030 17519
3545 1 7 . 1 1 37 37 MET CB C 566 35.011 35.011 32.669 2.342 17519
3546 1 7 . 1 1 37 37 MET H H 566 8.202 8.202 8.625 -0.423 17519
3547 1 7 . 1 1 38 38 GLN N N 567 121.561 121.561 122.010 -0.449 17519
3548 1 7 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.498 -0.061 17519
3549 1 7 . 1 1 38 38 GLN C C 567 175.809 175.809 175.339 0.470 17519
3550 1 7 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.782 0.040 17519
3551 1 7 . 1 1 38 38 GLN CB C 567 30.182 30.182 31.664 -1.482 17519
3552 1 7 . 1 1 38 38 GLN H H 567 8.489 8.489 8.221 0.268 17519
3553 1 7 . 1 1 39 39 ASP N N 568 121.881 121.881 123.833 -1.952 17519
3554 1 7 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.504 0.279 17519
3555 1 7 . 1 1 39 39 ASP C C 568 176.715 176.715 175.953 0.762 17519
3556 1 7 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.324 -0.157 17519
3557 1 7 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.397 -1.158 17519
3558 1 7 . 1 1 39 39 ASP H H 568 8.780 8.780 8.744 0.036 17519
3559 1 7 . 1 1 40 40 ALA N N 569 122.696 122.696 126.715 -4.019 17519
3560 1 7 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.258 0.094 17519
3561 1 7 . 1 1 40 40 ALA C C 569 175.165 175.165 177.322 -2.157 17519
3562 1 7 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.388 -0.895 17519
3563 1 7 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.553 1.182 17519
3564 1 7 . 1 1 40 40 ALA H H 569 8.463 8.463 8.337 0.126 17519
3565 1 7 . 1 1 41 41 GLU N N 570 120.083 120.083 117.783 2.300 17519
3566 1 7 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.474 -0.123 17519
3567 1 7 . 1 1 41 41 GLU C C 570 174.683 174.683 177.152 -2.469 17519
3568 1 7 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.356 1.169 17519
3569 1 7 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.541 -3.310 17519
3570 1 7 . 1 1 41 41 GLU H H 570 10.398 10.398 8.526 1.872 17519
3571 1 7 . 1 1 42 42 ILE N N 571 119.363 119.363 121.082 -1.719 17519
3572 1 7 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.290 0.089 17519
3573 1 7 . 1 1 42 42 ILE C C 571 174.913 174.913 176.493 -1.580 17519
3574 1 7 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.057 -3.237 17519
3575 1 7 . 1 1 42 42 ILE CB C 571 39.586 39.586 37.957 1.629 17519
3576 1 7 . 1 1 42 42 ILE H H 571 6.526 6.526 8.091 -1.565 17519
3577 1 7 . 1 1 43 43 SER N N 572 121.258 121.258 115.081 6.177 17519
3578 1 7 . 1 1 43 43 SER HA H 572 4.352 4.352 4.506 -0.154 17519
3579 1 7 . 1 1 43 43 SER C C 572 175.617 175.617 173.762 1.855 17519
3580 1 7 . 1 1 43 43 SER CA C 572 60.125 60.125 58.373 1.752 17519
3581 1 7 . 1 1 43 43 SER CB C 572 63.063 63.063 63.411 -0.348 17519
3582 1 7 . 1 1 43 43 SER H H 572 8.618 8.618 8.190 0.428 17519
3583 1 7 . 1 1 44 44 GLY N N 573 111.836 111.836 112.306 -0.470 17519
3584 1 7 . 1 1 44 44 GLY C C 573 173.828 173.828 173.171 0.657 17519
3585 1 7 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.103 -0.248 17519
3586 1 7 . 1 1 44 44 GLY H H 573 8.691 8.691 8.767 -0.076 17519
3587 1 7 . 1 1 45 45 TYR N N 574 116.297 116.297 120.519 -4.222 17519
3588 1 7 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.716 1.045 17519
3589 1 7 . 1 1 45 45 TYR C C 574 175.520 175.520 173.993 1.527 17519
3590 1 7 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.090 -0.571 17519
3591 1 7 . 1 1 45 45 TYR CB C 574 41.917 41.917 41.160 0.757 17519
3592 1 7 . 1 1 45 45 TYR H H 574 7.854 7.854 7.474 0.380 17519
3593 1 7 . 1 1 46 46 ALA N N 575 126.117 126.117 122.825 3.292 17519
3594 1 7 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.772 0.635 17519
3595 1 7 . 1 1 46 46 ALA C C 575 176.096 176.096 175.099 0.997 17519
3596 1 7 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.413 -0.041 17519
3597 1 7 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.673 2.693 17519
3598 1 7 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.396 0.314 17519
3599 1 7 . 1 1 47 47 LYS C C 576 173.794 173.794 174.765 -0.971 17519
3600 1 7 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.257 0.133 17519
3601 1 7 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.096 0.845 17519
3602 1 7 . 1 1 48 48 ILE N N 577 120.000 120.000 118.093 1.907 17519
3603 1 7 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.652 -0.207 17519
3604 1 7 . 1 1 48 48 ILE C C 577 171.242 171.242 173.261 -2.019 17519
3605 1 7 . 1 1 48 48 ILE CA C 577 60.380 60.380 60.267 0.112 17519
3606 1 7 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.114 0.202 17519
3607 1 7 . 1 1 48 48 ILE H H 577 8.041 8.041 8.867 -0.826 17519
3608 1 7 . 1 1 49 49 THR N N 578 122.357 122.357 120.657 1.700 17519
3609 1 7 . 1 1 49 49 THR HA H 578 5.344 5.344 5.431 -0.087 17519
3610 1 7 . 1 1 49 49 THR C C 578 173.601 173.601 173.887 -0.286 17519
3611 1 7 . 1 1 49 49 THR CA C 578 61.849 61.849 60.836 1.013 17519
3612 1 7 . 1 1 49 49 THR CB C 578 70.593 70.593 70.697 -0.104 17519
3613 1 7 . 1 1 49 49 THR H H 578 8.043 8.043 8.189 -0.146 17519
3614 1 7 . 1 1 50 50 VAL N N 579 126.489 126.489 126.050 0.439 17519
3615 1 7 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.261 -0.121 17519
3616 1 7 . 1 1 50 50 VAL C C 579 174.015 174.015 174.560 -0.545 17519
3617 1 7 . 1 1 50 50 VAL CA C 579 60.252 60.252 59.869 0.383 17519
3618 1 7 . 1 1 50 50 VAL CB C 579 35.153 35.153 34.742 0.411 17519
3619 1 7 . 1 1 50 50 VAL H H 579 9.349 9.349 8.476 0.873 17519
3620 1 7 . 1 1 51 51 ASP N N 580 126.891 126.891 125.242 1.649 17519
3621 1 7 . 1 1 51 51 ASP HA H 580 4.867 4.867 4.952 -0.085 17519
3622 1 7 . 1 1 51 51 ASP C C 580 176.752 176.752 176.614 0.138 17519
3623 1 7 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.970 -0.444 17519
3624 1 7 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.108 -0.292 17519
3625 1 7 . 1 1 51 51 ASP H H 580 8.616 8.616 8.602 0.014 17519
3626 1 7 . 1 1 52 52 ILE N N 581 118.893 118.893 118.565 0.328 17519
3627 1 7 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.597 -0.009 17519
3628 1 7 . 1 1 52 52 ILE C C 581 176.717 176.717 176.534 0.183 17519
3629 1 7 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.991 0.110 17519
3630 1 7 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.015 0.040 17519
3631 1 7 . 1 1 52 52 ILE H H 581 8.627 8.627 8.063 0.564 17519
3632 1 7 . 1 1 53 53 GLY N N 582 114.728 114.728 111.790 2.938 17519
3633 1 7 . 1 1 53 53 GLY C C 582 174.442 174.442 175.072 -0.630 17519
3634 1 7 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.282 0.323 17519
3635 1 7 . 1 1 53 53 GLY H H 582 9.075 9.075 8.274 0.801 17519
3636 1 7 . 1 1 54 54 SER N N 583 120.404 120.404 114.245 6.159 17519
3637 1 7 . 1 1 54 54 SER HA H 583 4.549 4.549 4.537 0.012 17519
3638 1 7 . 1 1 54 54 SER C C 583 175.149 175.149 172.481 2.668 17519
3639 1 7 . 1 1 54 54 SER CA C 583 58.133 58.133 57.712 0.421 17519
3640 1 7 . 1 1 54 54 SER CB C 583 63.647 63.647 63.221 0.426 17519
3641 1 7 . 1 1 54 54 SER H H 583 8.812 8.812 8.022 0.790 17519
3642 1 7 . 1 1 55 55 ALA N N 584 125.527 125.527 122.203 3.324 17519
3643 1 7 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.610 -0.193 17519
3644 1 7 . 1 1 55 55 ALA C C 584 175.867 175.867 175.468 0.399 17519
3645 1 7 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.874 0.493 17519
3646 1 7 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.902 -0.838 17519
3647 1 7 . 1 1 55 55 ALA H H 584 7.820 7.820 8.083 -0.263 17519
3648 1 7 . 1 1 56 56 SER N N 585 109.786 109.786 114.727 -4.941 17519
3649 1 7 . 1 1 56 56 SER HA H 585 4.564 4.564 4.637 -0.073 17519
3650 1 7 . 1 1 56 56 SER C C 585 173.978 173.978 173.487 0.491 17519
3651 1 7 . 1 1 56 56 SER CA C 585 58.220 58.220 58.992 -0.772 17519
3652 1 7 . 1 1 56 56 SER CB C 585 64.962 64.962 64.202 0.760 17519
3653 1 7 . 1 1 56 56 SER H H 585 8.785 8.785 8.582 0.203 17519
3654 1 7 . 1 1 57 57 GLN N N 586 116.690 116.690 119.419 -2.729 17519
3655 1 7 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.809 0.339 17519
3656 1 7 . 1 1 57 57 GLN C C 586 172.923 172.923 173.340 -0.417 17519
3657 1 7 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.066 -1.070 17519
3658 1 7 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.864 1.675 17519
3659 1 7 . 1 1 57 57 GLN H H 586 7.144 7.144 7.744 -0.600 17519
3660 1 7 . 1 1 58 58 LEU N N 587 123.011 123.011 123.346 -0.335 17519
3661 1 7 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.061 -0.393 17519
3662 1 7 . 1 1 58 58 LEU C C 587 173.426 173.426 174.474 -1.048 17519
3663 1 7 . 1 1 58 58 LEU CA C 587 53.378 53.378 54.231 -0.853 17519
3664 1 7 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.458 1.200 17519
3665 1 7 . 1 1 58 58 LEU H H 587 9.226 9.226 9.021 0.205 17519
3666 1 7 . 1 1 59 59 GLU N N 588 129.185 129.185 126.430 2.755 17519
3667 1 7 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.566 -0.257 17519
3668 1 7 . 1 1 59 59 GLU C C 588 175.409 175.409 175.139 0.270 17519
3669 1 7 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.929 -0.279 17519
3670 1 7 . 1 1 59 59 GLU CB C 588 32.048 32.048 33.002 -0.954 17519
3671 1 7 . 1 1 59 59 GLU H H 588 8.830 8.830 9.041 -0.211 17519
3672 1 7 . 1 1 60 60 ALA N N 589 126.011 126.011 126.654 -0.643 17519
3673 1 7 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.152 0.751 17519
3674 1 7 . 1 1 60 60 ALA C C 589 174.861 174.861 174.932 -0.071 17519
3675 1 7 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.009 0.138 17519
3676 1 7 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.600 1.257 17519
3677 1 7 . 1 1 60 60 ALA H H 589 9.748 9.748 8.998 0.750 17519
3678 1 7 . 1 1 61 61 ALA N N 590 120.783 120.783 122.834 -2.051 17519
3679 1 7 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.539 0.278 17519
3680 1 7 . 1 1 61 61 ALA C C 590 174.731 174.731 174.817 -0.086 17519
3681 1 7 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.192 0.936 17519
3682 1 7 . 1 1 61 61 ALA CB C 590 23.100 23.100 21.984 1.116 17519
3683 1 7 . 1 1 61 61 ALA H H 590 9.392 9.392 8.382 1.010 17519
3684 1 7 . 1 1 62 62 PHE N N 591 116.572 116.572 118.119 -1.547 17519
3685 1 7 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.920 1.087 17519
3686 1 7 . 1 1 62 62 PHE C C 591 175.059 175.059 174.436 0.623 17519
3687 1 7 . 1 1 62 62 PHE CA C 591 56.456 56.456 54.411 2.045 17519
3688 1 7 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.086 2.237 17519
3689 1 7 . 1 1 62 62 PHE H H 591 8.394 8.394 8.212 0.182 17519
3690 1 7 . 1 1 63 63 ASN N N 592 116.166 116.166 119.242 -3.076 17519
3691 1 7 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.303 -0.139 17519
3692 1 7 . 1 1 63 63 ASN C C 592 172.073 172.073 175.376 -3.303 17519
3693 1 7 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.851 1.876 17519
3694 1 7 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.114 0.118 17519
3695 1 7 . 1 1 63 63 ASN H H 592 9.117 9.117 8.651 0.466 17519
3696 1 7 . 1 1 64 64 ASP N N 593 118.039 118.039 122.649 -4.610 17519
3697 1 7 . 1 1 64 64 ASP HA H 593 4.219 4.219 3.935 0.284 17519
3698 1 7 . 1 1 64 64 ASP C C 593 177.248 177.248 176.782 0.466 17519
3699 1 7 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.994 -3.743 17519
3700 1 7 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.408 0.314 17519
3701 1 7 . 1 1 64 64 ASP H H 593 7.558 7.558 7.977 -0.419 17519
3702 1 7 . 1 1 65 65 GLY N N 594 110.622 110.622 104.204 6.418 17519
3703 1 7 . 1 1 65 65 GLY C C 594 173.126 173.126 173.313 -0.187 17519
3704 1 7 . 1 1 65 65 GLY CA C 594 45.529 45.529 44.707 0.822 17519
3705 1 7 . 1 1 65 65 GLY H H 594 8.742 8.742 7.603 1.139 17519
3706 1 7 . 1 1 66 66 ASN N N 595 120.863 120.863 117.462 3.401 17519
3707 1 7 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.532 0.225 17519
3708 1 7 . 1 1 66 66 ASN C C 595 174.434 174.434 173.876 0.558 17519
3709 1 7 . 1 1 66 66 ASN CA C 595 52.167 52.167 53.831 -1.665 17519
3710 1 7 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.400 0.988 17519
3711 1 7 . 1 1 66 66 ASN H H 595 8.424 8.424 7.700 0.724 17519
3712 1 7 . 1 1 67 67 ASN N N 596 113.308 113.308 118.593 -5.285 17519
3713 1 7 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.704 -0.474 17519
3714 1 7 . 1 1 67 67 ASN C C 596 173.796 173.796 174.019 -0.223 17519
3715 1 7 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.084 0.341 17519
3716 1 7 . 1 1 67 67 ASN CB C 596 38.153 38.153 38.980 -0.827 17519
3717 1 7 . 1 1 67 67 ASN H H 596 8.744 8.744 8.909 -0.165 17519
3718 1 7 . 1 1 68 68 ASN N N 597 118.418 118.418 119.148 -0.730 17519
3719 1 7 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.067 0.051 17519
3720 1 7 . 1 1 68 68 ASN C C 597 173.474 173.474 173.210 0.264 17519
3721 1 7 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.886 0.252 17519
3722 1 7 . 1 1 68 68 ASN CB C 597 38.622 38.622 39.340 -0.718 17519
3723 1 7 . 1 1 68 68 ASN H H 597 8.032 8.032 8.356 -0.324 17519
3724 1 7 . 1 1 69 69 TRP N N 598 120.990 120.990 122.705 -1.715 17519
3725 1 7 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.097 -0.241 17519
3726 1 7 . 1 1 69 69 TRP C C 598 176.220 176.220 176.486 -0.266 17519
3727 1 7 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.312 0.921 17519
3728 1 7 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.003 2.216 17519
3729 1 7 . 1 1 69 69 TRP H H 598 8.842 8.842 8.586 0.256 17519
3730 1 7 . 1 1 70 70 ASP N N 599 122.210 122.210 125.236 -3.026 17519
3731 1 7 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.871 0.376 17519
3732 1 7 . 1 1 70 70 ASP CA C 599 53.246 53.246 55.513 -2.267 17519
3733 1 7 . 1 1 70 70 ASP CB C 599 41.898 41.898 42.218 -0.320 17519
3734 1 7 . 1 1 70 70 ASP H H 599 9.831 9.831 8.967 0.864 17519
3735 1 7 . 1 1 71 71 SER N N 600 117.252 117.252 116.937 0.315 17519
3736 1 7 . 1 1 71 71 SER HA H 600 5.141 5.141 3.968 1.173 17519
3737 1 7 . 1 1 71 71 SER CA C 600 55.907 55.907 61.574 -5.667 17519
3738 1 7 . 1 1 71 71 SER H H 600 9.328 9.328 7.766 1.562 17519
3739 1 7 . 1 1 72 72 ASN N N 601 123.197 123.197 114.401 8.796 17519
3740 1 7 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.696 -0.267 17519
3741 1 7 . 1 1 72 72 ASN C C 601 176.895 176.895 174.105 2.790 17519
3742 1 7 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.349 -0.257 17519
3743 1 7 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.627 0.524 17519
3744 1 7 . 1 1 72 72 ASN H H 601 8.715 8.715 8.496 0.219 17519
3745 1 7 . 1 1 73 73 ASN N N 602 116.099 116.099 116.510 -0.411 17519
3746 1 7 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.278 0.166 17519
3747 1 7 . 1 1 73 73 ASN C C 602 176.304 176.304 174.225 2.079 17519
3748 1 7 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.721 -0.256 17519
3749 1 7 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.197 -0.920 17519
3750 1 7 . 1 1 73 73 ASN H H 602 9.184 9.184 8.165 1.019 17519
3751 1 7 . 1 1 74 74 THR N N 603 110.445 110.445 109.607 0.838 17519
3752 1 7 . 1 1 74 74 THR HA H 603 3.835 3.835 4.181 -0.346 17519
3753 1 7 . 1 1 74 74 THR C C 603 173.186 173.186 172.973 0.213 17519
3754 1 7 . 1 1 74 74 THR CA C 603 65.006 65.006 62.655 2.351 17519
3755 1 7 . 1 1 74 74 THR CB C 603 69.653 69.653 68.539 1.114 17519
3756 1 7 . 1 1 74 74 THR H H 603 7.829 7.829 7.842 -0.013 17519
3757 1 7 . 1 1 75 75 LYS N N 604 121.909 121.909 120.050 1.859 17519
3758 1 7 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.393 -0.256 17519
3759 1 7 . 1 1 75 75 LYS C C 604 177.262 177.262 174.500 2.762 17519
3760 1 7 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.818 1.949 17519
3761 1 7 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.856 -0.480 17519
3762 1 7 . 1 1 75 75 LYS H H 604 7.714 7.714 8.124 -0.410 17519
3763 1 7 . 1 1 76 76 ASN N N 605 108.823 108.823 117.346 -8.523 17519
3764 1 7 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.078 -0.138 17519
3765 1 7 . 1 1 76 76 ASN C C 605 171.742 171.742 175.154 -3.412 17519
3766 1 7 . 1 1 76 76 ASN CA C 605 54.159 54.159 53.651 0.508 17519
3767 1 7 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.846 0.181 17519
3768 1 7 . 1 1 76 76 ASN H H 605 8.274 8.274 7.827 0.447 17519
3769 1 7 . 1 1 77 77 TYR N N 606 117.628 117.628 117.016 0.612 17519
3770 1 7 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.858 -0.031 17519
3771 1 7 . 1 1 77 77 TYR C C 606 174.468 174.468 174.663 -0.195 17519
3772 1 7 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.510 0.059 17519
3773 1 7 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.921 0.634 17519
3774 1 7 . 1 1 77 77 TYR H H 606 9.055 9.055 7.827 1.228 17519
3775 1 7 . 1 1 78 78 LEU N N 607 121.811 121.811 123.459 -1.648 17519
3776 1 7 . 1 1 78 78 LEU HA H 607 5.303 5.303 5.425 -0.122 17519
3777 1 7 . 1 1 78 78 LEU C C 607 175.673 175.673 175.421 0.252 17519
3778 1 7 . 1 1 78 78 LEU CA C 607 53.244 53.244 53.409 -0.165 17519
3779 1 7 . 1 1 78 78 LEU CB C 607 43.971 43.971 44.264 -0.292 17519
3780 1 7 . 1 1 78 78 LEU H H 607 7.983 7.983 8.665 -0.682 17519
3781 1 7 . 1 1 79 79 PHE N N 608 121.390 121.390 124.004 -2.614 17519
3782 1 7 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.849 -0.022 17519
3783 1 7 . 1 1 79 79 PHE C C 608 175.786 175.786 174.191 1.595 17519
3784 1 7 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.917 -0.066 17519
3785 1 7 . 1 1 79 79 PHE CB C 608 42.563 42.563 43.742 -1.179 17519
3786 1 7 . 1 1 79 79 PHE H H 608 9.240 9.240 9.012 0.228 17519
3787 1 7 . 1 1 80 80 SER N N 609 117.589 117.589 115.292 2.297 17519
3788 1 7 . 1 1 80 80 SER HA H 609 4.979 4.979 4.740 0.239 17519
3789 1 7 . 1 1 80 80 SER C C 609 173.269 173.269 174.064 -0.795 17519
3790 1 7 . 1 1 80 80 SER CA C 609 57.811 57.811 56.018 1.793 17519
3791 1 7 . 1 1 80 80 SER CB C 609 64.856 64.856 64.951 -0.095 17519
3792 1 7 . 1 1 80 80 SER H H 609 8.948 8.948 8.491 0.457 17519
3793 1 7 . 1 1 81 81 THR N N 610 112.845 112.845 114.925 -2.080 17519
3794 1 7 . 1 1 81 81 THR HA H 610 3.871 3.871 4.092 -0.221 17519
3795 1 7 . 1 1 81 81 THR C C 610 174.439 174.439 175.371 -0.932 17519
3796 1 7 . 1 1 81 81 THR CA C 610 64.353 64.353 63.507 0.846 17519
3797 1 7 . 1 1 81 81 THR CB C 610 69.421 69.421 69.027 0.394 17519
3798 1 7 . 1 1 82 82 GLY N N 611 112.157 112.157 110.438 1.719 17519
3799 1 7 . 1 1 82 82 GLY C C 611 174.430 174.430 172.048 2.382 17519
3800 1 7 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.564 -0.698 17519
3801 1 7 . 1 1 82 82 GLY H H 611 8.468 8.468 8.070 0.398 17519
3802 1 7 . 1 1 83 83 THR N N 612 120.992 120.992 116.242 4.750 17519
3803 1 7 . 1 1 83 83 THR HA H 612 5.483 5.483 5.270 0.213 17519
3804 1 7 . 1 1 83 83 THR C C 612 174.819 174.819 173.433 1.386 17519
3805 1 7 . 1 1 83 83 THR CA C 612 62.563 62.563 61.679 0.884 17519
3806 1 7 . 1 1 83 83 THR CB C 612 70.093 70.093 70.401 -0.308 17519
3807 1 7 . 1 1 83 83 THR H H 612 8.736 8.736 8.157 0.579 17519
3808 1 7 . 1 1 84 84 SER N N 613 122.602 122.602 121.296 1.306 17519
3809 1 7 . 1 1 84 84 SER HA H 613 5.489 5.489 5.225 0.264 17519
3810 1 7 . 1 1 84 84 SER C C 613 172.064 172.064 172.866 -0.802 17519
3811 1 7 . 1 1 84 84 SER CA C 613 58.813 58.813 57.067 1.746 17519
3812 1 7 . 1 1 84 84 SER CB C 613 67.694 67.694 66.400 1.294 17519
3813 1 7 . 1 1 84 84 SER H H 613 9.051 9.051 9.026 0.025 17519
3814 1 7 . 1 1 85 85 THR N N 614 117.759 117.759 121.311 -3.552 17519
3815 1 7 . 1 1 85 85 THR HA H 614 5.256 5.256 5.195 0.061 17519
3816 1 7 . 1 1 85 85 THR C C 614 173.632 173.632 172.897 0.735 17519
3817 1 7 . 1 1 85 85 THR CA C 614 62.724 62.724 61.675 1.049 17519
3818 1 7 . 1 1 85 85 THR CB C 614 70.908 70.908 70.948 -0.040 17519
3819 1 7 . 1 1 85 85 THR H H 614 9.523 9.523 8.892 0.631 17519
3820 1 7 . 1 1 86 86 TYR N N 615 131.519 131.519 129.564 1.955 17519
3821 1 7 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.969 0.244 17519
3822 1 7 . 1 1 86 86 TYR C C 615 172.999 172.999 173.572 -0.573 17519
3823 1 7 . 1 1 86 86 TYR CA C 615 57.163 57.163 55.046 2.117 17519
3824 1 7 . 1 1 86 86 TYR CB C 615 41.569 41.569 39.243 2.326 17519
3825 1 7 . 1 1 86 86 TYR H H 615 10.029 10.029 9.461 0.568 17519
3826 1 7 . 1 1 87 87 THR N N 616 124.674 124.674 124.870 -0.196 17519
3827 1 7 . 1 1 87 87 THR HA H 616 4.370 4.370 4.491 -0.121 17519
3828 1 7 . 1 1 87 87 THR CA C 616 58.725 58.725 59.143 -0.418 17519
3829 1 7 . 1 1 87 87 THR CB C 616 70.070 70.070 70.098 -0.028 17519
3830 1 7 . 1 1 87 87 THR H H 616 8.027 8.027 9.256 -1.229 17519
3831 1 7 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.747 -0.655 17519
3832 1 7 . 1 1 88 88 PRO C C 617 177.011 177.011 176.607 0.404 17519
3833 1 7 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.613 0.274 17519
3834 1 7 . 1 1 88 88 PRO CB C 617 32.324 32.324 31.238 1.086 17519
3835 1 7 . 1 1 89 89 GLY N N 618 108.881 108.881 110.880 -1.999 17519
3836 1 7 . 1 1 89 89 GLY C C 618 173.673 173.673 173.749 -0.076 17519
3837 1 7 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.400 -0.404 17519
3838 1 7 . 1 1 89 89 GLY H H 618 8.261 8.261 8.091 0.170 17519
3839 1 7 . 1 1 90 90 SER N N 619 114.743 114.743 112.131 2.612 17519
3840 1 7 . 1 1 90 90 SER HA H 619 4.537 4.537 4.345 0.192 17519
3841 1 7 . 1 1 90 90 SER C C 619 175.706 175.706 174.313 1.393 17519
3842 1 7 . 1 1 90 90 SER CA C 619 57.617 57.617 59.261 -1.645 17519
3843 1 7 . 1 1 90 90 SER CB C 619 64.294 64.294 63.410 0.884 17519
3844 1 7 . 1 1 90 90 SER H H 619 8.380 8.380 8.157 0.223 17519
3845 1 7 . 1 1 91 91 ASN N N 620 121.360 121.360 121.121 0.239 17519
3846 1 7 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.729 -0.317 17519
3847 1 7 . 1 1 91 91 ASN C C 620 175.289 175.289 175.885 -0.596 17519
3848 1 7 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.371 0.982 17519
3849 1 7 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.927 -0.194 17519
3850 1 7 . 1 1 91 91 ASN H H 620 9.296 9.296 8.604 0.692 17519
3851 1 7 . 1 1 92 92 GLY N N 621 105.883 105.883 109.429 -3.546 17519
3852 1 7 . 1 1 92 92 GLY C C 621 174.510 174.510 173.913 0.597 17519
3853 1 7 . 1 1 92 92 GLY CA C 621 45.229 45.229 44.940 0.289 17519
3854 1 7 . 1 1 92 92 GLY H H 621 8.528 8.528 8.148 0.380 17519
3855 1 7 . 1 1 93 93 ALA N N 622 123.803 123.803 124.350 -0.547 17519
3856 1 7 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.712 -0.296 17519
3857 1 7 . 1 1 93 93 ALA C C 622 176.820 176.820 175.255 1.565 17519
3858 1 7 . 1 1 93 93 ALA CA C 622 51.851 51.851 51.174 0.677 17519
3859 1 7 . 1 1 93 93 ALA CB C 622 19.804 19.804 19.975 -0.171 17519
3860 1 7 . 1 1 93 93 ALA H H 622 7.486 7.486 8.021 -0.535 17519
3861 1 7 . 1 1 94 94 ALA N N 623 123.284 123.284 126.573 -3.289 17519
3862 1 7 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.556 0.034 17519
3863 1 7 . 1 1 94 94 ALA C C 623 178.770 178.770 177.604 1.166 17519
3864 1 7 . 1 1 94 94 ALA CA C 623 52.627 52.627 51.199 1.428 17519
3865 1 7 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.501 0.586 17519
3866 1 7 . 1 1 94 94 ALA H H 623 8.397 8.397 8.691 -0.294 17519
3867 1 7 . 1 1 95 95 GLY N N 624 108.970 108.970 112.890 -3.920 17519
3868 1 7 . 1 1 95 95 GLY C C 624 173.156 173.156 173.847 -0.691 17519
3869 1 7 . 1 1 95 95 GLY CA C 624 44.857 44.857 45.815 -0.958 17519
3870 1 7 . 1 1 95 95 GLY H H 624 8.438 8.438 8.711 -0.273 17519
3871 1 7 . 1 1 96 96 THR N N 625 108.929 108.929 115.197 -6.268 17519
3872 1 7 . 1 1 96 96 THR HA H 625 4.603 4.603 4.715 -0.112 17519
3873 1 7 . 1 1 96 96 THR C C 625 172.765 172.765 172.702 0.063 17519
3874 1 7 . 1 1 96 96 THR CA C 625 60.350 60.350 60.169 0.181 17519
3875 1 7 . 1 1 96 96 THR CB C 625 72.295 72.295 71.822 0.473 17519
3876 1 7 . 1 1 96 96 THR H H 625 7.833 7.833 8.500 -0.667 17519
3877 1 7 . 1 1 97 97 ILE N N 626 123.623 123.623 120.897 2.726 17519
3878 1 7 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.208 -0.391 17519
3879 1 7 . 1 1 97 97 ILE C C 626 175.596 175.596 175.390 0.206 17519
3880 1 7 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.398 1.651 17519
3881 1 7 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.857 1.321 17519
3882 1 7 . 1 1 97 97 ILE H H 626 8.594 8.594 8.517 0.077 17519
3883 1 7 . 1 1 98 98 ARG N N 627 127.431 127.431 128.194 -0.763 17519
3884 1 7 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.884 0.051 17519
3885 1 7 . 1 1 98 98 ARG C C 627 175.183 175.183 175.568 -0.385 17519
3886 1 7 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.380 -0.612 17519
3887 1 7 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.654 1.122 17519
3888 1 7 . 1 1 98 98 ARG H H 627 8.979 8.979 9.131 -0.152 17519
3889 1 7 . 1 1 99 99 THR N N 628 118.452 118.452 118.209 0.243 17519
3890 1 7 . 1 1 99 99 THR HA H 628 4.410 4.410 4.661 -0.251 17519
3891 1 7 . 1 1 99 99 THR C C 628 174.845 174.845 175.150 -0.305 17519
3892 1 7 . 1 1 99 99 THR CA C 628 63.962 63.962 61.677 2.285 17519
3893 1 7 . 1 1 99 99 THR CB C 628 69.488 69.488 69.105 0.383 17519
3894 1 7 . 1 1 99 99 THR H H 628 8.697 8.697 8.600 0.097 17519
3895 1 7 . 1 1 100 100 GLY N N 629 114.137 114.137 110.864 3.273 17519
3896 1 7 . 1 1 100 100 GLY C C 629 171.903 171.903 172.517 -0.614 17519
3897 1 7 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.314 -0.567 17519
3898 1 7 . 1 1 100 100 GLY H H 629 8.626 8.626 8.787 -0.161 17519
3899 1 7 . 1 1 101 101 ALA N N 630 120.627 120.627 124.404 -3.777 17519
3900 1 7 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.121 -0.429 17519
3901 1 7 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.840 -1.412 17519
3902 1 7 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.348 -0.277 17519
3903 1 7 . 1 1 101 101 ALA H H 630 7.980 7.980 8.163 -0.183 17519
3904 1 7 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.390 -0.265 17519
3905 1 7 . 1 1 102 102 PRO C C 631 175.721 175.721 175.626 0.095 17519
3906 1 7 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.303 0.637 17519
3907 1 7 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.386 -0.641 17519
3908 1 7 . 1 1 103 103 SER N N 632 113.689 113.689 116.347 -2.658 17519
3909 1 7 . 1 1 103 103 SER HA H 632 4.295 4.295 4.442 -0.147 17519
3910 1 7 . 1 1 103 103 SER C C 632 173.816 173.816 174.620 -0.804 17519
3911 1 7 . 1 1 103 103 SER CA C 632 57.689 57.689 58.087 -0.397 17519
3912 1 7 . 1 1 103 103 SER CB C 632 64.133 64.133 63.130 1.003 17519
3913 1 7 . 1 1 103 103 SER H H 632 7.969 7.969 8.197 -0.228 17519
3914 1 8 . 1 1 2 2 GLY C C 531 174.309 174.309 174.733 -0.424 17519
3915 1 8 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.242 -0.066 17519
3916 1 8 . 1 1 3 3 THR N N 532 113.802 113.802 114.773 -0.971 17519
3917 1 8 . 1 1 3 3 THR HA H 532 4.429 4.429 4.044 0.385 17519
3918 1 8 . 1 1 3 3 THR C C 532 174.430 174.430 174.885 -0.455 17519
3919 1 8 . 1 1 3 3 THR CA C 532 61.577 61.577 63.279 -1.702 17519
3920 1 8 . 1 1 3 3 THR CB C 532 69.849 69.849 69.294 0.555 17519
3921 1 8 . 1 1 3 3 THR H H 532 8.140 8.140 8.009 0.131 17519
3922 1 8 . 1 1 4 4 THR N N 533 115.407 115.407 116.250 -0.843 17519
3923 1 8 . 1 1 4 4 THR HA H 533 4.350 4.350 4.134 0.216 17519
3924 1 8 . 1 1 4 4 THR C C 533 173.831 173.831 173.145 0.686 17519
3925 1 8 . 1 1 4 4 THR CA C 533 60.266 60.266 62.474 -2.208 17519
3926 1 8 . 1 1 4 4 THR CB C 533 69.788 69.788 68.564 1.224 17519
3927 1 8 . 1 1 4 4 THR H H 533 8.019 8.019 7.933 0.086 17519
3928 1 8 . 1 1 5 5 ASN N N 534 121.822 121.822 124.238 -2.416 17519
3929 1 8 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.778 0.058 17519
3930 1 8 . 1 1 5 5 ASN C C 534 174.057 174.057 173.926 0.131 17519
3931 1 8 . 1 1 5 5 ASN CA C 534 52.686 52.686 53.026 -0.340 17519
3932 1 8 . 1 1 5 5 ASN CB C 534 39.156 39.156 39.675 -0.519 17519
3933 1 8 . 1 1 5 5 ASN H H 534 8.863 8.863 8.454 0.409 17519
3934 1 8 . 1 1 6 6 LYS N N 535 119.369 119.369 116.469 2.900 17519
3935 1 8 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.773 0.412 17519
3936 1 8 . 1 1 6 6 LYS C C 535 175.924 175.924 175.305 0.619 17519
3937 1 8 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.577 -1.046 17519
3938 1 8 . 1 1 6 6 LYS CB C 535 36.016 36.016 35.880 0.136 17519
3939 1 8 . 1 1 6 6 LYS H H 535 8.347 8.347 8.206 0.141 17519
3940 1 8 . 1 1 7 7 VAL N N 536 123.112 123.112 119.200 3.912 17519
3941 1 8 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.555 0.018 17519
3942 1 8 . 1 1 7 7 VAL C C 536 174.602 174.602 174.912 -0.310 17519
3943 1 8 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.549 0.596 17519
3944 1 8 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.947 1.826 17519
3945 1 8 . 1 1 7 7 VAL H H 536 8.828 8.828 8.744 0.084 17519
3946 1 8 . 1 1 8 8 THR N N 537 125.255 125.255 124.116 1.139 17519
3947 1 8 . 1 1 8 8 THR HA H 537 5.396 5.396 5.316 0.080 17519
3948 1 8 . 1 1 8 8 THR C C 537 173.129 173.129 173.930 -0.801 17519
3949 1 8 . 1 1 8 8 THR CA C 537 61.611 61.611 61.565 0.046 17519
3950 1 8 . 1 1 8 8 THR CB C 537 70.113 70.113 69.717 0.396 17519
3951 1 8 . 1 1 8 8 THR H H 537 8.914 8.914 8.459 0.455 17519
3952 1 8 . 1 1 9 9 VAL N N 538 126.696 126.696 126.388 0.308 17519
3953 1 8 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.852 -0.318 17519
3954 1 8 . 1 1 9 9 VAL C C 538 175.565 175.565 174.338 1.227 17519
3955 1 8 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.584 0.295 17519
3956 1 8 . 1 1 9 9 VAL CB C 538 35.179 35.179 35.317 -0.138 17519
3957 1 8 . 1 1 9 9 VAL H H 538 8.585 8.585 8.939 -0.354 17519
3958 1 8 . 1 1 10 10 TYR N N 539 124.488 124.488 125.260 -0.772 17519
3959 1 8 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.354 -0.096 17519
3960 1 8 . 1 1 10 10 TYR C C 539 174.309 174.309 174.647 -0.338 17519
3961 1 8 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.807 0.459 17519
3962 1 8 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.680 -1.270 17519
3963 1 8 . 1 1 10 10 TYR H H 539 9.111 9.111 8.781 0.330 17519
3964 1 8 . 1 1 11 11 TYR N N 540 125.848 125.848 125.340 0.508 17519
3965 1 8 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.770 -0.744 17519
3966 1 8 . 1 1 11 11 TYR C C 540 173.346 173.346 174.030 -0.684 17519
3967 1 8 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.652 0.950 17519
3968 1 8 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.979 -0.021 17519
3969 1 8 . 1 1 11 11 TYR H H 540 9.580 9.580 9.139 0.441 17519
3970 1 8 . 1 1 12 12 LYS N N 541 131.489 131.489 127.014 4.475 17519
3971 1 8 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.884 -0.432 17519
3972 1 8 . 1 1 12 12 LYS C C 541 172.904 172.904 175.214 -2.310 17519
3973 1 8 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.999 0.716 17519
3974 1 8 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.499 -0.402 17519
3975 1 8 . 1 1 12 12 LYS H H 541 8.406 8.406 8.089 0.317 17519
3976 1 8 . 1 1 13 13 LYS N N 542 125.132 125.132 127.694 -2.562 17519
3977 1 8 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.457 -0.519 17519
3978 1 8 . 1 1 13 13 LYS C C 542 180.078 180.078 176.227 3.851 17519
3979 1 8 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.763 -4.327 17519
3980 1 8 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.849 -1.244 17519
3981 1 8 . 1 1 13 13 LYS H H 542 7.515 7.515 7.816 -0.301 17519
3982 1 8 . 1 1 14 14 GLY N N 543 112.724 112.724 112.683 0.041 17519
3983 1 8 . 1 1 14 14 GLY C C 543 174.151 174.151 173.130 1.021 17519
3984 1 8 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.673 1.617 17519
3985 1 8 . 1 1 14 14 GLY H H 543 7.629 7.629 8.063 -0.434 17519
3986 1 8 . 1 1 15 15 PHE N N 544 121.583 121.583 120.077 1.506 17519
3987 1 8 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.776 -0.054 17519
3988 1 8 . 1 1 15 15 PHE C C 544 175.876 175.876 176.161 -0.285 17519
3989 1 8 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.870 -1.760 17519
3990 1 8 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.505 -2.115 17519
3991 1 8 . 1 1 15 15 PHE H H 544 8.557 8.557 8.674 -0.117 17519
3992 1 8 . 1 1 16 16 ASN N N 545 117.559 117.559 114.253 3.306 17519
3993 1 8 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.948 -0.484 17519
3994 1 8 . 1 1 16 16 ASN C C 545 176.289 176.289 174.192 2.097 17519
3995 1 8 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.684 2.736 17519
3996 1 8 . 1 1 16 16 ASN CB C 545 39.263 39.263 41.258 -1.995 17519
3997 1 8 . 1 1 16 16 ASN H H 545 8.561 8.561 8.688 -0.127 17519
3998 1 8 . 1 1 17 17 SER N N 546 112.901 112.901 115.223 -2.322 17519
3999 1 8 . 1 1 17 17 SER HA H 546 4.862 4.862 4.775 0.087 17519
4000 1 8 . 1 1 17 17 SER CA C 546 53.586 53.586 57.148 -3.562 17519
4001 1 8 . 1 1 17 17 SER CB C 546 63.708 63.708 63.536 0.172 17519
4002 1 8 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.461 0.132 17519
4003 1 8 . 1 1 18 18 PRO C C 547 175.806 175.806 175.277 0.529 17519
4004 1 8 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.334 0.187 17519
4005 1 8 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.426 0.236 17519
4006 1 8 . 1 1 19 19 TYR N N 548 122.230 122.230 119.404 2.826 17519
4007 1 8 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.450 0.427 17519
4008 1 8 . 1 1 19 19 TYR C C 548 174.660 174.660 174.593 0.067 17519
4009 1 8 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.651 -0.991 17519
4010 1 8 . 1 1 19 19 TYR CB C 548 40.462 40.462 42.423 -1.961 17519
4011 1 8 . 1 1 19 19 TYR H H 548 9.141 9.141 8.628 0.513 17519
4012 1 8 . 1 1 20 20 ILE N N 549 118.425 118.425 118.077 0.348 17519
4013 1 8 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.560 0.512 17519
4014 1 8 . 1 1 20 20 ILE C C 549 171.422 171.422 173.060 -1.638 17519
4015 1 8 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.935 -0.506 17519
4016 1 8 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.575 0.181 17519
4017 1 8 . 1 1 21 21 HIS N N 550 133.248 133.248 126.522 6.726 17519
4018 1 8 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.657 0.706 17519
4019 1 8 . 1 1 21 21 HIS C C 550 174.988 174.988 173.251 1.737 17519
4020 1 8 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.161 -0.246 17519
4021 1 8 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.788 1.986 17519
4022 1 8 . 1 1 21 21 HIS H H 550 8.956 8.956 8.227 0.729 17519
4023 1 8 . 1 1 22 22 TYR N N 551 121.831 121.831 122.733 -0.902 17519
4024 1 8 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.579 0.604 17519
4025 1 8 . 1 1 22 22 TYR C C 551 173.934 173.934 173.432 0.502 17519
4026 1 8 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.746 1.922 17519
4027 1 8 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.349 1.369 17519
4028 1 8 . 1 1 22 22 TYR H H 551 8.204 8.204 8.220 -0.016 17519
4029 1 8 . 1 1 23 23 ARG N N 552 115.619 115.619 118.552 -2.933 17519
4030 1 8 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.721 0.041 17519
4031 1 8 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.593 -0.113 17519
4032 1 8 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.285 -1.247 17519
4033 1 8 . 1 1 23 23 ARG H H 552 8.674 8.674 8.960 -0.286 17519
4034 1 8 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.487 0.069 17519
4035 1 8 . 1 1 24 24 PRO C C 553 176.736 176.736 176.866 -0.130 17519
4036 1 8 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.274 0.078 17519
4037 1 8 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.815 -0.935 17519
4038 1 8 . 1 1 25 25 ALA N N 554 125.908 125.908 125.476 0.432 17519
4039 1 8 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.917 0.105 17519
4040 1 8 . 1 1 25 25 ALA C C 554 179.217 179.217 178.145 1.072 17519
4041 1 8 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.544 -0.459 17519
4042 1 8 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.985 -0.753 17519
4043 1 8 . 1 1 25 25 ALA H H 554 8.293 8.293 8.078 0.215 17519
4044 1 8 . 1 1 26 26 GLY N N 555 111.766 111.766 105.544 6.222 17519
4045 1 8 . 1 1 26 26 GLY C C 555 174.796 174.796 173.674 1.122 17519
4046 1 8 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.605 1.036 17519
4047 1 8 . 1 1 26 26 GLY H H 555 8.602 8.602 7.971 0.631 17519
4048 1 8 . 1 1 27 27 GLY N N 556 109.512 109.512 111.197 -1.685 17519
4049 1 8 . 1 1 27 27 GLY C C 556 173.368 173.368 173.182 0.186 17519
4050 1 8 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.570 -1.364 17519
4051 1 8 . 1 1 27 27 GLY H H 556 8.494 8.494 7.953 0.541 17519
4052 1 8 . 1 1 28 28 SER N N 557 117.962 117.962 114.816 3.146 17519
4053 1 8 . 1 1 28 28 SER HA H 557 4.690 4.690 4.576 0.114 17519
4054 1 8 . 1 1 28 28 SER C C 557 173.656 173.656 172.428 1.228 17519
4055 1 8 . 1 1 28 28 SER CA C 557 57.492 57.492 57.205 0.287 17519
4056 1 8 . 1 1 28 28 SER CB C 557 64.803 64.803 64.305 0.498 17519
4057 1 8 . 1 1 28 28 SER H H 557 8.681 8.681 7.683 0.998 17519
4058 1 8 . 1 1 29 29 TRP N N 558 123.928 123.928 121.376 2.552 17519
4059 1 8 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.743 -0.291 17519
4060 1 8 . 1 1 29 29 TRP C C 558 178.891 178.891 176.826 2.065 17519
4061 1 8 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.594 1.480 17519
4062 1 8 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.636 0.070 17519
4063 1 8 . 1 1 29 29 TRP H H 558 8.392 8.392 8.616 -0.224 17519
4064 1 8 . 1 1 30 30 THR N N 559 111.067 111.067 119.765 -8.698 17519
4065 1 8 . 1 1 30 30 THR HA H 559 4.037 4.037 4.272 -0.235 17519
4066 1 8 . 1 1 30 30 THR C C 559 174.782 174.782 174.638 0.144 17519
4067 1 8 . 1 1 30 30 THR CA C 559 61.321 61.321 63.708 -2.387 17519
4068 1 8 . 1 1 30 30 THR CB C 559 70.561 70.561 69.675 0.885 17519
4069 1 8 . 1 1 30 30 THR H H 559 7.953 7.953 8.446 -0.493 17519
4070 1 8 . 1 1 31 31 ALA N N 560 123.046 123.046 124.613 -1.567 17519
4071 1 8 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.228 0.223 17519
4072 1 8 . 1 1 31 31 ALA C C 560 178.493 178.493 176.662 1.831 17519
4073 1 8 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.089 -0.175 17519
4074 1 8 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.682 -0.683 17519
4075 1 8 . 1 1 31 31 ALA H H 560 8.437 8.437 8.396 0.041 17519
4076 1 8 . 1 1 32 32 ALA N N 561 129.644 129.644 127.885 1.759 17519
4077 1 8 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.986 -0.045 17519
4078 1 8 . 1 1 32 32 ALA CA C 561 51.756 51.756 50.084 1.672 17519
4079 1 8 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.425 -2.275 17519
4080 1 8 . 1 1 32 32 ALA H H 561 8.828 8.828 8.240 0.588 17519
4081 1 8 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.310 -0.412 17519
4082 1 8 . 1 1 33 33 PRO C C 562 173.280 173.280 176.811 -3.531 17519
4083 1 8 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.082 1.357 17519
4084 1 8 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.531 -0.019 17519
4085 1 8 . 1 1 34 34 GLY N N 563 112.224 112.224 109.704 2.520 17519
4086 1 8 . 1 1 34 34 GLY C C 563 173.977 173.977 174.320 -0.343 17519
4087 1 8 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.098 -2.149 17519
4088 1 8 . 1 1 34 34 GLY H H 563 8.763 8.763 7.867 0.896 17519
4089 1 8 . 1 1 35 35 VAL N N 564 123.427 123.427 118.059 5.368 17519
4090 1 8 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.352 0.049 17519
4091 1 8 . 1 1 35 35 VAL C C 564 174.734 174.734 174.657 0.077 17519
4092 1 8 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.234 1.653 17519
4093 1 8 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.438 -0.537 17519
4094 1 8 . 1 1 36 36 LYS N N 565 128.212 128.212 124.208 4.004 17519
4095 1 8 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.627 -0.518 17519
4096 1 8 . 1 1 36 36 LYS C C 565 176.437 176.437 175.668 0.769 17519
4097 1 8 . 1 1 36 36 LYS CA C 565 57.187 57.187 54.851 2.336 17519
4098 1 8 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.625 0.789 17519
4099 1 8 . 1 1 36 36 LYS H H 565 8.486 8.486 8.236 0.250 17519
4100 1 8 . 1 1 37 37 MET N N 566 124.964 124.964 123.282 1.682 17519
4101 1 8 . 1 1 37 37 MET HA H 566 4.228 4.228 4.024 0.204 17519
4102 1 8 . 1 1 37 37 MET C C 566 175.652 175.652 175.528 0.124 17519
4103 1 8 . 1 1 37 37 MET CA C 566 56.485 56.485 56.869 -0.384 17519
4104 1 8 . 1 1 37 37 MET CB C 566 35.011 35.011 32.357 2.654 17519
4105 1 8 . 1 1 37 37 MET H H 566 8.202 8.202 8.272 -0.070 17519
4106 1 8 . 1 1 38 38 GLN N N 567 121.561 121.561 124.412 -2.851 17519
4107 1 8 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.443 -0.006 17519
4108 1 8 . 1 1 38 38 GLN C C 567 175.809 175.809 175.255 0.554 17519
4109 1 8 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.882 -0.060 17519
4110 1 8 . 1 1 38 38 GLN CB C 567 30.182 30.182 31.207 -1.026 17519
4111 1 8 . 1 1 38 38 GLN H H 567 8.489 8.489 8.213 0.276 17519
4112 1 8 . 1 1 39 39 ASP N N 568 121.881 121.881 127.168 -5.287 17519
4113 1 8 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.522 0.261 17519
4114 1 8 . 1 1 39 39 ASP C C 568 176.715 176.715 175.933 0.782 17519
4115 1 8 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.935 -0.768 17519
4116 1 8 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.831 -1.592 17519
4117 1 8 . 1 1 39 39 ASP H H 568 8.780 8.780 8.757 0.023 17519
4118 1 8 . 1 1 40 40 ALA N N 569 122.696 122.696 126.244 -3.548 17519
4119 1 8 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.284 0.068 17519
4120 1 8 . 1 1 40 40 ALA C C 569 175.165 175.165 177.403 -2.238 17519
4121 1 8 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.773 -1.280 17519
4122 1 8 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.522 1.213 17519
4123 1 8 . 1 1 40 40 ALA H H 569 8.463 8.463 8.213 0.250 17519
4124 1 8 . 1 1 41 41 GLU N N 570 120.083 120.083 117.928 2.155 17519
4125 1 8 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.457 -0.106 17519
4126 1 8 . 1 1 41 41 GLU C C 570 174.683 174.683 177.003 -2.320 17519
4127 1 8 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.396 1.129 17519
4128 1 8 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.450 -3.219 17519
4129 1 8 . 1 1 41 41 GLU H H 570 10.398 10.398 8.724 1.674 17519
4130 1 8 . 1 1 42 42 ILE N N 571 119.363 119.363 119.966 -0.603 17519
4131 1 8 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.203 0.176 17519
4132 1 8 . 1 1 42 42 ILE C C 571 174.913 174.913 176.225 -1.312 17519
4133 1 8 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.986 -3.166 17519
4134 1 8 . 1 1 42 42 ILE CB C 571 39.586 39.586 37.908 1.678 17519
4135 1 8 . 1 1 42 42 ILE H H 571 6.526 6.526 7.914 -1.388 17519
4136 1 8 . 1 1 43 43 SER N N 572 121.258 121.258 115.139 6.119 17519
4137 1 8 . 1 1 43 43 SER HA H 572 4.352 4.352 4.590 -0.238 17519
4138 1 8 . 1 1 43 43 SER C C 572 175.617 175.617 174.124 1.493 17519
4139 1 8 . 1 1 43 43 SER CA C 572 60.125 60.125 58.958 1.167 17519
4140 1 8 . 1 1 43 43 SER CB C 572 63.063 63.063 63.723 -0.660 17519
4141 1 8 . 1 1 43 43 SER H H 572 8.618 8.618 8.156 0.462 17519
4142 1 8 . 1 1 44 44 GLY N N 573 111.836 111.836 111.818 0.018 17519
4143 1 8 . 1 1 44 44 GLY C C 573 173.828 173.828 173.116 0.712 17519
4144 1 8 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.324 -0.469 17519
4145 1 8 . 1 1 44 44 GLY H H 573 8.691 8.691 8.730 -0.039 17519
4146 1 8 . 1 1 45 45 TYR N N 574 116.297 116.297 120.959 -4.662 17519
4147 1 8 . 1 1 45 45 TYR HA H 574 5.761 5.761 5.026 0.735 17519
4148 1 8 . 1 1 45 45 TYR C C 574 175.520 175.520 174.298 1.222 17519
4149 1 8 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.210 -0.691 17519
4150 1 8 . 1 1 45 45 TYR CB C 574 41.917 41.917 41.227 0.690 17519
4151 1 8 . 1 1 45 45 TYR H H 574 7.854 7.854 7.712 0.142 17519
4152 1 8 . 1 1 46 46 ALA N N 575 126.117 126.117 123.850 2.267 17519
4153 1 8 . 1 1 46 46 ALA HA H 575 5.407 5.407 5.298 0.109 17519
4154 1 8 . 1 1 46 46 ALA C C 575 176.096 176.096 175.226 0.870 17519
4155 1 8 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.312 0.060 17519
4156 1 8 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.871 2.495 17519
4157 1 8 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.328 0.382 17519
4158 1 8 . 1 1 47 47 LYS C C 576 173.794 173.794 174.575 -0.781 17519
4159 1 8 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.162 0.228 17519
4160 1 8 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.345 0.596 17519
4161 1 8 . 1 1 48 48 ILE N N 577 120.000 120.000 119.857 0.143 17519
4162 1 8 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.594 -0.149 17519
4163 1 8 . 1 1 48 48 ILE C C 577 171.242 171.242 173.147 -1.905 17519
4164 1 8 . 1 1 48 48 ILE CA C 577 60.380 60.380 60.161 0.219 17519
4165 1 8 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.357 -0.041 17519
4166 1 8 . 1 1 48 48 ILE H H 577 8.041 8.041 8.851 -0.810 17519
4167 1 8 . 1 1 49 49 THR N N 578 122.357 122.357 121.037 1.320 17519
4168 1 8 . 1 1 49 49 THR HA H 578 5.344 5.344 5.360 -0.016 17519
4169 1 8 . 1 1 49 49 THR C C 578 173.601 173.601 173.836 -0.235 17519
4170 1 8 . 1 1 49 49 THR CA C 578 61.849 61.849 60.953 0.896 17519
4171 1 8 . 1 1 49 49 THR CB C 578 70.593 70.593 70.979 -0.386 17519
4172 1 8 . 1 1 49 49 THR H H 578 8.043 8.043 8.275 -0.232 17519
4173 1 8 . 1 1 50 50 VAL N N 579 126.489 126.489 125.919 0.570 17519
4174 1 8 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.123 0.017 17519
4175 1 8 . 1 1 50 50 VAL C C 579 174.015 174.015 174.403 -0.388 17519
4176 1 8 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.539 -0.287 17519
4177 1 8 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.206 -0.053 17519
4178 1 8 . 1 1 50 50 VAL H H 579 9.349 9.349 8.425 0.924 17519
4179 1 8 . 1 1 51 51 ASP N N 580 126.891 126.891 127.914 -1.023 17519
4180 1 8 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.064 -0.197 17519
4181 1 8 . 1 1 51 51 ASP C C 580 176.752 176.752 176.244 0.508 17519
4182 1 8 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.980 -0.454 17519
4183 1 8 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.032 0.784 17519
4184 1 8 . 1 1 51 51 ASP H H 580 8.616 8.616 8.482 0.134 17519
4185 1 8 . 1 1 52 52 ILE N N 581 118.893 118.893 118.378 0.515 17519
4186 1 8 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.281 0.307 17519
4187 1 8 . 1 1 52 52 ILE C C 581 176.717 176.717 176.132 0.585 17519
4188 1 8 . 1 1 52 52 ILE CA C 581 60.101 60.101 61.035 -0.934 17519
4189 1 8 . 1 1 52 52 ILE CB C 581 38.055 38.055 39.012 -0.957 17519
4190 1 8 . 1 1 52 52 ILE H H 581 8.627 8.627 7.765 0.862 17519
4191 1 8 . 1 1 53 53 GLY N N 582 114.728 114.728 110.643 4.085 17519
4192 1 8 . 1 1 53 53 GLY C C 582 174.442 174.442 175.440 -0.998 17519
4193 1 8 . 1 1 53 53 GLY CA C 582 47.605 47.605 45.185 2.420 17519
4194 1 8 . 1 1 53 53 GLY H H 582 9.075 9.075 8.072 1.003 17519
4195 1 8 . 1 1 54 54 SER N N 583 120.404 120.404 116.484 3.920 17519
4196 1 8 . 1 1 54 54 SER HA H 583 4.549 4.549 4.046 0.503 17519
4197 1 8 . 1 1 54 54 SER C C 583 175.149 175.149 173.116 2.033 17519
4198 1 8 . 1 1 54 54 SER CA C 583 58.133 58.133 59.369 -1.236 17519
4199 1 8 . 1 1 54 54 SER CB C 583 63.647 63.647 62.683 0.964 17519
4200 1 8 . 1 1 54 54 SER H H 583 8.812 8.812 8.745 0.067 17519
4201 1 8 . 1 1 55 55 ALA N N 584 125.527 125.527 122.237 3.290 17519
4202 1 8 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.703 -0.286 17519
4203 1 8 . 1 1 55 55 ALA C C 584 175.867 175.867 175.654 0.213 17519
4204 1 8 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.608 0.759 17519
4205 1 8 . 1 1 55 55 ALA CB C 584 20.064 20.064 21.497 -1.433 17519
4206 1 8 . 1 1 55 55 ALA H H 584 7.820 7.820 7.528 0.292 17519
4207 1 8 . 1 1 56 56 SER N N 585 109.786 109.786 114.360 -4.574 17519
4208 1 8 . 1 1 56 56 SER HA H 585 4.564 4.564 4.527 0.037 17519
4209 1 8 . 1 1 56 56 SER C C 585 173.978 173.978 173.196 0.782 17519
4210 1 8 . 1 1 56 56 SER CA C 585 58.220 58.220 58.725 -0.505 17519
4211 1 8 . 1 1 56 56 SER CB C 585 64.962 64.962 64.701 0.261 17519
4212 1 8 . 1 1 56 56 SER H H 585 8.785 8.785 8.443 0.342 17519
4213 1 8 . 1 1 57 57 GLN N N 586 116.690 116.690 119.257 -2.567 17519
4214 1 8 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.939 0.208 17519
4215 1 8 . 1 1 57 57 GLN C C 586 172.923 172.923 173.148 -0.225 17519
4216 1 8 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.275 -1.279 17519
4217 1 8 . 1 1 57 57 GLN CB C 586 34.540 34.540 33.133 1.407 17519
4218 1 8 . 1 1 57 57 GLN H H 586 7.144 7.144 7.525 -0.381 17519
4219 1 8 . 1 1 58 58 LEU N N 587 123.011 123.011 123.135 -0.124 17519
4220 1 8 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.044 -0.376 17519
4221 1 8 . 1 1 58 58 LEU C C 587 173.426 173.426 174.275 -0.849 17519
4222 1 8 . 1 1 58 58 LEU CA C 587 53.378 53.378 54.012 -0.634 17519
4223 1 8 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.080 1.578 17519
4224 1 8 . 1 1 58 58 LEU H H 587 9.226 9.226 9.204 0.022 17519
4225 1 8 . 1 1 59 59 GLU N N 588 129.185 129.185 124.399 4.786 17519
4226 1 8 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.239 0.070 17519
4227 1 8 . 1 1 59 59 GLU C C 588 175.409 175.409 174.966 0.443 17519
4228 1 8 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.957 0.693 17519
4229 1 8 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.639 0.409 17519
4230 1 8 . 1 1 59 59 GLU H H 588 8.830 8.830 8.620 0.210 17519
4231 1 8 . 1 1 60 60 ALA N N 589 126.011 126.011 125.232 0.779 17519
4232 1 8 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.203 0.700 17519
4233 1 8 . 1 1 60 60 ALA C C 589 174.861 174.861 175.583 -0.722 17519
4234 1 8 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.404 -0.257 17519
4235 1 8 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.731 2.126 17519
4236 1 8 . 1 1 60 60 ALA H H 589 9.748 9.748 8.446 1.302 17519
4237 1 8 . 1 1 61 61 ALA N N 590 120.783 120.783 125.015 -4.232 17519
4238 1 8 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.383 -0.566 17519
4239 1 8 . 1 1 61 61 ALA C C 590 174.731 174.731 175.278 -0.547 17519
4240 1 8 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.414 0.714 17519
4241 1 8 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.326 0.774 17519
4242 1 8 . 1 1 61 61 ALA H H 590 9.392 9.392 8.871 0.521 17519
4243 1 8 . 1 1 62 62 PHE N N 591 116.572 116.572 118.161 -1.589 17519
4244 1 8 . 1 1 62 62 PHE HA H 591 6.007 6.007 5.011 0.996 17519
4245 1 8 . 1 1 62 62 PHE C C 591 175.059 175.059 174.249 0.810 17519
4246 1 8 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.396 0.060 17519
4247 1 8 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.556 0.767 17519
4248 1 8 . 1 1 62 62 PHE H H 591 8.394 8.394 8.935 -0.541 17519
4249 1 8 . 1 1 63 63 ASN N N 592 116.166 116.166 119.484 -3.318 17519
4250 1 8 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.299 -0.135 17519
4251 1 8 . 1 1 63 63 ASN C C 592 172.073 172.073 174.157 -2.084 17519
4252 1 8 . 1 1 63 63 ASN CA C 592 53.727 53.727 52.252 1.475 17519
4253 1 8 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.858 0.374 17519
4254 1 8 . 1 1 63 63 ASN H H 592 9.117 9.117 8.902 0.215 17519
4255 1 8 . 1 1 64 64 ASP N N 593 118.039 118.039 121.502 -3.463 17519
4256 1 8 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.385 -0.166 17519
4257 1 8 . 1 1 64 64 ASP C C 593 177.248 177.248 177.206 0.042 17519
4258 1 8 . 1 1 64 64 ASP CA C 593 52.251 52.251 54.518 -2.267 17519
4259 1 8 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.064 -0.342 17519
4260 1 8 . 1 1 64 64 ASP H H 593 7.558 7.558 8.436 -0.878 17519
4261 1 8 . 1 1 65 65 GLY N N 594 110.622 110.622 106.321 4.301 17519
4262 1 8 . 1 1 65 65 GLY C C 594 173.126 173.126 173.415 -0.289 17519
4263 1 8 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.115 0.414 17519
4264 1 8 . 1 1 65 65 GLY H H 594 8.742 8.742 8.295 0.447 17519
4265 1 8 . 1 1 66 66 ASN N N 595 120.863 120.863 118.364 2.499 17519
4266 1 8 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.820 -0.063 17519
4267 1 8 . 1 1 66 66 ASN C C 595 174.434 174.434 174.273 0.161 17519
4268 1 8 . 1 1 66 66 ASN CA C 595 52.167 52.167 52.871 -0.704 17519
4269 1 8 . 1 1 66 66 ASN CB C 595 39.388 39.388 39.651 -0.263 17519
4270 1 8 . 1 1 66 66 ASN H H 595 8.424 8.424 7.810 0.614 17519
4271 1 8 . 1 1 67 67 ASN N N 596 113.308 113.308 118.247 -4.939 17519
4272 1 8 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.643 -0.413 17519
4273 1 8 . 1 1 67 67 ASN C C 596 173.796 173.796 174.425 -0.629 17519
4274 1 8 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.390 0.035 17519
4275 1 8 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.046 1.107 17519
4276 1 8 . 1 1 67 67 ASN H H 596 8.744 8.744 8.863 -0.119 17519
4277 1 8 . 1 1 68 68 ASN N N 597 118.418 118.418 118.781 -0.363 17519
4278 1 8 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.993 0.125 17519
4279 1 8 . 1 1 68 68 ASN C C 597 173.474 173.474 173.681 -0.207 17519
4280 1 8 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.197 0.941 17519
4281 1 8 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.483 0.139 17519
4282 1 8 . 1 1 68 68 ASN H H 597 8.032 8.032 8.349 -0.317 17519
4283 1 8 . 1 1 69 69 TRP N N 598 120.990 120.990 121.880 -0.890 17519
4284 1 8 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.105 -0.249 17519
4285 1 8 . 1 1 69 69 TRP C C 598 176.220 176.220 176.357 -0.137 17519
4286 1 8 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.666 0.567 17519
4287 1 8 . 1 1 69 69 TRP CB C 598 32.219 32.219 31.390 0.829 17519
4288 1 8 . 1 1 69 69 TRP H H 598 8.842 8.842 8.386 0.456 17519
4289 1 8 . 1 1 70 70 ASP N N 599 122.210 122.210 120.365 1.845 17519
4290 1 8 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.998 0.249 17519
4291 1 8 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.274 -1.028 17519
4292 1 8 . 1 1 70 70 ASP CB C 599 41.898 41.898 42.823 -0.925 17519
4293 1 8 . 1 1 70 70 ASP H H 599 9.831 9.831 9.225 0.606 17519
4294 1 8 . 1 1 71 71 SER N N 600 117.252 117.252 116.122 1.130 17519
4295 1 8 . 1 1 71 71 SER HA H 600 5.141 5.141 4.489 0.652 17519
4296 1 8 . 1 1 71 71 SER CA C 600 55.907 55.907 61.276 -5.369 17519
4297 1 8 . 1 1 71 71 SER H H 600 9.328 9.328 8.990 0.338 17519
4298 1 8 . 1 1 72 72 ASN N N 601 123.197 123.197 114.574 8.623 17519
4299 1 8 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.733 -0.304 17519
4300 1 8 . 1 1 72 72 ASN C C 601 176.895 176.895 174.913 1.982 17519
4301 1 8 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.672 -1.579 17519
4302 1 8 . 1 1 72 72 ASN CB C 601 39.150 39.150 37.880 1.270 17519
4303 1 8 . 1 1 72 72 ASN H H 601 8.715 8.715 8.529 0.186 17519
4304 1 8 . 1 1 73 73 ASN N N 602 116.099 116.099 116.129 -0.030 17519
4305 1 8 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.852 -0.408 17519
4306 1 8 . 1 1 73 73 ASN C C 602 176.304 176.304 173.777 2.527 17519
4307 1 8 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.292 0.173 17519
4308 1 8 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.931 -1.654 17519
4309 1 8 . 1 1 73 73 ASN H H 602 9.184 9.184 8.501 0.683 17519
4310 1 8 . 1 1 74 74 THR N N 603 110.445 110.445 113.937 -3.492 17519
4311 1 8 . 1 1 74 74 THR HA H 603 3.835 3.835 4.512 -0.677 17519
4312 1 8 . 1 1 74 74 THR C C 603 173.186 173.186 172.455 0.731 17519
4313 1 8 . 1 1 74 74 THR CA C 603 65.006 65.006 62.619 2.387 17519
4314 1 8 . 1 1 74 74 THR CB C 603 69.653 69.653 69.560 0.093 17519
4315 1 8 . 1 1 74 74 THR H H 603 7.829 7.829 7.716 0.113 17519
4316 1 8 . 1 1 75 75 LYS N N 604 121.909 121.909 122.392 -0.483 17519
4317 1 8 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.374 -0.237 17519
4318 1 8 . 1 1 75 75 LYS C C 604 177.262 177.262 175.334 1.928 17519
4319 1 8 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.258 1.509 17519
4320 1 8 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.010 -0.634 17519
4321 1 8 . 1 1 75 75 LYS H H 604 7.714 7.714 7.827 -0.113 17519
4322 1 8 . 1 1 76 76 ASN N N 605 108.823 108.823 119.050 -10.227 17519
4323 1 8 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.418 -0.478 17519
4324 1 8 . 1 1 76 76 ASN C C 605 171.742 171.742 175.068 -3.326 17519
4325 1 8 . 1 1 76 76 ASN CA C 605 54.159 54.159 53.485 0.674 17519
4326 1 8 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.852 0.175 17519
4327 1 8 . 1 1 76 76 ASN H H 605 8.274 8.274 8.127 0.147 17519
4328 1 8 . 1 1 77 77 TYR N N 606 117.628 117.628 116.849 0.779 17519
4329 1 8 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.537 0.290 17519
4330 1 8 . 1 1 77 77 TYR C C 606 174.468 174.468 174.220 0.248 17519
4331 1 8 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.404 0.165 17519
4332 1 8 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.717 0.838 17519
4333 1 8 . 1 1 77 77 TYR H H 606 9.055 9.055 8.535 0.520 17519
4334 1 8 . 1 1 78 78 LEU N N 607 121.811 121.811 121.296 0.515 17519
4335 1 8 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.218 1.085 17519
4336 1 8 . 1 1 78 78 LEU C C 607 175.673 175.673 175.315 0.358 17519
4337 1 8 . 1 1 78 78 LEU CA C 607 53.244 53.244 53.977 -0.734 17519
4338 1 8 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.971 1.000 17519
4339 1 8 . 1 1 78 78 LEU H H 607 7.983 7.983 8.335 -0.352 17519
4340 1 8 . 1 1 79 79 PHE N N 608 121.390 121.390 123.846 -2.456 17519
4341 1 8 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.959 -0.132 17519
4342 1 8 . 1 1 79 79 PHE C C 608 175.786 175.786 174.590 1.196 17519
4343 1 8 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.124 0.727 17519
4344 1 8 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.795 -0.232 17519
4345 1 8 . 1 1 79 79 PHE H H 608 9.240 9.240 8.816 0.424 17519
4346 1 8 . 1 1 80 80 SER N N 609 117.589 117.589 115.636 1.953 17519
4347 1 8 . 1 1 80 80 SER HA H 609 4.979 4.979 4.787 0.192 17519
4348 1 8 . 1 1 80 80 SER C C 609 173.269 173.269 174.520 -1.251 17519
4349 1 8 . 1 1 80 80 SER CA C 609 57.811 57.811 56.312 1.498 17519
4350 1 8 . 1 1 80 80 SER CB C 609 64.856 64.856 64.729 0.127 17519
4351 1 8 . 1 1 80 80 SER H H 609 8.948 8.948 8.622 0.326 17519
4352 1 8 . 1 1 81 81 THR N N 610 112.845 112.845 113.581 -0.736 17519
4353 1 8 . 1 1 81 81 THR HA H 610 3.871 3.871 4.137 -0.266 17519
4354 1 8 . 1 1 81 81 THR C C 610 174.439 174.439 175.389 -0.950 17519
4355 1 8 . 1 1 81 81 THR CA C 610 64.353 64.353 63.330 1.024 17519
4356 1 8 . 1 1 81 81 THR CB C 610 69.421 69.421 69.388 0.033 17519
4357 1 8 . 1 1 82 82 GLY N N 611 112.157 112.157 110.365 1.792 17519
4358 1 8 . 1 1 82 82 GLY C C 611 174.430 174.430 172.777 1.653 17519
4359 1 8 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.792 -0.926 17519
4360 1 8 . 1 1 82 82 GLY H H 611 8.468 8.468 8.127 0.341 17519
4361 1 8 . 1 1 83 83 THR N N 612 120.992 120.992 119.772 1.220 17519
4362 1 8 . 1 1 83 83 THR HA H 612 5.483 5.483 5.046 0.437 17519
4363 1 8 . 1 1 83 83 THR C C 612 174.819 174.819 173.572 1.247 17519
4364 1 8 . 1 1 83 83 THR CA C 612 62.563 62.563 62.190 0.373 17519
4365 1 8 . 1 1 83 83 THR CB C 612 70.093 70.093 70.831 -0.738 17519
4366 1 8 . 1 1 83 83 THR H H 612 8.736 8.736 8.259 0.477 17519
4367 1 8 . 1 1 84 84 SER N N 613 122.602 122.602 120.468 2.134 17519
4368 1 8 . 1 1 84 84 SER HA H 613 5.489 5.489 4.765 0.724 17519
4369 1 8 . 1 1 84 84 SER C C 613 172.064 172.064 172.537 -0.473 17519
4370 1 8 . 1 1 84 84 SER CA C 613 58.813 58.813 56.933 1.880 17519
4371 1 8 . 1 1 84 84 SER CB C 613 67.694 67.694 64.912 2.782 17519
4372 1 8 . 1 1 84 84 SER H H 613 9.051 9.051 9.184 -0.133 17519
4373 1 8 . 1 1 85 85 THR N N 614 117.759 117.759 119.565 -1.806 17519
4374 1 8 . 1 1 85 85 THR HA H 614 5.256 5.256 5.137 0.119 17519
4375 1 8 . 1 1 85 85 THR C C 614 173.632 173.632 172.544 1.088 17519
4376 1 8 . 1 1 85 85 THR CA C 614 62.724 62.724 61.807 0.917 17519
4377 1 8 . 1 1 85 85 THR CB C 614 70.908 70.908 71.168 -0.260 17519
4378 1 8 . 1 1 85 85 THR H H 614 9.523 9.523 8.521 1.002 17519
4379 1 8 . 1 1 86 86 TYR N N 615 131.519 131.519 128.240 3.279 17519
4380 1 8 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.802 0.411 17519
4381 1 8 . 1 1 86 86 TYR C C 615 172.999 172.999 173.198 -0.199 17519
4382 1 8 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.038 1.125 17519
4383 1 8 . 1 1 86 86 TYR CB C 615 41.569 41.569 41.081 0.488 17519
4384 1 8 . 1 1 86 86 TYR H H 615 10.029 10.029 9.635 0.394 17519
4385 1 8 . 1 1 87 87 THR N N 616 124.674 124.674 124.616 0.058 17519
4386 1 8 . 1 1 87 87 THR HA H 616 4.370 4.370 4.464 -0.094 17519
4387 1 8 . 1 1 87 87 THR CA C 616 58.725 58.725 58.703 0.022 17519
4388 1 8 . 1 1 87 87 THR CB C 616 70.070 70.070 69.514 0.556 17519
4389 1 8 . 1 1 87 87 THR H H 616 8.027 8.027 8.485 -0.458 17519
4390 1 8 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.121 -0.029 17519
4391 1 8 . 1 1 88 88 PRO C C 617 177.011 177.011 176.527 0.484 17519
4392 1 8 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.012 0.875 17519
4393 1 8 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.233 0.092 17519
4394 1 8 . 1 1 89 89 GLY N N 618 108.881 108.881 109.447 -0.566 17519
4395 1 8 . 1 1 89 89 GLY C C 618 173.673 173.673 174.386 -0.713 17519
4396 1 8 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.120 -0.124 17519
4397 1 8 . 1 1 89 89 GLY H H 618 8.261 8.261 8.216 0.045 17519
4398 1 8 . 1 1 90 90 SER N N 619 114.743 114.743 117.257 -2.514 17519
4399 1 8 . 1 1 90 90 SER HA H 619 4.537 4.537 4.493 0.044 17519
4400 1 8 . 1 1 90 90 SER C C 619 175.706 175.706 174.372 1.334 17519
4401 1 8 . 1 1 90 90 SER CA C 619 57.617 57.617 57.958 -0.341 17519
4402 1 8 . 1 1 90 90 SER CB C 619 64.294 64.294 62.620 1.674 17519
4403 1 8 . 1 1 90 90 SER H H 619 8.380 8.380 8.522 -0.142 17519
4404 1 8 . 1 1 91 91 ASN N N 620 121.360 121.360 118.232 3.128 17519
4405 1 8 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.582 -0.170 17519
4406 1 8 . 1 1 91 91 ASN C C 620 175.289 175.289 175.977 -0.688 17519
4407 1 8 . 1 1 91 91 ASN CA C 620 54.353 54.353 54.493 -0.140 17519
4408 1 8 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.670 -0.937 17519
4409 1 8 . 1 1 91 91 ASN H H 620 9.296 9.296 8.173 1.123 17519
4410 1 8 . 1 1 92 92 GLY N N 621 105.883 105.883 108.375 -2.492 17519
4411 1 8 . 1 1 92 92 GLY C C 621 174.510 174.510 173.301 1.209 17519
4412 1 8 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.641 -0.412 17519
4413 1 8 . 1 1 92 92 GLY H H 621 8.528 8.528 9.013 -0.485 17519
4414 1 8 . 1 1 93 93 ALA N N 622 123.803 123.803 123.995 -0.192 17519
4415 1 8 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.677 -0.261 17519
4416 1 8 . 1 1 93 93 ALA C C 622 176.820 176.820 176.391 0.429 17519
4417 1 8 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.408 1.443 17519
4418 1 8 . 1 1 93 93 ALA CB C 622 19.804 19.804 19.989 -0.185 17519
4419 1 8 . 1 1 93 93 ALA H H 622 7.486 7.486 7.839 -0.353 17519
4420 1 8 . 1 1 94 94 ALA N N 623 123.284 123.284 127.590 -4.306 17519
4421 1 8 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.332 0.258 17519
4422 1 8 . 1 1 94 94 ALA C C 623 178.770 178.770 177.875 0.895 17519
4423 1 8 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.778 -0.151 17519
4424 1 8 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.681 0.406 17519
4425 1 8 . 1 1 94 94 ALA H H 623 8.397 8.397 8.690 -0.293 17519
4426 1 8 . 1 1 95 95 GLY N N 624 108.970 108.970 107.706 1.264 17519
4427 1 8 . 1 1 95 95 GLY C C 624 173.156 173.156 173.333 -0.177 17519
4428 1 8 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.644 0.213 17519
4429 1 8 . 1 1 95 95 GLY H H 624 8.438 8.438 8.483 -0.045 17519
4430 1 8 . 1 1 96 96 THR N N 625 108.929 108.929 110.420 -1.491 17519
4431 1 8 . 1 1 96 96 THR HA H 625 4.603 4.603 4.594 0.009 17519
4432 1 8 . 1 1 96 96 THR C C 625 172.765 172.765 172.678 0.087 17519
4433 1 8 . 1 1 96 96 THR CA C 625 60.350 60.350 60.770 -0.420 17519
4434 1 8 . 1 1 96 96 THR CB C 625 72.295 72.295 72.043 0.252 17519
4435 1 8 . 1 1 96 96 THR H H 625 7.833 7.833 7.577 0.256 17519
4436 1 8 . 1 1 97 97 ILE N N 626 123.623 123.623 120.104 3.519 17519
4437 1 8 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.049 -0.232 17519
4438 1 8 . 1 1 97 97 ILE C C 626 175.596 175.596 175.532 0.064 17519
4439 1 8 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.807 1.242 17519
4440 1 8 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.726 1.452 17519
4441 1 8 . 1 1 97 97 ILE H H 626 8.594 8.594 8.340 0.254 17519
4442 1 8 . 1 1 98 98 ARG N N 627 127.431 127.431 127.752 -0.321 17519
4443 1 8 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.684 0.251 17519
4444 1 8 . 1 1 98 98 ARG C C 627 175.183 175.183 175.521 -0.338 17519
4445 1 8 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.038 -0.270 17519
4446 1 8 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.347 1.429 17519
4447 1 8 . 1 1 98 98 ARG H H 627 8.979 8.979 8.863 0.116 17519
4448 1 8 . 1 1 99 99 THR N N 628 118.452 118.452 118.235 0.217 17519
4449 1 8 . 1 1 99 99 THR HA H 628 4.410 4.410 4.355 0.055 17519
4450 1 8 . 1 1 99 99 THR C C 628 174.845 174.845 175.020 -0.175 17519
4451 1 8 . 1 1 99 99 THR CA C 628 63.962 63.962 62.021 1.941 17519
4452 1 8 . 1 1 99 99 THR CB C 628 69.488 69.488 69.216 0.272 17519
4453 1 8 . 1 1 99 99 THR H H 628 8.697 8.697 8.484 0.213 17519
4454 1 8 . 1 1 100 100 GLY N N 629 114.137 114.137 110.708 3.429 17519
4455 1 8 . 1 1 100 100 GLY C C 629 171.903 171.903 173.155 -1.252 17519
4456 1 8 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.228 -0.481 17519
4457 1 8 . 1 1 100 100 GLY H H 629 8.626 8.626 8.074 0.552 17519
4458 1 8 . 1 1 101 101 ALA N N 630 120.627 120.627 124.433 -3.806 17519
4459 1 8 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.113 -0.421 17519
4460 1 8 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.813 -1.385 17519
4461 1 8 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.803 -0.732 17519
4462 1 8 . 1 1 101 101 ALA H H 630 7.980 7.980 8.089 -0.109 17519
4463 1 8 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.291 -0.166 17519
4464 1 8 . 1 1 102 102 PRO C C 631 175.721 175.721 175.951 -0.230 17519
4465 1 8 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.329 0.611 17519
4466 1 8 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.827 -1.082 17519
4467 1 8 . 1 1 103 103 SER N N 632 113.689 113.689 116.874 -3.185 17519
4468 1 8 . 1 1 103 103 SER HA H 632 4.295 4.295 4.484 -0.189 17519
4469 1 8 . 1 1 103 103 SER C C 632 173.816 173.816 174.336 -0.520 17519
4470 1 8 . 1 1 103 103 SER CA C 632 57.689 57.689 58.374 -0.685 17519
4471 1 8 . 1 1 103 103 SER CB C 632 64.133 64.133 63.904 0.230 17519
4472 1 8 . 1 1 103 103 SER H H 632 7.969 7.969 8.219 -0.250 17519
4473 1 9 . 1 1 2 2 GLY C C 531 174.309 174.309 175.054 -0.745 17519
4474 1 9 . 1 1 2 2 GLY CA C 531 45.176 45.176 46.284 -1.108 17519
4475 1 9 . 1 1 3 3 THR N N 532 113.802 113.802 113.851 -0.049 17519
4476 1 9 . 1 1 3 3 THR HA H 532 4.429 4.429 3.927 0.502 17519
4477 1 9 . 1 1 3 3 THR C C 532 174.430 174.430 175.094 -0.664 17519
4478 1 9 . 1 1 3 3 THR CA C 532 61.577 61.577 63.720 -2.143 17519
4479 1 9 . 1 1 3 3 THR CB C 532 69.849 69.849 66.842 3.007 17519
4480 1 9 . 1 1 3 3 THR H H 532 8.140 8.140 7.758 0.382 17519
4481 1 9 . 1 1 4 4 THR N N 533 115.407 115.407 115.146 0.261 17519
4482 1 9 . 1 1 4 4 THR HA H 533 4.350 4.350 4.189 0.161 17519
4483 1 9 . 1 1 4 4 THR C C 533 173.831 173.831 174.417 -0.586 17519
4484 1 9 . 1 1 4 4 THR CA C 533 60.266 60.266 64.949 -4.683 17519
4485 1 9 . 1 1 4 4 THR CB C 533 69.788 69.788 69.331 0.457 17519
4486 1 9 . 1 1 4 4 THR H H 533 8.019 8.019 7.849 0.170 17519
4487 1 9 . 1 1 5 5 ASN N N 534 121.822 121.822 118.427 3.395 17519
4488 1 9 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.018 -0.182 17519
4489 1 9 . 1 1 5 5 ASN C C 534 174.057 174.057 173.591 0.466 17519
4490 1 9 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.760 -0.074 17519
4491 1 9 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.541 -1.385 17519
4492 1 9 . 1 1 5 5 ASN H H 534 8.863 8.863 8.238 0.625 17519
4493 1 9 . 1 1 6 6 LYS N N 535 119.369 119.369 118.692 0.677 17519
4494 1 9 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.001 0.184 17519
4495 1 9 . 1 1 6 6 LYS C C 535 175.924 175.924 174.976 0.948 17519
4496 1 9 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.183 -0.652 17519
4497 1 9 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.334 -0.318 17519
4498 1 9 . 1 1 6 6 LYS H H 535 8.347 8.347 8.317 0.030 17519
4499 1 9 . 1 1 7 7 VAL N N 536 123.112 123.112 119.145 3.967 17519
4500 1 9 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.598 -0.025 17519
4501 1 9 . 1 1 7 7 VAL C C 536 174.602 174.602 174.963 -0.361 17519
4502 1 9 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.519 0.626 17519
4503 1 9 . 1 1 7 7 VAL CB C 536 34.773 34.773 31.865 2.908 17519
4504 1 9 . 1 1 7 7 VAL H H 536 8.828 8.828 9.093 -0.265 17519
4505 1 9 . 1 1 8 8 THR N N 537 125.255 125.255 124.937 0.318 17519
4506 1 9 . 1 1 8 8 THR HA H 537 5.396 5.396 5.248 0.148 17519
4507 1 9 . 1 1 8 8 THR C C 537 173.129 173.129 173.893 -0.764 17519
4508 1 9 . 1 1 8 8 THR CA C 537 61.611 61.611 62.851 -1.240 17519
4509 1 9 . 1 1 8 8 THR CB C 537 70.113 70.113 70.097 0.016 17519
4510 1 9 . 1 1 8 8 THR H H 537 8.914 8.914 8.364 0.550 17519
4511 1 9 . 1 1 9 9 VAL N N 538 126.696 126.696 126.237 0.459 17519
4512 1 9 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.659 -0.125 17519
4513 1 9 . 1 1 9 9 VAL C C 538 175.565 175.565 174.486 1.079 17519
4514 1 9 . 1 1 9 9 VAL CA C 538 60.879 60.879 61.209 -0.329 17519
4515 1 9 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.952 0.227 17519
4516 1 9 . 1 1 9 9 VAL H H 538 8.585 8.585 8.960 -0.375 17519
4517 1 9 . 1 1 10 10 TYR N N 539 124.488 124.488 126.636 -2.148 17519
4518 1 9 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.398 -0.140 17519
4519 1 9 . 1 1 10 10 TYR C C 539 174.309 174.309 175.101 -0.792 17519
4520 1 9 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.287 0.979 17519
4521 1 9 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.006 0.404 17519
4522 1 9 . 1 1 10 10 TYR H H 539 9.111 9.111 9.021 0.090 17519
4523 1 9 . 1 1 11 11 TYR N N 540 125.848 125.848 127.087 -1.239 17519
4524 1 9 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.708 -0.682 17519
4525 1 9 . 1 1 11 11 TYR C C 540 173.346 173.346 173.910 -0.564 17519
4526 1 9 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.593 1.009 17519
4527 1 9 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.639 0.319 17519
4528 1 9 . 1 1 11 11 TYR H H 540 9.580 9.580 9.064 0.516 17519
4529 1 9 . 1 1 12 12 LYS N N 541 131.489 131.489 127.526 3.963 17519
4530 1 9 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.616 -0.164 17519
4531 1 9 . 1 1 12 12 LYS C C 541 172.904 172.904 174.859 -1.955 17519
4532 1 9 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.819 0.896 17519
4533 1 9 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.160 -0.063 17519
4534 1 9 . 1 1 12 12 LYS H H 541 8.406 8.406 7.569 0.837 17519
4535 1 9 . 1 1 13 13 LYS N N 542 125.132 125.132 127.763 -2.631 17519
4536 1 9 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.439 -0.501 17519
4537 1 9 . 1 1 13 13 LYS C C 542 180.078 180.078 176.056 4.022 17519
4538 1 9 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.541 -4.105 17519
4539 1 9 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.905 -1.300 17519
4540 1 9 . 1 1 13 13 LYS H H 542 7.515 7.515 7.818 -0.303 17519
4541 1 9 . 1 1 14 14 GLY N N 543 112.724 112.724 113.028 -0.304 17519
4542 1 9 . 1 1 14 14 GLY C C 543 174.151 174.151 172.726 1.425 17519
4543 1 9 . 1 1 14 14 GLY CA C 543 46.290 46.290 45.090 1.200 17519
4544 1 9 . 1 1 14 14 GLY H H 543 7.629 7.629 8.064 -0.435 17519
4545 1 9 . 1 1 15 15 PHE N N 544 121.583 121.583 120.841 0.742 17519
4546 1 9 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.778 -0.056 17519
4547 1 9 . 1 1 15 15 PHE C C 544 175.876 175.876 175.088 0.788 17519
4548 1 9 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.400 -1.290 17519
4549 1 9 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.964 -2.573 17519
4550 1 9 . 1 1 15 15 PHE H H 544 8.557 8.557 8.476 0.081 17519
4551 1 9 . 1 1 16 16 ASN N N 545 117.559 117.559 116.880 0.679 17519
4552 1 9 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.907 -0.443 17519
4553 1 9 . 1 1 16 16 ASN C C 545 176.289 176.289 173.867 2.422 17519
4554 1 9 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.229 3.191 17519
4555 1 9 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.482 -0.219 17519
4556 1 9 . 1 1 16 16 ASN H H 545 8.561 8.561 8.311 0.250 17519
4557 1 9 . 1 1 17 17 SER N N 546 112.901 112.901 113.055 -0.154 17519
4558 1 9 . 1 1 17 17 SER HA H 546 4.862 4.862 4.290 0.572 17519
4559 1 9 . 1 1 17 17 SER CA C 546 53.586 53.586 57.773 -4.187 17519
4560 1 9 . 1 1 17 17 SER CB C 546 63.708 63.708 61.861 1.847 17519
4561 1 9 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.384 0.209 17519
4562 1 9 . 1 1 18 18 PRO C C 547 175.806 175.806 175.326 0.480 17519
4563 1 9 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.368 0.153 17519
4564 1 9 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.520 0.143 17519
4565 1 9 . 1 1 19 19 TYR N N 548 122.230 122.230 116.908 5.322 17519
4566 1 9 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.514 0.363 17519
4567 1 9 . 1 1 19 19 TYR C C 548 174.660 174.660 174.923 -0.263 17519
4568 1 9 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.951 -1.291 17519
4569 1 9 . 1 1 19 19 TYR CB C 548 40.462 40.462 41.917 -1.455 17519
4570 1 9 . 1 1 19 19 TYR H H 548 9.141 9.141 8.679 0.462 17519
4571 1 9 . 1 1 20 20 ILE N N 549 118.425 118.425 120.730 -2.305 17519
4572 1 9 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.663 0.409 17519
4573 1 9 . 1 1 20 20 ILE C C 549 171.422 171.422 174.157 -2.735 17519
4574 1 9 . 1 1 20 20 ILE CA C 549 58.429 58.429 59.573 -1.144 17519
4575 1 9 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.168 0.588 17519
4576 1 9 . 1 1 21 21 HIS N N 550 133.248 133.248 125.358 7.890 17519
4577 1 9 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.679 0.684 17519
4578 1 9 . 1 1 21 21 HIS C C 550 174.988 174.988 173.335 1.653 17519
4579 1 9 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.074 -0.159 17519
4580 1 9 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.678 2.096 17519
4581 1 9 . 1 1 21 21 HIS H H 550 8.956 8.956 8.459 0.497 17519
4582 1 9 . 1 1 22 22 TYR N N 551 121.831 121.831 122.452 -0.621 17519
4583 1 9 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.231 0.952 17519
4584 1 9 . 1 1 22 22 TYR C C 551 173.934 173.934 173.271 0.663 17519
4585 1 9 . 1 1 22 22 TYR CA C 551 56.668 56.668 55.311 1.357 17519
4586 1 9 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.479 1.239 17519
4587 1 9 . 1 1 22 22 TYR H H 551 8.204 8.204 8.016 0.188 17519
4588 1 9 . 1 1 23 23 ARG N N 552 115.619 115.619 118.626 -3.007 17519
4589 1 9 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.679 0.083 17519
4590 1 9 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.549 -0.069 17519
4591 1 9 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.212 -1.174 17519
4592 1 9 . 1 1 23 23 ARG H H 552 8.674 8.674 8.843 -0.169 17519
4593 1 9 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.510 0.046 17519
4594 1 9 . 1 1 24 24 PRO C C 553 176.736 176.736 176.541 0.195 17519
4595 1 9 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.478 -0.126 17519
4596 1 9 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.665 -0.785 17519
4597 1 9 . 1 1 25 25 ALA N N 554 125.908 125.908 126.136 -0.228 17519
4598 1 9 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.922 0.100 17519
4599 1 9 . 1 1 25 25 ALA C C 554 179.217 179.217 177.990 1.227 17519
4600 1 9 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.558 -0.473 17519
4601 1 9 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.915 -0.683 17519
4602 1 9 . 1 1 25 25 ALA H H 554 8.293 8.293 8.166 0.127 17519
4603 1 9 . 1 1 26 26 GLY N N 555 111.766 111.766 105.893 5.873 17519
4604 1 9 . 1 1 26 26 GLY C C 555 174.796 174.796 173.575 1.221 17519
4605 1 9 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.728 0.913 17519
4606 1 9 . 1 1 26 26 GLY H H 555 8.602 8.602 8.134 0.468 17519
4607 1 9 . 1 1 27 27 GLY N N 556 109.512 109.512 111.267 -1.755 17519
4608 1 9 . 1 1 27 27 GLY C C 556 173.368 173.368 173.181 0.187 17519
4609 1 9 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.555 -1.349 17519
4610 1 9 . 1 1 27 27 GLY H H 556 8.494 8.494 7.915 0.579 17519
4611 1 9 . 1 1 28 28 SER N N 557 117.962 117.962 114.675 3.287 17519
4612 1 9 . 1 1 28 28 SER HA H 557 4.690 4.690 4.582 0.108 17519
4613 1 9 . 1 1 28 28 SER C C 557 173.656 173.656 172.435 1.221 17519
4614 1 9 . 1 1 28 28 SER CA C 557 57.492 57.492 57.060 0.432 17519
4615 1 9 . 1 1 28 28 SER CB C 557 64.803 64.803 64.315 0.488 17519
4616 1 9 . 1 1 28 28 SER H H 557 8.681 8.681 7.691 0.990 17519
4617 1 9 . 1 1 29 29 TRP N N 558 123.928 123.928 121.644 2.284 17519
4618 1 9 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.723 -0.271 17519
4619 1 9 . 1 1 29 29 TRP C C 558 178.891 178.891 176.798 2.093 17519
4620 1 9 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.652 1.422 17519
4621 1 9 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.369 0.337 17519
4622 1 9 . 1 1 29 29 TRP H H 558 8.392 8.392 8.638 -0.246 17519
4623 1 9 . 1 1 30 30 THR N N 559 111.067 111.067 120.024 -8.957 17519
4624 1 9 . 1 1 30 30 THR HA H 559 4.037 4.037 4.238 -0.201 17519
4625 1 9 . 1 1 30 30 THR C C 559 174.782 174.782 174.604 0.178 17519
4626 1 9 . 1 1 30 30 THR CA C 559 61.321 61.321 63.852 -2.531 17519
4627 1 9 . 1 1 30 30 THR CB C 559 70.561 70.561 69.756 0.805 17519
4628 1 9 . 1 1 30 30 THR H H 559 7.953 7.953 8.430 -0.477 17519
4629 1 9 . 1 1 31 31 ALA N N 560 123.046 123.046 124.530 -1.484 17519
4630 1 9 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.170 0.281 17519
4631 1 9 . 1 1 31 31 ALA C C 560 178.493 178.493 176.632 1.861 17519
4632 1 9 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.410 -0.496 17519
4633 1 9 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.687 -0.688 17519
4634 1 9 . 1 1 31 31 ALA H H 560 8.437 8.437 8.385 0.052 17519
4635 1 9 . 1 1 32 32 ALA N N 561 129.644 129.644 127.826 1.818 17519
4636 1 9 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.940 0.001 17519
4637 1 9 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.884 1.872 17519
4638 1 9 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.442 -2.292 17519
4639 1 9 . 1 1 32 32 ALA H H 561 8.828 8.828 8.209 0.619 17519
4640 1 9 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.307 -0.409 17519
4641 1 9 . 1 1 33 33 PRO C C 562 173.280 173.280 176.757 -3.477 17519
4642 1 9 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.039 1.400 17519
4643 1 9 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.480 0.031 17519
4644 1 9 . 1 1 34 34 GLY N N 563 112.224 112.224 109.815 2.409 17519
4645 1 9 . 1 1 34 34 GLY C C 563 173.977 173.977 174.324 -0.347 17519
4646 1 9 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.897 -1.948 17519
4647 1 9 . 1 1 34 34 GLY H H 563 8.763 8.763 7.731 1.032 17519
4648 1 9 . 1 1 35 35 VAL N N 564 123.427 123.427 117.591 5.836 17519
4649 1 9 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.411 -0.010 17519
4650 1 9 . 1 1 35 35 VAL C C 564 174.734 174.734 174.425 0.309 17519
4651 1 9 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.049 0.839 17519
4652 1 9 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.878 -0.977 17519
4653 1 9 . 1 1 36 36 LYS N N 565 128.212 128.212 124.082 4.130 17519
4654 1 9 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.777 -0.668 17519
4655 1 9 . 1 1 36 36 LYS C C 565 176.437 176.437 176.194 0.243 17519
4656 1 9 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.425 1.762 17519
4657 1 9 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.230 0.184 17519
4658 1 9 . 1 1 36 36 LYS H H 565 8.486 8.486 8.369 0.117 17519
4659 1 9 . 1 1 37 37 MET N N 566 124.964 124.964 124.132 0.832 17519
4660 1 9 . 1 1 37 37 MET HA H 566 4.228 4.228 4.112 0.116 17519
4661 1 9 . 1 1 37 37 MET C C 566 175.652 175.652 175.705 -0.053 17519
4662 1 9 . 1 1 37 37 MET CA C 566 56.485 56.485 56.796 -0.311 17519
4663 1 9 . 1 1 37 37 MET CB C 566 35.011 35.011 31.892 3.119 17519
4664 1 9 . 1 1 37 37 MET H H 566 8.202 8.202 8.369 -0.167 17519
4665 1 9 . 1 1 38 38 GLN N N 567 121.561 121.561 124.855 -3.294 17519
4666 1 9 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.349 0.088 17519
4667 1 9 . 1 1 38 38 GLN C C 567 175.809 175.809 175.812 -0.003 17519
4668 1 9 . 1 1 38 38 GLN CA C 567 54.822 54.822 55.304 -0.482 17519
4669 1 9 . 1 1 38 38 GLN CB C 567 30.182 30.182 29.304 0.878 17519
4670 1 9 . 1 1 38 38 GLN H H 567 8.489 8.489 8.221 0.268 17519
4671 1 9 . 1 1 39 39 ASP N N 568 121.881 121.881 124.651 -2.770 17519
4672 1 9 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.371 0.412 17519
4673 1 9 . 1 1 39 39 ASP C C 568 176.715 176.715 174.874 1.841 17519
4674 1 9 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.417 0.750 17519
4675 1 9 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.217 -0.978 17519
4676 1 9 . 1 1 39 39 ASP H H 568 8.780 8.780 8.332 0.448 17519
4677 1 9 . 1 1 40 40 ALA N N 569 122.696 122.696 126.031 -3.335 17519
4678 1 9 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.223 0.129 17519
4679 1 9 . 1 1 40 40 ALA C C 569 175.165 175.165 177.074 -1.909 17519
4680 1 9 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.399 -0.906 17519
4681 1 9 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.331 1.404 17519
4682 1 9 . 1 1 40 40 ALA H H 569 8.463 8.463 8.240 0.223 17519
4683 1 9 . 1 1 41 41 GLU N N 570 120.083 120.083 116.804 3.279 17519
4684 1 9 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.423 -0.072 17519
4685 1 9 . 1 1 41 41 GLU C C 570 174.683 174.683 177.303 -2.620 17519
4686 1 9 . 1 1 41 41 GLU CA C 570 57.525 57.525 57.036 0.489 17519
4687 1 9 . 1 1 41 41 GLU CB C 570 27.231 27.231 29.720 -2.489 17519
4688 1 9 . 1 1 41 41 GLU H H 570 10.398 10.398 8.646 1.752 17519
4689 1 9 . 1 1 42 42 ILE N N 571 119.363 119.363 120.470 -1.107 17519
4690 1 9 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.037 0.342 17519
4691 1 9 . 1 1 42 42 ILE C C 571 174.913 174.913 176.086 -1.173 17519
4692 1 9 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.975 -3.155 17519
4693 1 9 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.248 1.338 17519
4694 1 9 . 1 1 42 42 ILE H H 571 6.526 6.526 7.786 -1.260 17519
4695 1 9 . 1 1 43 43 SER N N 572 121.258 121.258 114.364 6.894 17519
4696 1 9 . 1 1 43 43 SER HA H 572 4.352 4.352 4.275 0.077 17519
4697 1 9 . 1 1 43 43 SER C C 572 175.617 175.617 174.611 1.006 17519
4698 1 9 . 1 1 43 43 SER CA C 572 60.125 60.125 58.505 1.620 17519
4699 1 9 . 1 1 43 43 SER CB C 572 63.063 63.063 62.793 0.270 17519
4700 1 9 . 1 1 43 43 SER H H 572 8.618 8.618 8.139 0.479 17519
4701 1 9 . 1 1 44 44 GLY N N 573 111.836 111.836 111.778 0.058 17519
4702 1 9 . 1 1 44 44 GLY C C 573 173.828 173.828 173.256 0.572 17519
4703 1 9 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.031 -0.176 17519
4704 1 9 . 1 1 44 44 GLY H H 573 8.691 8.691 8.887 -0.196 17519
4705 1 9 . 1 1 45 45 TYR N N 574 116.297 116.297 120.612 -4.315 17519
4706 1 9 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.813 0.948 17519
4707 1 9 . 1 1 45 45 TYR C C 574 175.520 175.520 174.276 1.244 17519
4708 1 9 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.231 -0.712 17519
4709 1 9 . 1 1 45 45 TYR CB C 574 41.917 41.917 41.224 0.693 17519
4710 1 9 . 1 1 45 45 TYR H H 574 7.854 7.854 7.531 0.323 17519
4711 1 9 . 1 1 46 46 ALA N N 575 126.117 126.117 122.762 3.355 17519
4712 1 9 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.688 0.719 17519
4713 1 9 . 1 1 46 46 ALA C C 575 176.096 176.096 174.930 1.166 17519
4714 1 9 . 1 1 46 46 ALA CA C 575 50.372 50.372 51.099 -0.727 17519
4715 1 9 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.224 3.142 17519
4716 1 9 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.485 0.225 17519
4717 1 9 . 1 1 47 47 LYS C C 576 173.794 173.794 174.747 -0.953 17519
4718 1 9 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.305 0.085 17519
4719 1 9 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.439 0.502 17519
4720 1 9 . 1 1 48 48 ILE N N 577 120.000 120.000 121.470 -1.470 17519
4721 1 9 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.689 -0.244 17519
4722 1 9 . 1 1 48 48 ILE C C 577 171.242 171.242 173.296 -2.054 17519
4723 1 9 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.055 1.325 17519
4724 1 9 . 1 1 48 48 ILE CB C 577 42.316 42.316 41.849 0.467 17519
4725 1 9 . 1 1 48 48 ILE H H 577 8.041 8.041 8.998 -0.957 17519
4726 1 9 . 1 1 49 49 THR N N 578 122.357 122.357 122.151 0.206 17519
4727 1 9 . 1 1 49 49 THR HA H 578 5.344 5.344 5.402 -0.058 17519
4728 1 9 . 1 1 49 49 THR C C 578 173.601 173.601 173.950 -0.349 17519
4729 1 9 . 1 1 49 49 THR CA C 578 61.849 61.849 60.669 1.180 17519
4730 1 9 . 1 1 49 49 THR CB C 578 70.593 70.593 70.603 -0.010 17519
4731 1 9 . 1 1 49 49 THR H H 578 8.043 8.043 8.306 -0.263 17519
4732 1 9 . 1 1 50 50 VAL N N 579 126.489 126.489 125.267 1.222 17519
4733 1 9 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.197 -0.057 17519
4734 1 9 . 1 1 50 50 VAL C C 579 174.015 174.015 174.228 -0.213 17519
4735 1 9 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.581 -0.329 17519
4736 1 9 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.148 0.005 17519
4737 1 9 . 1 1 50 50 VAL H H 579 9.349 9.349 8.371 0.978 17519
4738 1 9 . 1 1 51 51 ASP N N 580 126.891 126.891 127.506 -0.615 17519
4739 1 9 . 1 1 51 51 ASP HA H 580 4.867 4.867 4.970 -0.103 17519
4740 1 9 . 1 1 51 51 ASP C C 580 176.752 176.752 175.962 0.790 17519
4741 1 9 . 1 1 51 51 ASP CA C 580 53.526 53.526 54.030 -0.504 17519
4742 1 9 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.924 -0.108 17519
4743 1 9 . 1 1 51 51 ASP H H 580 8.616 8.616 8.627 -0.011 17519
4744 1 9 . 1 1 52 52 ILE N N 581 118.893 118.893 119.343 -0.450 17519
4745 1 9 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.667 -0.079 17519
4746 1 9 . 1 1 52 52 ILE C C 581 176.717 176.717 175.542 1.175 17519
4747 1 9 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.544 0.557 17519
4748 1 9 . 1 1 52 52 ILE CB C 581 38.055 38.055 37.948 0.107 17519
4749 1 9 . 1 1 52 52 ILE H H 581 8.627 8.627 7.950 0.677 17519
4750 1 9 . 1 1 53 53 GLY N N 582 114.728 114.728 111.184 3.544 17519
4751 1 9 . 1 1 53 53 GLY C C 582 174.442 174.442 175.099 -0.657 17519
4752 1 9 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.973 0.632 17519
4753 1 9 . 1 1 53 53 GLY H H 582 9.075 9.075 8.789 0.286 17519
4754 1 9 . 1 1 54 54 SER N N 583 120.404 120.404 115.175 5.229 17519
4755 1 9 . 1 1 54 54 SER HA H 583 4.549 4.549 4.579 -0.030 17519
4756 1 9 . 1 1 54 54 SER C C 583 175.149 175.149 172.367 2.782 17519
4757 1 9 . 1 1 54 54 SER CA C 583 58.133 58.133 57.782 0.351 17519
4758 1 9 . 1 1 54 54 SER CB C 583 63.647 63.647 63.102 0.545 17519
4759 1 9 . 1 1 54 54 SER H H 583 8.812 8.812 8.293 0.519 17519
4760 1 9 . 1 1 55 55 ALA N N 584 125.527 125.527 122.162 3.365 17519
4761 1 9 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.608 -0.191 17519
4762 1 9 . 1 1 55 55 ALA C C 584 175.867 175.867 175.399 0.468 17519
4763 1 9 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.151 0.216 17519
4764 1 9 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.424 -0.360 17519
4765 1 9 . 1 1 55 55 ALA H H 584 7.820 7.820 7.774 0.046 17519
4766 1 9 . 1 1 56 56 SER N N 585 109.786 109.786 114.306 -4.520 17519
4767 1 9 . 1 1 56 56 SER HA H 585 4.564 4.564 4.546 0.018 17519
4768 1 9 . 1 1 56 56 SER C C 585 173.978 173.978 173.890 0.088 17519
4769 1 9 . 1 1 56 56 SER CA C 585 58.220 58.220 58.978 -0.758 17519
4770 1 9 . 1 1 56 56 SER CB C 585 64.962 64.962 63.943 1.019 17519
4771 1 9 . 1 1 56 56 SER H H 585 8.785 8.785 8.603 0.182 17519
4772 1 9 . 1 1 57 57 GLN N N 586 116.690 116.690 118.524 -1.834 17519
4773 1 9 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.892 0.256 17519
4774 1 9 . 1 1 57 57 GLN C C 586 172.923 172.923 173.203 -0.280 17519
4775 1 9 . 1 1 57 57 GLN CA C 586 53.996 53.996 54.568 -0.572 17519
4776 1 9 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.745 1.795 17519
4777 1 9 . 1 1 57 57 GLN H H 586 7.144 7.144 7.557 -0.413 17519
4778 1 9 . 1 1 58 58 LEU N N 587 123.011 123.011 123.640 -0.629 17519
4779 1 9 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.144 -0.476 17519
4780 1 9 . 1 1 58 58 LEU C C 587 173.426 173.426 174.305 -0.879 17519
4781 1 9 . 1 1 58 58 LEU CA C 587 53.378 53.378 52.979 0.399 17519
4782 1 9 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.197 1.461 17519
4783 1 9 . 1 1 58 58 LEU H H 587 9.226 9.226 9.188 0.038 17519
4784 1 9 . 1 1 59 59 GLU N N 588 129.185 129.185 123.022 6.163 17519
4785 1 9 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.338 -0.029 17519
4786 1 9 . 1 1 59 59 GLU C C 588 175.409 175.409 174.757 0.652 17519
4787 1 9 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.794 0.856 17519
4788 1 9 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.681 -0.633 17519
4789 1 9 . 1 1 59 59 GLU H H 588 8.830 8.830 8.894 -0.064 17519
4790 1 9 . 1 1 60 60 ALA N N 589 126.011 126.011 124.086 1.925 17519
4791 1 9 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.297 0.606 17519
4792 1 9 . 1 1 60 60 ALA C C 589 174.861 174.861 175.567 -0.706 17519
4793 1 9 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.303 -0.157 17519
4794 1 9 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.032 1.825 17519
4795 1 9 . 1 1 60 60 ALA H H 589 9.748 9.748 8.524 1.224 17519
4796 1 9 . 1 1 61 61 ALA N N 590 120.783 120.783 122.878 -2.095 17519
4797 1 9 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.932 -0.115 17519
4798 1 9 . 1 1 61 61 ALA C C 590 174.731 174.731 174.945 -0.214 17519
4799 1 9 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.752 0.376 17519
4800 1 9 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.319 0.781 17519
4801 1 9 . 1 1 61 61 ALA H H 590 9.392 9.392 8.611 0.781 17519
4802 1 9 . 1 1 62 62 PHE N N 591 116.572 116.572 117.301 -0.729 17519
4803 1 9 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.875 1.132 17519
4804 1 9 . 1 1 62 62 PHE C C 591 175.059 175.059 174.554 0.505 17519
4805 1 9 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.963 -0.507 17519
4806 1 9 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.728 0.595 17519
4807 1 9 . 1 1 62 62 PHE H H 591 8.394 8.394 8.769 -0.375 17519
4808 1 9 . 1 1 63 63 ASN N N 592 116.166 116.166 118.476 -2.310 17519
4809 1 9 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.061 0.103 17519
4810 1 9 . 1 1 63 63 ASN C C 592 172.073 172.073 173.828 -1.755 17519
4811 1 9 . 1 1 63 63 ASN CA C 592 53.727 53.727 52.531 1.196 17519
4812 1 9 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.520 0.712 17519
4813 1 9 . 1 1 63 63 ASN H H 592 9.117 9.117 8.789 0.328 17519
4814 1 9 . 1 1 64 64 ASP N N 593 118.039 118.039 122.587 -4.548 17519
4815 1 9 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.451 -0.232 17519
4816 1 9 . 1 1 64 64 ASP C C 593 177.248 177.248 177.160 0.088 17519
4817 1 9 . 1 1 64 64 ASP CA C 593 52.251 52.251 53.859 -1.609 17519
4818 1 9 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.249 -0.527 17519
4819 1 9 . 1 1 64 64 ASP H H 593 7.558 7.558 8.062 -0.504 17519
4820 1 9 . 1 1 65 65 GLY N N 594 110.622 110.622 106.973 3.649 17519
4821 1 9 . 1 1 65 65 GLY C C 594 173.126 173.126 173.837 -0.711 17519
4822 1 9 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.340 0.189 17519
4823 1 9 . 1 1 65 65 GLY H H 594 8.742 8.742 8.420 0.322 17519
4824 1 9 . 1 1 66 66 ASN N N 595 120.863 120.863 118.600 2.263 17519
4825 1 9 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.852 -0.095 17519
4826 1 9 . 1 1 66 66 ASN C C 595 174.434 174.434 174.059 0.375 17519
4827 1 9 . 1 1 66 66 ASN CA C 595 52.167 52.167 52.445 -0.278 17519
4828 1 9 . 1 1 66 66 ASN CB C 595 39.388 39.388 39.011 0.377 17519
4829 1 9 . 1 1 66 66 ASN H H 595 8.424 8.424 7.754 0.670 17519
4830 1 9 . 1 1 67 67 ASN N N 596 113.308 113.308 115.828 -2.520 17519
4831 1 9 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.551 -0.321 17519
4832 1 9 . 1 1 67 67 ASN C C 596 173.796 173.796 173.859 -0.063 17519
4833 1 9 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.281 0.144 17519
4834 1 9 . 1 1 67 67 ASN CB C 596 38.153 38.153 38.342 -0.189 17519
4835 1 9 . 1 1 67 67 ASN H H 596 8.744 8.744 8.586 0.158 17519
4836 1 9 . 1 1 68 68 ASN N N 597 118.418 118.418 117.487 0.931 17519
4837 1 9 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.924 0.194 17519
4838 1 9 . 1 1 68 68 ASN C C 597 173.474 173.474 173.794 -0.320 17519
4839 1 9 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.666 0.472 17519
4840 1 9 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.711 -0.089 17519
4841 1 9 . 1 1 68 68 ASN H H 597 8.032 8.032 8.094 -0.062 17519
4842 1 9 . 1 1 69 69 TRP N N 598 120.990 120.990 122.816 -1.826 17519
4843 1 9 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.133 -0.277 17519
4844 1 9 . 1 1 69 69 TRP C C 598 176.220 176.220 176.330 -0.110 17519
4845 1 9 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.331 0.902 17519
4846 1 9 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.955 1.264 17519
4847 1 9 . 1 1 69 69 TRP H H 598 8.842 8.842 8.349 0.493 17519
4848 1 9 . 1 1 70 70 ASP N N 599 122.210 122.210 121.947 0.263 17519
4849 1 9 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.006 0.241 17519
4850 1 9 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.151 -0.905 17519
4851 1 9 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.502 0.396 17519
4852 1 9 . 1 1 70 70 ASP H H 599 9.831 9.831 8.836 0.995 17519
4853 1 9 . 1 1 71 71 SER N N 600 117.252 117.252 113.376 3.876 17519
4854 1 9 . 1 1 71 71 SER HA H 600 5.141 5.141 4.799 0.342 17519
4855 1 9 . 1 1 71 71 SER CA C 600 55.907 55.907 58.336 -2.429 17519
4856 1 9 . 1 1 71 71 SER H H 600 9.328 9.328 8.428 0.900 17519
4857 1 9 . 1 1 72 72 ASN N N 601 123.197 123.197 119.060 4.137 17519
4858 1 9 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.499 -0.070 17519
4859 1 9 . 1 1 72 72 ASN C C 601 176.895 176.895 174.506 2.389 17519
4860 1 9 . 1 1 72 72 ASN CA C 601 53.093 53.093 55.867 -2.774 17519
4861 1 9 . 1 1 72 72 ASN CB C 601 39.150 39.150 37.482 1.668 17519
4862 1 9 . 1 1 72 72 ASN H H 601 8.715 8.715 8.781 -0.066 17519
4863 1 9 . 1 1 73 73 ASN N N 602 116.099 116.099 116.013 0.086 17519
4864 1 9 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.792 -0.348 17519
4865 1 9 . 1 1 73 73 ASN C C 602 176.304 176.304 174.088 2.216 17519
4866 1 9 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.533 -0.069 17519
4867 1 9 . 1 1 73 73 ASN CB C 602 37.277 37.277 39.920 -2.643 17519
4868 1 9 . 1 1 73 73 ASN H H 602 9.184 9.184 8.649 0.535 17519
4869 1 9 . 1 1 74 74 THR N N 603 110.445 110.445 113.195 -2.750 17519
4870 1 9 . 1 1 74 74 THR HA H 603 3.835 3.835 4.360 -0.525 17519
4871 1 9 . 1 1 74 74 THR C C 603 173.186 173.186 173.264 -0.078 17519
4872 1 9 . 1 1 74 74 THR CA C 603 65.006 65.006 62.284 2.722 17519
4873 1 9 . 1 1 74 74 THR CB C 603 69.653 69.653 69.065 0.588 17519
4874 1 9 . 1 1 74 74 THR H H 603 7.829 7.829 8.177 -0.348 17519
4875 1 9 . 1 1 75 75 LYS N N 604 121.909 121.909 120.167 1.742 17519
4876 1 9 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.524 -0.387 17519
4877 1 9 . 1 1 75 75 LYS C C 604 177.262 177.262 176.559 0.703 17519
4878 1 9 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.649 2.118 17519
4879 1 9 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.769 -1.393 17519
4880 1 9 . 1 1 75 75 LYS H H 604 7.714 7.714 8.303 -0.589 17519
4881 1 9 . 1 1 76 76 ASN N N 605 108.823 108.823 116.962 -8.139 17519
4882 1 9 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.298 -0.358 17519
4883 1 9 . 1 1 76 76 ASN C C 605 171.742 171.742 174.010 -2.268 17519
4884 1 9 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.588 -0.429 17519
4885 1 9 . 1 1 76 76 ASN CB C 605 39.027 39.027 37.336 1.691 17519
4886 1 9 . 1 1 76 76 ASN H H 605 8.274 8.274 7.620 0.654 17519
4887 1 9 . 1 1 77 77 TYR N N 606 117.628 117.628 116.811 0.817 17519
4888 1 9 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.582 0.245 17519
4889 1 9 . 1 1 77 77 TYR C C 606 174.468 174.468 173.856 0.612 17519
4890 1 9 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.126 0.443 17519
4891 1 9 . 1 1 77 77 TYR CB C 606 41.555 41.555 42.470 -0.915 17519
4892 1 9 . 1 1 77 77 TYR H H 606 9.055 9.055 8.241 0.814 17519
4893 1 9 . 1 1 78 78 LEU N N 607 121.811 121.811 120.401 1.410 17519
4894 1 9 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.654 0.649 17519
4895 1 9 . 1 1 78 78 LEU C C 607 175.673 175.673 175.748 -0.075 17519
4896 1 9 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.155 -0.911 17519
4897 1 9 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.987 0.984 17519
4898 1 9 . 1 1 78 78 LEU H H 607 7.983 7.983 8.303 -0.320 17519
4899 1 9 . 1 1 79 79 PHE N N 608 121.390 121.390 122.776 -1.386 17519
4900 1 9 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.959 -0.132 17519
4901 1 9 . 1 1 79 79 PHE C C 608 175.786 175.786 174.577 1.209 17519
4902 1 9 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.182 0.669 17519
4903 1 9 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.574 -0.011 17519
4904 1 9 . 1 1 79 79 PHE H H 608 9.240 9.240 8.921 0.319 17519
4905 1 9 . 1 1 80 80 SER N N 609 117.589 117.589 115.855 1.734 17519
4906 1 9 . 1 1 80 80 SER HA H 609 4.979 4.979 4.758 0.221 17519
4907 1 9 . 1 1 80 80 SER C C 609 173.269 173.269 174.914 -1.645 17519
4908 1 9 . 1 1 80 80 SER CA C 609 57.811 57.811 56.533 1.278 17519
4909 1 9 . 1 1 80 80 SER CB C 609 64.856 64.856 64.588 0.268 17519
4910 1 9 . 1 1 80 80 SER H H 609 8.948 8.948 8.672 0.276 17519
4911 1 9 . 1 1 81 81 THR N N 610 112.845 112.845 114.722 -1.877 17519
4912 1 9 . 1 1 81 81 THR HA H 610 3.871 3.871 4.111 -0.240 17519
4913 1 9 . 1 1 81 81 THR C C 610 174.439 174.439 175.486 -1.047 17519
4914 1 9 . 1 1 81 81 THR CA C 610 64.353 64.353 63.443 0.910 17519
4915 1 9 . 1 1 81 81 THR CB C 610 69.421 69.421 69.134 0.287 17519
4916 1 9 . 1 1 82 82 GLY N N 611 112.157 112.157 108.606 3.551 17519
4917 1 9 . 1 1 82 82 GLY C C 611 174.430 174.430 172.610 1.820 17519
4918 1 9 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.478 -0.612 17519
4919 1 9 . 1 1 82 82 GLY H H 611 8.468 8.468 8.000 0.468 17519
4920 1 9 . 1 1 83 83 THR N N 612 120.992 120.992 116.926 4.066 17519
4921 1 9 . 1 1 83 83 THR HA H 612 5.483 5.483 4.918 0.565 17519
4922 1 9 . 1 1 83 83 THR C C 612 174.819 174.819 173.562 1.257 17519
4923 1 9 . 1 1 83 83 THR CA C 612 62.563 62.563 62.077 0.486 17519
4924 1 9 . 1 1 83 83 THR CB C 612 70.093 70.093 70.169 -0.076 17519
4925 1 9 . 1 1 83 83 THR H H 612 8.736 8.736 8.130 0.606 17519
4926 1 9 . 1 1 84 84 SER N N 613 122.602 122.602 120.157 2.445 17519
4927 1 9 . 1 1 84 84 SER HA H 613 5.489 5.489 4.958 0.531 17519
4928 1 9 . 1 1 84 84 SER C C 613 172.064 172.064 172.894 -0.830 17519
4929 1 9 . 1 1 84 84 SER CA C 613 58.813 58.813 56.935 1.878 17519
4930 1 9 . 1 1 84 84 SER CB C 613 67.694 67.694 66.216 1.478 17519
4931 1 9 . 1 1 84 84 SER H H 613 9.051 9.051 8.938 0.113 17519
4932 1 9 . 1 1 85 85 THR N N 614 117.759 117.759 120.632 -2.873 17519
4933 1 9 . 1 1 85 85 THR HA H 614 5.256 5.256 4.936 0.320 17519
4934 1 9 . 1 1 85 85 THR C C 614 173.632 173.632 172.870 0.762 17519
4935 1 9 . 1 1 85 85 THR CA C 614 62.724 62.724 61.591 1.133 17519
4936 1 9 . 1 1 85 85 THR CB C 614 70.908 70.908 70.537 0.371 17519
4937 1 9 . 1 1 85 85 THR H H 614 9.523 9.523 8.575 0.948 17519
4938 1 9 . 1 1 86 86 TYR N N 615 131.519 131.519 128.731 2.788 17519
4939 1 9 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.868 0.345 17519
4940 1 9 . 1 1 86 86 TYR C C 615 172.999 172.999 175.096 -2.097 17519
4941 1 9 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.183 0.980 17519
4942 1 9 . 1 1 86 86 TYR CB C 615 41.569 41.569 39.804 1.764 17519
4943 1 9 . 1 1 86 86 TYR H H 615 10.029 10.029 9.485 0.544 17519
4944 1 9 . 1 1 87 87 THR N N 616 124.674 124.674 123.829 0.845 17519
4945 1 9 . 1 1 87 87 THR HA H 616 4.370 4.370 4.620 -0.250 17519
4946 1 9 . 1 1 87 87 THR CA C 616 58.725 58.725 59.889 -1.163 17519
4947 1 9 . 1 1 87 87 THR CB C 616 70.070 70.070 69.790 0.280 17519
4948 1 9 . 1 1 87 87 THR H H 616 8.027 8.027 9.241 -1.214 17519
4949 1 9 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.295 -0.203 17519
4950 1 9 . 1 1 88 88 PRO C C 617 177.011 177.011 177.397 -0.386 17519
4951 1 9 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.147 0.740 17519
4952 1 9 . 1 1 88 88 PRO CB C 617 32.324 32.324 29.816 2.508 17519
4953 1 9 . 1 1 89 89 GLY N N 618 108.881 108.881 111.437 -2.556 17519
4954 1 9 . 1 1 89 89 GLY C C 618 173.673 173.673 174.828 -1.155 17519
4955 1 9 . 1 1 89 89 GLY CA C 618 43.996 43.996 45.863 -1.867 17519
4956 1 9 . 1 1 89 89 GLY H H 618 8.261 8.261 8.117 0.144 17519
4957 1 9 . 1 1 90 90 SER N N 619 114.743 114.743 116.016 -1.273 17519
4958 1 9 . 1 1 90 90 SER HA H 619 4.537 4.537 4.429 0.108 17519
4959 1 9 . 1 1 90 90 SER C C 619 175.706 175.706 174.404 1.302 17519
4960 1 9 . 1 1 90 90 SER CA C 619 57.617 57.617 59.950 -2.333 17519
4961 1 9 . 1 1 90 90 SER CB C 619 64.294 64.294 63.864 0.430 17519
4962 1 9 . 1 1 90 90 SER H H 619 8.380 8.380 8.677 -0.297 17519
4963 1 9 . 1 1 91 91 ASN N N 620 121.360 121.360 117.063 4.297 17519
4964 1 9 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.814 -0.402 17519
4965 1 9 . 1 1 91 91 ASN C C 620 175.289 175.289 175.087 0.202 17519
4966 1 9 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.732 0.621 17519
4967 1 9 . 1 1 91 91 ASN CB C 620 37.733 37.733 39.702 -1.969 17519
4968 1 9 . 1 1 91 91 ASN H H 620 9.296 9.296 7.666 1.630 17519
4969 1 9 . 1 1 92 92 GLY N N 621 105.883 105.883 110.505 -4.622 17519
4970 1 9 . 1 1 92 92 GLY C C 621 174.510 174.510 174.027 0.483 17519
4971 1 9 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.306 -1.077 17519
4972 1 9 . 1 1 92 92 GLY H H 621 8.528 8.528 8.875 -0.347 17519
4973 1 9 . 1 1 93 93 ALA N N 622 123.803 123.803 122.343 1.460 17519
4974 1 9 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.625 -0.209 17519
4975 1 9 . 1 1 93 93 ALA C C 622 176.820 176.820 175.935 0.885 17519
4976 1 9 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.491 1.360 17519
4977 1 9 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.279 -0.475 17519
4978 1 9 . 1 1 93 93 ALA H H 622 7.486 7.486 7.888 -0.402 17519
4979 1 9 . 1 1 94 94 ALA N N 623 123.284 123.284 127.963 -4.679 17519
4980 1 9 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.149 0.441 17519
4981 1 9 . 1 1 94 94 ALA C C 623 178.770 178.770 177.286 1.484 17519
4982 1 9 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.040 -0.413 17519
4983 1 9 . 1 1 94 94 ALA CB C 623 20.087 20.087 18.961 1.126 17519
4984 1 9 . 1 1 94 94 ALA H H 623 8.397 8.397 8.818 -0.421 17519
4985 1 9 . 1 1 95 95 GLY N N 624 108.970 108.970 112.603 -3.633 17519
4986 1 9 . 1 1 95 95 GLY C C 624 173.156 173.156 173.399 -0.243 17519
4987 1 9 . 1 1 95 95 GLY CA C 624 44.857 44.857 45.011 -0.154 17519
4988 1 9 . 1 1 95 95 GLY H H 624 8.438 8.438 8.551 -0.113 17519
4989 1 9 . 1 1 96 96 THR N N 625 108.929 108.929 110.750 -1.821 17519
4990 1 9 . 1 1 96 96 THR HA H 625 4.603 4.603 4.648 -0.045 17519
4991 1 9 . 1 1 96 96 THR C C 625 172.765 172.765 172.794 -0.029 17519
4992 1 9 . 1 1 96 96 THR CA C 625 60.350 60.350 60.630 -0.280 17519
4993 1 9 . 1 1 96 96 THR CB C 625 72.295 72.295 72.160 0.135 17519
4994 1 9 . 1 1 96 96 THR H H 625 7.833 7.833 7.708 0.125 17519
4995 1 9 . 1 1 97 97 ILE N N 626 123.623 123.623 119.591 4.032 17519
4996 1 9 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.068 -0.251 17519
4997 1 9 . 1 1 97 97 ILE C C 626 175.596 175.596 175.484 0.112 17519
4998 1 9 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.671 1.378 17519
4999 1 9 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.091 2.087 17519
5000 1 9 . 1 1 97 97 ILE H H 626 8.594 8.594 8.199 0.395 17519
5001 1 9 . 1 1 98 98 ARG N N 627 127.431 127.431 127.601 -0.170 17519
5002 1 9 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.651 0.284 17519
5003 1 9 . 1 1 98 98 ARG C C 627 175.183 175.183 175.438 -0.255 17519
5004 1 9 . 1 1 98 98 ARG CA C 627 53.768 53.768 53.741 0.027 17519
5005 1 9 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.833 0.943 17519
5006 1 9 . 1 1 98 98 ARG H H 627 8.979 8.979 8.878 0.101 17519
5007 1 9 . 1 1 99 99 THR N N 628 118.452 118.452 118.504 -0.052 17519
5008 1 9 . 1 1 99 99 THR HA H 628 4.410 4.410 4.441 -0.031 17519
5009 1 9 . 1 1 99 99 THR C C 628 174.845 174.845 175.073 -0.228 17519
5010 1 9 . 1 1 99 99 THR CA C 628 63.962 63.962 62.032 1.930 17519
5011 1 9 . 1 1 99 99 THR CB C 628 69.488 69.488 69.119 0.369 17519
5012 1 9 . 1 1 99 99 THR H H 628 8.697 8.697 8.441 0.256 17519
5013 1 9 . 1 1 100 100 GLY N N 629 114.137 114.137 109.636 4.501 17519
5014 1 9 . 1 1 100 100 GLY C C 629 171.903 171.903 172.549 -0.646 17519
5015 1 9 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.368 -0.621 17519
5016 1 9 . 1 1 100 100 GLY H H 629 8.626 8.626 8.633 -0.007 17519
5017 1 9 . 1 1 101 101 ALA N N 630 120.627 120.627 124.915 -4.288 17519
5018 1 9 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.177 -0.485 17519
5019 1 9 . 1 1 101 101 ALA CA C 630 49.428 49.428 51.070 -1.642 17519
5020 1 9 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.753 -0.682 17519
5021 1 9 . 1 1 101 101 ALA H H 630 7.980 7.980 8.219 -0.239 17519
5022 1 9 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.380 -0.255 17519
5023 1 9 . 1 1 102 102 PRO C C 631 175.721 175.721 177.183 -1.462 17519
5024 1 9 . 1 1 102 102 PRO CA C 631 62.940 62.940 61.937 1.003 17519
5025 1 9 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.458 -0.713 17519
5026 1 9 . 1 1 103 103 SER N N 632 113.689 113.689 116.459 -2.770 17519
5027 1 9 . 1 1 103 103 SER HA H 632 4.295 4.295 4.229 0.066 17519
5028 1 9 . 1 1 103 103 SER C C 632 173.816 173.816 174.343 -0.527 17519
5029 1 9 . 1 1 103 103 SER CA C 632 57.689 57.689 59.569 -1.879 17519
5030 1 9 . 1 1 103 103 SER CB C 632 64.133 64.133 61.941 2.192 17519
5031 1 9 . 1 1 103 103 SER H H 632 7.969 7.969 8.565 -0.596 17519
5032 1 10 . 1 1 2 2 GLY C C 531 174.309 174.309 174.611 -0.302 17519
5033 1 10 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.108 0.068 17519
5034 1 10 . 1 1 3 3 THR N N 532 113.802 113.802 114.718 -0.916 17519
5035 1 10 . 1 1 3 3 THR HA H 532 4.429 4.429 4.383 0.046 17519
5036 1 10 . 1 1 3 3 THR C C 532 174.430 174.430 175.328 -0.898 17519
5037 1 10 . 1 1 3 3 THR CA C 532 61.577 61.577 61.976 -0.399 17519
5038 1 10 . 1 1 3 3 THR CB C 532 69.849 69.849 69.478 0.371 17519
5039 1 10 . 1 1 3 3 THR H H 532 8.140 8.140 7.861 0.279 17519
5040 1 10 . 1 1 4 4 THR N N 533 115.407 115.407 117.822 -2.415 17519
5041 1 10 . 1 1 4 4 THR HA H 533 4.350 4.350 3.979 0.371 17519
5042 1 10 . 1 1 4 4 THR C C 533 173.831 173.831 173.790 0.041 17519
5043 1 10 . 1 1 4 4 THR CA C 533 60.266 60.266 62.886 -2.620 17519
5044 1 10 . 1 1 4 4 THR CB C 533 69.788 69.788 69.327 0.461 17519
5045 1 10 . 1 1 4 4 THR H H 533 8.019 8.019 7.855 0.164 17519
5046 1 10 . 1 1 5 5 ASN N N 534 121.822 121.822 119.588 2.234 17519
5047 1 10 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.865 -0.029 17519
5048 1 10 . 1 1 5 5 ASN C C 534 174.057 174.057 174.166 -0.109 17519
5049 1 10 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.000 0.686 17519
5050 1 10 . 1 1 5 5 ASN CB C 534 39.156 39.156 41.674 -2.518 17519
5051 1 10 . 1 1 5 5 ASN H H 534 8.863 8.863 8.750 0.113 17519
5052 1 10 . 1 1 6 6 LYS N N 535 119.369 119.369 118.026 1.343 17519
5053 1 10 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.046 0.139 17519
5054 1 10 . 1 1 6 6 LYS C C 535 175.924 175.924 174.870 1.054 17519
5055 1 10 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.163 -0.632 17519
5056 1 10 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.245 -0.229 17519
5057 1 10 . 1 1 6 6 LYS H H 535 8.347 8.347 8.194 0.153 17519
5058 1 10 . 1 1 7 7 VAL N N 536 123.112 123.112 121.320 1.792 17519
5059 1 10 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.412 0.161 17519
5060 1 10 . 1 1 7 7 VAL C C 536 174.602 174.602 175.107 -0.505 17519
5061 1 10 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.272 0.873 17519
5062 1 10 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.199 2.575 17519
5063 1 10 . 1 1 7 7 VAL H H 536 8.828 8.828 9.072 -0.244 17519
5064 1 10 . 1 1 8 8 THR N N 537 125.255 125.255 124.513 0.742 17519
5065 1 10 . 1 1 8 8 THR HA H 537 5.396 5.396 5.207 0.189 17519
5066 1 10 . 1 1 8 8 THR C C 537 173.129 173.129 173.745 -0.616 17519
5067 1 10 . 1 1 8 8 THR CA C 537 61.611 61.611 61.947 -0.336 17519
5068 1 10 . 1 1 8 8 THR CB C 537 70.113 70.113 69.906 0.207 17519
5069 1 10 . 1 1 8 8 THR H H 537 8.914 8.914 8.125 0.789 17519
5070 1 10 . 1 1 9 9 VAL N N 538 126.696 126.696 126.231 0.465 17519
5071 1 10 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.801 -0.267 17519
5072 1 10 . 1 1 9 9 VAL C C 538 175.565 175.565 174.376 1.189 17519
5073 1 10 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.902 -0.023 17519
5074 1 10 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.344 0.835 17519
5075 1 10 . 1 1 9 9 VAL H H 538 8.585 8.585 8.871 -0.286 17519
5076 1 10 . 1 1 10 10 TYR N N 539 124.488 124.488 127.501 -3.013 17519
5077 1 10 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.292 -0.034 17519
5078 1 10 . 1 1 10 10 TYR C C 539 174.309 174.309 175.075 -0.766 17519
5079 1 10 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.960 0.306 17519
5080 1 10 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.455 -0.045 17519
5081 1 10 . 1 1 10 10 TYR H H 539 9.111 9.111 8.732 0.379 17519
5082 1 10 . 1 1 11 11 TYR N N 540 125.848 125.848 127.217 -1.369 17519
5083 1 10 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.679 -0.653 17519
5084 1 10 . 1 1 11 11 TYR C C 540 173.346 173.346 173.950 -0.604 17519
5085 1 10 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.596 1.006 17519
5086 1 10 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.442 0.516 17519
5087 1 10 . 1 1 11 11 TYR H H 540 9.580 9.580 9.028 0.552 17519
5088 1 10 . 1 1 12 12 LYS N N 541 131.489 131.489 127.430 4.059 17519
5089 1 10 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.779 -0.327 17519
5090 1 10 . 1 1 12 12 LYS C C 541 172.904 172.904 174.785 -1.881 17519
5091 1 10 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.735 0.980 17519
5092 1 10 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.186 -0.089 17519
5093 1 10 . 1 1 12 12 LYS H H 541 8.406 8.406 7.671 0.735 17519
5094 1 10 . 1 1 13 13 LYS N N 542 125.132 125.132 127.166 -2.034 17519
5095 1 10 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.292 -0.354 17519
5096 1 10 . 1 1 13 13 LYS C C 542 180.078 180.078 176.108 3.970 17519
5097 1 10 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.615 -4.179 17519
5098 1 10 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.951 -1.346 17519
5099 1 10 . 1 1 13 13 LYS H H 542 7.515 7.515 7.722 -0.207 17519
5100 1 10 . 1 1 14 14 GLY N N 543 112.724 112.724 113.120 -0.396 17519
5101 1 10 . 1 1 14 14 GLY C C 543 174.151 174.151 172.621 1.530 17519
5102 1 10 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.998 1.292 17519
5103 1 10 . 1 1 14 14 GLY H H 543 7.629 7.629 8.028 -0.399 17519
5104 1 10 . 1 1 15 15 PHE N N 544 121.583 121.583 119.685 1.898 17519
5105 1 10 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.807 -0.085 17519
5106 1 10 . 1 1 15 15 PHE C C 544 175.876 175.876 174.410 1.466 17519
5107 1 10 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.175 -1.065 17519
5108 1 10 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.724 -2.333 17519
5109 1 10 . 1 1 15 15 PHE H H 544 8.557 8.557 8.285 0.272 17519
5110 1 10 . 1 1 16 16 ASN N N 545 117.559 117.559 118.342 -0.783 17519
5111 1 10 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.947 -0.483 17519
5112 1 10 . 1 1 16 16 ASN C C 545 176.289 176.289 173.928 2.361 17519
5113 1 10 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.051 3.369 17519
5114 1 10 . 1 1 16 16 ASN CB C 545 39.263 39.263 40.070 -0.807 17519
5115 1 10 . 1 1 16 16 ASN H H 545 8.561 8.561 8.456 0.105 17519
5116 1 10 . 1 1 17 17 SER N N 546 112.901 112.901 114.388 -1.487 17519
5117 1 10 . 1 1 17 17 SER HA H 546 4.862 4.862 4.258 0.604 17519
5118 1 10 . 1 1 17 17 SER CA C 546 53.586 53.586 57.868 -4.282 17519
5119 1 10 . 1 1 17 17 SER CB C 546 63.708 63.708 62.570 1.138 17519
5120 1 10 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.337 0.256 17519
5121 1 10 . 1 1 18 18 PRO C C 547 175.806 175.806 176.059 -0.253 17519
5122 1 10 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.336 0.185 17519
5123 1 10 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.251 0.412 17519
5124 1 10 . 1 1 19 19 TYR N N 548 122.230 122.230 121.231 0.999 17519
5125 1 10 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.319 0.558 17519
5126 1 10 . 1 1 19 19 TYR C C 548 174.660 174.660 175.242 -0.582 17519
5127 1 10 . 1 1 19 19 TYR CA C 548 56.660 56.660 59.289 -2.629 17519
5128 1 10 . 1 1 19 19 TYR CB C 548 40.462 40.462 39.822 0.640 17519
5129 1 10 . 1 1 19 19 TYR H H 548 9.141 9.141 8.064 1.077 17519
5130 1 10 . 1 1 20 20 ILE N N 549 118.425 118.425 120.948 -2.523 17519
5131 1 10 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.948 0.124 17519
5132 1 10 . 1 1 20 20 ILE C C 549 171.422 171.422 173.544 -2.122 17519
5133 1 10 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.711 -0.282 17519
5134 1 10 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.492 0.264 17519
5135 1 10 . 1 1 21 21 HIS N N 550 133.248 133.248 126.682 6.566 17519
5136 1 10 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.654 0.709 17519
5137 1 10 . 1 1 21 21 HIS C C 550 174.988 174.988 173.338 1.650 17519
5138 1 10 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.049 -0.134 17519
5139 1 10 . 1 1 21 21 HIS CB C 550 34.774 34.774 33.348 1.426 17519
5140 1 10 . 1 1 21 21 HIS H H 550 8.956 8.956 8.516 0.440 17519
5141 1 10 . 1 1 22 22 TYR N N 551 121.831 121.831 123.001 -1.170 17519
5142 1 10 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.721 0.462 17519
5143 1 10 . 1 1 22 22 TYR C C 551 173.934 173.934 173.649 0.285 17519
5144 1 10 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.976 1.692 17519
5145 1 10 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.684 1.034 17519
5146 1 10 . 1 1 22 22 TYR H H 551 8.204 8.204 8.112 0.092 17519
5147 1 10 . 1 1 23 23 ARG N N 552 115.619 115.619 119.752 -4.133 17519
5148 1 10 . 1 1 23 23 ARG HA H 552 4.762 4.762 5.030 -0.268 17519
5149 1 10 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.704 -0.224 17519
5150 1 10 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.911 -1.873 17519
5151 1 10 . 1 1 23 23 ARG H H 552 8.674 8.674 9.191 -0.517 17519
5152 1 10 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.473 0.083 17519
5153 1 10 . 1 1 24 24 PRO C C 553 176.736 176.736 176.605 0.131 17519
5154 1 10 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.260 0.092 17519
5155 1 10 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.409 -0.529 17519
5156 1 10 . 1 1 25 25 ALA N N 554 125.908 125.908 124.740 1.168 17519
5157 1 10 . 1 1 25 25 ALA HA H 554 4.022 4.022 4.139 -0.117 17519
5158 1 10 . 1 1 25 25 ALA C C 554 179.217 179.217 176.814 2.403 17519
5159 1 10 . 1 1 25 25 ALA CA C 554 54.085 54.085 51.876 2.209 17519
5160 1 10 . 1 1 25 25 ALA CB C 554 18.232 18.232 17.191 1.041 17519
5161 1 10 . 1 1 25 25 ALA H H 554 8.293 8.293 8.270 0.023 17519
5162 1 10 . 1 1 26 26 GLY N N 555 111.766 111.766 107.271 4.495 17519
5163 1 10 . 1 1 26 26 GLY C C 555 174.796 174.796 173.702 1.094 17519
5164 1 10 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.090 0.550 17519
5165 1 10 . 1 1 26 26 GLY H H 555 8.602 8.602 8.163 0.439 17519
5166 1 10 . 1 1 27 27 GLY N N 556 109.512 109.512 108.536 0.976 17519
5167 1 10 . 1 1 27 27 GLY C C 556 173.368 173.368 173.099 0.269 17519
5168 1 10 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.558 -1.352 17519
5169 1 10 . 1 1 27 27 GLY H H 556 8.494 8.494 7.749 0.745 17519
5170 1 10 . 1 1 28 28 SER N N 557 117.962 117.962 113.537 4.425 17519
5171 1 10 . 1 1 28 28 SER HA H 557 4.690 4.690 4.382 0.308 17519
5172 1 10 . 1 1 28 28 SER C C 557 173.656 173.656 172.117 1.539 17519
5173 1 10 . 1 1 28 28 SER CA C 557 57.492 57.492 57.624 -0.132 17519
5174 1 10 . 1 1 28 28 SER CB C 557 64.803 64.803 64.229 0.574 17519
5175 1 10 . 1 1 28 28 SER H H 557 8.681 8.681 7.622 1.059 17519
5176 1 10 . 1 1 29 29 TRP N N 558 123.928 123.928 121.251 2.677 17519
5177 1 10 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.855 -0.403 17519
5178 1 10 . 1 1 29 29 TRP C C 558 178.891 178.891 176.975 1.916 17519
5179 1 10 . 1 1 29 29 TRP CA C 558 58.074 58.074 57.349 0.725 17519
5180 1 10 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.102 0.604 17519
5181 1 10 . 1 1 29 29 TRP H H 558 8.392 8.392 8.476 -0.084 17519
5182 1 10 . 1 1 30 30 THR N N 559 111.067 111.067 119.840 -8.773 17519
5183 1 10 . 1 1 30 30 THR HA H 559 4.037 4.037 4.240 -0.203 17519
5184 1 10 . 1 1 30 30 THR C C 559 174.782 174.782 174.445 0.337 17519
5185 1 10 . 1 1 30 30 THR CA C 559 61.321 61.321 63.791 -2.470 17519
5186 1 10 . 1 1 30 30 THR CB C 559 70.561 70.561 69.792 0.769 17519
5187 1 10 . 1 1 30 30 THR H H 559 7.953 7.953 8.345 -0.392 17519
5188 1 10 . 1 1 31 31 ALA N N 560 123.046 123.046 124.837 -1.791 17519
5189 1 10 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.219 0.232 17519
5190 1 10 . 1 1 31 31 ALA C C 560 178.493 178.493 176.792 1.701 17519
5191 1 10 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.487 -0.573 17519
5192 1 10 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.719 -0.720 17519
5193 1 10 . 1 1 31 31 ALA H H 560 8.437 8.437 8.357 0.080 17519
5194 1 10 . 1 1 32 32 ALA N N 561 129.644 129.644 128.495 1.149 17519
5195 1 10 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.578 -0.637 17519
5196 1 10 . 1 1 32 32 ALA CA C 561 51.756 51.756 50.401 1.355 17519
5197 1 10 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.877 -2.727 17519
5198 1 10 . 1 1 32 32 ALA H H 561 8.828 8.828 8.397 0.431 17519
5199 1 10 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.618 -0.720 17519
5200 1 10 . 1 1 33 33 PRO C C 562 173.280 173.280 177.017 -3.737 17519
5201 1 10 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.136 1.302 17519
5202 1 10 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.347 0.164 17519
5203 1 10 . 1 1 34 34 GLY N N 563 112.224 112.224 110.403 1.821 17519
5204 1 10 . 1 1 34 34 GLY C C 563 173.977 173.977 174.350 -0.373 17519
5205 1 10 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.618 -1.669 17519
5206 1 10 . 1 1 34 34 GLY H H 563 8.763 8.763 7.822 0.941 17519
5207 1 10 . 1 1 35 35 VAL N N 564 123.427 123.427 118.441 4.986 17519
5208 1 10 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.451 -0.050 17519
5209 1 10 . 1 1 35 35 VAL C C 564 174.734 174.734 174.182 0.552 17519
5210 1 10 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.417 0.471 17519
5211 1 10 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.558 -0.657 17519
5212 1 10 . 1 1 36 36 LYS N N 565 128.212 128.212 122.052 6.160 17519
5213 1 10 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.936 -0.827 17519
5214 1 10 . 1 1 36 36 LYS C C 565 176.437 176.437 176.284 0.153 17519
5215 1 10 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.327 1.861 17519
5216 1 10 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.426 0.988 17519
5217 1 10 . 1 1 36 36 LYS H H 565 8.486 8.486 8.270 0.216 17519
5218 1 10 . 1 1 37 37 MET N N 566 124.964 124.964 122.943 2.021 17519
5219 1 10 . 1 1 37 37 MET HA H 566 4.228 4.228 4.135 0.093 17519
5220 1 10 . 1 1 37 37 MET C C 566 175.652 175.652 175.933 -0.281 17519
5221 1 10 . 1 1 37 37 MET CA C 566 56.485 56.485 57.227 -0.742 17519
5222 1 10 . 1 1 37 37 MET CB C 566 35.011 35.011 32.114 2.897 17519
5223 1 10 . 1 1 37 37 MET H H 566 8.202 8.202 8.486 -0.284 17519
5224 1 10 . 1 1 38 38 GLN N N 567 121.561 121.561 124.750 -3.189 17519
5225 1 10 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.379 0.058 17519
5226 1 10 . 1 1 38 38 GLN C C 567 175.809 175.809 175.170 0.639 17519
5227 1 10 . 1 1 38 38 GLN CA C 567 54.822 54.822 55.080 -0.258 17519
5228 1 10 . 1 1 38 38 GLN CB C 567 30.182 30.182 29.905 0.277 17519
5229 1 10 . 1 1 38 38 GLN H H 567 8.489 8.489 8.292 0.197 17519
5230 1 10 . 1 1 39 39 ASP N N 568 121.881 121.881 125.576 -3.695 17519
5231 1 10 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.575 0.208 17519
5232 1 10 . 1 1 39 39 ASP C C 568 176.715 176.715 175.925 0.790 17519
5233 1 10 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.606 0.561 17519
5234 1 10 . 1 1 39 39 ASP CB C 568 40.239 40.239 40.811 -0.572 17519
5235 1 10 . 1 1 39 39 ASP H H 568 8.780 8.780 8.543 0.237 17519
5236 1 10 . 1 1 40 40 ALA N N 569 122.696 122.696 126.582 -3.886 17519
5237 1 10 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.152 0.200 17519
5238 1 10 . 1 1 40 40 ALA C C 569 175.165 175.165 177.652 -2.487 17519
5239 1 10 . 1 1 40 40 ALA CA C 569 50.493 50.493 52.078 -1.585 17519
5240 1 10 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.017 1.718 17519
5241 1 10 . 1 1 40 40 ALA H H 569 8.463 8.463 7.978 0.485 17519
5242 1 10 . 1 1 41 41 GLU N N 570 120.083 120.083 117.741 2.342 17519
5243 1 10 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.481 -0.130 17519
5244 1 10 . 1 1 41 41 GLU C C 570 174.683 174.683 177.021 -2.338 17519
5245 1 10 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.464 1.061 17519
5246 1 10 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.127 -2.896 17519
5247 1 10 . 1 1 41 41 GLU H H 570 10.398 10.398 8.661 1.737 17519
5248 1 10 . 1 1 42 42 ILE N N 571 119.363 119.363 120.502 -1.139 17519
5249 1 10 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.192 0.187 17519
5250 1 10 . 1 1 42 42 ILE C C 571 174.913 174.913 176.443 -1.530 17519
5251 1 10 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.203 -3.383 17519
5252 1 10 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.349 1.237 17519
5253 1 10 . 1 1 42 42 ILE H H 571 6.526 6.526 8.076 -1.550 17519
5254 1 10 . 1 1 43 43 SER N N 572 121.258 121.258 114.525 6.733 17519
5255 1 10 . 1 1 43 43 SER HA H 572 4.352 4.352 4.529 -0.177 17519
5256 1 10 . 1 1 43 43 SER C C 572 175.617 175.617 173.702 1.915 17519
5257 1 10 . 1 1 43 43 SER CA C 572 60.125 60.125 58.147 1.978 17519
5258 1 10 . 1 1 43 43 SER CB C 572 63.063 63.063 63.602 -0.539 17519
5259 1 10 . 1 1 43 43 SER H H 572 8.618 8.618 8.095 0.523 17519
5260 1 10 . 1 1 44 44 GLY N N 573 111.836 111.836 110.110 1.726 17519
5261 1 10 . 1 1 44 44 GLY C C 573 173.828 173.828 172.417 1.411 17519
5262 1 10 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.367 -0.512 17519
5263 1 10 . 1 1 44 44 GLY H H 573 8.691 8.691 8.529 0.162 17519
5264 1 10 . 1 1 45 45 TYR N N 574 116.297 116.297 120.360 -4.063 17519
5265 1 10 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.851 0.910 17519
5266 1 10 . 1 1 45 45 TYR C C 574 175.520 175.520 174.725 0.795 17519
5267 1 10 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.215 -0.696 17519
5268 1 10 . 1 1 45 45 TYR CB C 574 41.917 41.917 41.035 0.882 17519
5269 1 10 . 1 1 45 45 TYR H H 574 7.854 7.854 7.815 0.039 17519
5270 1 10 . 1 1 46 46 ALA N N 575 126.117 126.117 123.782 2.335 17519
5271 1 10 . 1 1 46 46 ALA HA H 575 5.407 5.407 5.269 0.138 17519
5272 1 10 . 1 1 46 46 ALA C C 575 176.096 176.096 175.094 1.002 17519
5273 1 10 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.220 0.152 17519
5274 1 10 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.735 2.631 17519
5275 1 10 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.302 0.408 17519
5276 1 10 . 1 1 47 47 LYS C C 576 173.794 173.794 174.694 -0.900 17519
5277 1 10 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.261 0.129 17519
5278 1 10 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.227 0.714 17519
5279 1 10 . 1 1 48 48 ILE N N 577 120.000 120.000 122.197 -2.197 17519
5280 1 10 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.676 -0.231 17519
5281 1 10 . 1 1 48 48 ILE C C 577 171.242 171.242 173.708 -2.466 17519
5282 1 10 . 1 1 48 48 ILE CA C 577 60.380 60.380 58.725 1.655 17519
5283 1 10 . 1 1 48 48 ILE CB C 577 42.316 42.316 41.797 0.519 17519
5284 1 10 . 1 1 48 48 ILE H H 577 8.041 8.041 8.859 -0.818 17519
5285 1 10 . 1 1 49 49 THR N N 578 122.357 122.357 122.878 -0.521 17519
5286 1 10 . 1 1 49 49 THR HA H 578 5.344 5.344 5.451 -0.107 17519
5287 1 10 . 1 1 49 49 THR C C 578 173.601 173.601 173.695 -0.094 17519
5288 1 10 . 1 1 49 49 THR CA C 578 61.849 61.849 60.746 1.103 17519
5289 1 10 . 1 1 49 49 THR CB C 578 70.593 70.593 70.303 0.290 17519
5290 1 10 . 1 1 49 49 THR H H 578 8.043 8.043 8.578 -0.535 17519
5291 1 10 . 1 1 50 50 VAL N N 579 126.489 126.489 124.460 2.029 17519
5292 1 10 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.275 -0.135 17519
5293 1 10 . 1 1 50 50 VAL C C 579 174.015 174.015 173.604 0.411 17519
5294 1 10 . 1 1 50 50 VAL CA C 579 60.252 60.252 59.428 0.824 17519
5295 1 10 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.785 -0.632 17519
5296 1 10 . 1 1 50 50 VAL H H 579 9.349 9.349 8.472 0.877 17519
5297 1 10 . 1 1 51 51 ASP N N 580 126.891 126.891 128.598 -1.707 17519
5298 1 10 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.201 -0.334 17519
5299 1 10 . 1 1 51 51 ASP C C 580 176.752 176.752 175.982 0.770 17519
5300 1 10 . 1 1 51 51 ASP CA C 580 53.526 53.526 52.868 0.658 17519
5301 1 10 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.204 -0.388 17519
5302 1 10 . 1 1 51 51 ASP H H 580 8.616 8.616 8.536 0.080 17519
5303 1 10 . 1 1 52 52 ILE N N 581 118.893 118.893 116.812 2.081 17519
5304 1 10 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.543 0.045 17519
5305 1 10 . 1 1 52 52 ILE C C 581 176.717 176.717 177.426 -0.709 17519
5306 1 10 . 1 1 52 52 ILE CA C 581 60.101 60.101 61.017 -0.916 17519
5307 1 10 . 1 1 52 52 ILE CB C 581 38.055 38.055 40.064 -2.009 17519
5308 1 10 . 1 1 52 52 ILE H H 581 8.627 8.627 8.110 0.517 17519
5309 1 10 . 1 1 53 53 GLY N N 582 114.728 114.728 111.578 3.150 17519
5310 1 10 . 1 1 53 53 GLY C C 582 174.442 174.442 174.359 0.083 17519
5311 1 10 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.735 0.870 17519
5312 1 10 . 1 1 53 53 GLY H H 582 9.075 9.075 8.088 0.987 17519
5313 1 10 . 1 1 54 54 SER N N 583 120.404 120.404 112.809 7.595 17519
5314 1 10 . 1 1 54 54 SER HA H 583 4.549 4.549 4.316 0.233 17519
5315 1 10 . 1 1 54 54 SER C C 583 175.149 175.149 174.091 1.058 17519
5316 1 10 . 1 1 54 54 SER CA C 583 58.133 58.133 58.689 -0.556 17519
5317 1 10 . 1 1 54 54 SER CB C 583 63.647 63.647 63.251 0.396 17519
5318 1 10 . 1 1 54 54 SER H H 583 8.812 8.812 8.015 0.797 17519
5319 1 10 . 1 1 55 55 ALA N N 584 125.527 125.527 125.269 0.258 17519
5320 1 10 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.225 0.192 17519
5321 1 10 . 1 1 55 55 ALA C C 584 175.867 175.867 176.939 -1.072 17519
5322 1 10 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.915 -0.548 17519
5323 1 10 . 1 1 55 55 ALA CB C 584 20.064 20.064 19.471 0.593 17519
5324 1 10 . 1 1 55 55 ALA H H 584 7.820 7.820 7.548 0.272 17519
5325 1 10 . 1 1 56 56 SER N N 585 109.786 109.786 115.251 -5.465 17519
5326 1 10 . 1 1 56 56 SER HA H 585 4.564 4.564 4.635 -0.071 17519
5327 1 10 . 1 1 56 56 SER C C 585 173.978 173.978 173.887 0.091 17519
5328 1 10 . 1 1 56 56 SER CA C 585 58.220 58.220 58.769 -0.549 17519
5329 1 10 . 1 1 56 56 SER CB C 585 64.962 64.962 64.014 0.948 17519
5330 1 10 . 1 1 56 56 SER H H 585 8.785 8.785 8.580 0.205 17519
5331 1 10 . 1 1 57 57 GLN N N 586 116.690 116.690 118.850 -2.160 17519
5332 1 10 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.745 0.403 17519
5333 1 10 . 1 1 57 57 GLN C C 586 172.923 172.923 173.235 -0.312 17519
5334 1 10 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.083 -1.087 17519
5335 1 10 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.689 1.851 17519
5336 1 10 . 1 1 57 57 GLN H H 586 7.144 7.144 7.556 -0.412 17519
5337 1 10 . 1 1 58 58 LEU N N 587 123.011 123.011 124.004 -0.993 17519
5338 1 10 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.031 -0.363 17519
5339 1 10 . 1 1 58 58 LEU C C 587 173.426 173.426 174.291 -0.865 17519
5340 1 10 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.862 -0.484 17519
5341 1 10 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.497 1.161 17519
5342 1 10 . 1 1 58 58 LEU H H 587 9.226 9.226 9.181 0.045 17519
5343 1 10 . 1 1 59 59 GLU N N 588 129.185 129.185 124.604 4.581 17519
5344 1 10 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.396 -0.087 17519
5345 1 10 . 1 1 59 59 GLU C C 588 175.409 175.409 175.099 0.310 17519
5346 1 10 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.743 0.907 17519
5347 1 10 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.043 0.005 17519
5348 1 10 . 1 1 59 59 GLU H H 588 8.830 8.830 8.901 -0.071 17519
5349 1 10 . 1 1 60 60 ALA N N 589 126.011 126.011 124.981 1.030 17519
5350 1 10 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.406 0.497 17519
5351 1 10 . 1 1 60 60 ALA C C 589 174.861 174.861 175.329 -0.468 17519
5352 1 10 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.376 -0.229 17519
5353 1 10 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.146 1.711 17519
5354 1 10 . 1 1 60 60 ALA H H 589 9.748 9.748 8.453 1.295 17519
5355 1 10 . 1 1 61 61 ALA N N 590 120.783 120.783 123.938 -3.155 17519
5356 1 10 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.973 -0.156 17519
5357 1 10 . 1 1 61 61 ALA C C 590 174.731 174.731 175.083 -0.352 17519
5358 1 10 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.499 0.629 17519
5359 1 10 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.384 0.716 17519
5360 1 10 . 1 1 61 61 ALA H H 590 9.392 9.392 8.940 0.452 17519
5361 1 10 . 1 1 62 62 PHE N N 591 116.572 116.572 118.628 -2.056 17519
5362 1 10 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.799 1.208 17519
5363 1 10 . 1 1 62 62 PHE C C 591 175.059 175.059 174.340 0.719 17519
5364 1 10 . 1 1 62 62 PHE CA C 591 56.456 56.456 54.991 1.465 17519
5365 1 10 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.689 1.634 17519
5366 1 10 . 1 1 62 62 PHE H H 591 8.394 8.394 8.482 -0.088 17519
5367 1 10 . 1 1 63 63 ASN N N 592 116.166 116.166 120.714 -4.548 17519
5368 1 10 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.343 -0.179 17519
5369 1 10 . 1 1 63 63 ASN C C 592 172.073 172.073 174.235 -2.162 17519
5370 1 10 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.896 1.831 17519
5371 1 10 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.344 -0.112 17519
5372 1 10 . 1 1 63 63 ASN H H 592 9.117 9.117 8.830 0.287 17519
5373 1 10 . 1 1 64 64 ASP N N 593 118.039 118.039 122.223 -4.184 17519
5374 1 10 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.331 -0.112 17519
5375 1 10 . 1 1 64 64 ASP C C 593 177.248 177.248 176.757 0.491 17519
5376 1 10 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.619 -3.368 17519
5377 1 10 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.077 -0.355 17519
5378 1 10 . 1 1 64 64 ASP H H 593 7.558 7.558 8.096 -0.538 17519
5379 1 10 . 1 1 65 65 GLY N N 594 110.622 110.622 107.030 3.592 17519
5380 1 10 . 1 1 65 65 GLY C C 594 173.126 173.126 174.268 -1.142 17519
5381 1 10 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.120 0.409 17519
5382 1 10 . 1 1 65 65 GLY H H 594 8.742 8.742 8.297 0.445 17519
5383 1 10 . 1 1 66 66 ASN N N 595 120.863 120.863 118.139 2.724 17519
5384 1 10 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.875 -0.118 17519
5385 1 10 . 1 1 66 66 ASN C C 595 174.434 174.434 175.589 -1.155 17519
5386 1 10 . 1 1 66 66 ASN CA C 595 52.167 52.167 51.988 0.179 17519
5387 1 10 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.683 0.705 17519
5388 1 10 . 1 1 66 66 ASN H H 595 8.424 8.424 8.084 0.340 17519
5389 1 10 . 1 1 67 67 ASN N N 596 113.308 113.308 116.825 -3.517 17519
5390 1 10 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.761 -0.531 17519
5391 1 10 . 1 1 67 67 ASN C C 596 173.796 173.796 174.423 -0.627 17519
5392 1 10 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.257 0.168 17519
5393 1 10 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.351 0.802 17519
5394 1 10 . 1 1 67 67 ASN H H 596 8.744 8.744 8.588 0.156 17519
5395 1 10 . 1 1 68 68 ASN N N 597 118.418 118.418 119.205 -0.787 17519
5396 1 10 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.009 0.109 17519
5397 1 10 . 1 1 68 68 ASN C C 597 173.474 173.474 174.414 -0.940 17519
5398 1 10 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.538 0.600 17519
5399 1 10 . 1 1 68 68 ASN CB C 597 38.622 38.622 37.141 1.481 17519
5400 1 10 . 1 1 68 68 ASN H H 597 8.032 8.032 8.425 -0.393 17519
5401 1 10 . 1 1 69 69 TRP N N 598 120.990 120.990 123.020 -2.030 17519
5402 1 10 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.153 -0.297 17519
5403 1 10 . 1 1 69 69 TRP C C 598 176.220 176.220 176.905 -0.685 17519
5404 1 10 . 1 1 69 69 TRP CA C 598 57.233 57.233 55.633 1.600 17519
5405 1 10 . 1 1 69 69 TRP CB C 598 32.219 32.219 29.547 2.672 17519
5406 1 10 . 1 1 69 69 TRP H H 598 8.842 8.842 8.069 0.773 17519
5407 1 10 . 1 1 70 70 ASP N N 599 122.210 122.210 124.333 -2.123 17519
5408 1 10 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.904 0.343 17519
5409 1 10 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.251 -1.005 17519
5410 1 10 . 1 1 70 70 ASP CB C 599 41.898 41.898 40.371 1.527 17519
5411 1 10 . 1 1 70 70 ASP H H 599 9.831 9.831 8.938 0.893 17519
5412 1 10 . 1 1 71 71 SER N N 600 117.252 117.252 115.632 1.620 17519
5413 1 10 . 1 1 71 71 SER HA H 600 5.141 5.141 4.397 0.744 17519
5414 1 10 . 1 1 71 71 SER CA C 600 55.907 55.907 61.006 -5.099 17519
5415 1 10 . 1 1 71 71 SER H H 600 9.328 9.328 8.522 0.806 17519
5416 1 10 . 1 1 72 72 ASN N N 601 123.197 123.197 118.251 4.946 17519
5417 1 10 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.879 -0.450 17519
5418 1 10 . 1 1 72 72 ASN C C 601 176.895 176.895 175.179 1.716 17519
5419 1 10 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.543 -0.450 17519
5420 1 10 . 1 1 72 72 ASN CB C 601 39.150 39.150 39.262 -0.112 17519
5421 1 10 . 1 1 72 72 ASN H H 601 8.715 8.715 8.561 0.154 17519
5422 1 10 . 1 1 73 73 ASN N N 602 116.099 116.099 118.922 -2.823 17519
5423 1 10 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.399 0.045 17519
5424 1 10 . 1 1 73 73 ASN C C 602 176.304 176.304 174.210 2.094 17519
5425 1 10 . 1 1 73 73 ASN CA C 602 54.465 54.465 56.024 -1.559 17519
5426 1 10 . 1 1 73 73 ASN CB C 602 37.277 37.277 37.961 -0.683 17519
5427 1 10 . 1 1 73 73 ASN H H 602 9.184 9.184 8.602 0.582 17519
5428 1 10 . 1 1 74 74 THR N N 603 110.445 110.445 109.955 0.490 17519
5429 1 10 . 1 1 74 74 THR HA H 603 3.835 3.835 4.349 -0.514 17519
5430 1 10 . 1 1 74 74 THR C C 603 173.186 173.186 173.326 -0.140 17519
5431 1 10 . 1 1 74 74 THR CA C 603 65.006 65.006 63.064 1.942 17519
5432 1 10 . 1 1 74 74 THR CB C 603 69.653 69.653 69.679 -0.026 17519
5433 1 10 . 1 1 74 74 THR H H 603 7.829 7.829 7.973 -0.144 17519
5434 1 10 . 1 1 75 75 LYS N N 604 121.909 121.909 121.348 0.561 17519
5435 1 10 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.464 -0.327 17519
5436 1 10 . 1 1 75 75 LYS C C 604 177.262 177.262 175.421 1.841 17519
5437 1 10 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.095 1.672 17519
5438 1 10 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.135 -0.759 17519
5439 1 10 . 1 1 75 75 LYS H H 604 7.714 7.714 8.087 -0.373 17519
5440 1 10 . 1 1 76 76 ASN N N 605 108.823 108.823 118.133 -9.310 17519
5441 1 10 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.514 -0.574 17519
5442 1 10 . 1 1 76 76 ASN C C 605 171.742 171.742 174.721 -2.979 17519
5443 1 10 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.173 -0.014 17519
5444 1 10 . 1 1 76 76 ASN CB C 605 39.027 39.027 39.087 -0.060 17519
5445 1 10 . 1 1 76 76 ASN H H 605 8.274 8.274 7.908 0.366 17519
5446 1 10 . 1 1 77 77 TYR N N 606 117.628 117.628 117.428 0.200 17519
5447 1 10 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.622 0.205 17519
5448 1 10 . 1 1 77 77 TYR C C 606 174.468 174.468 173.841 0.627 17519
5449 1 10 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.398 0.171 17519
5450 1 10 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.589 -0.034 17519
5451 1 10 . 1 1 77 77 TYR H H 606 9.055 9.055 8.508 0.547 17519
5452 1 10 . 1 1 78 78 LEU N N 607 121.811 121.811 122.417 -0.606 17519
5453 1 10 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.152 1.151 17519
5454 1 10 . 1 1 78 78 LEU C C 607 175.673 175.673 175.690 -0.017 17519
5455 1 10 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.343 -1.099 17519
5456 1 10 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.420 1.551 17519
5457 1 10 . 1 1 78 78 LEU H H 607 7.983 7.983 8.355 -0.372 17519
5458 1 10 . 1 1 79 79 PHE N N 608 121.390 121.390 123.031 -1.641 17519
5459 1 10 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.937 -0.110 17519
5460 1 10 . 1 1 79 79 PHE C C 608 175.786 175.786 175.170 0.616 17519
5461 1 10 . 1 1 79 79 PHE CA C 608 56.851 56.851 55.908 0.943 17519
5462 1 10 . 1 1 79 79 PHE CB C 608 42.563 42.563 41.840 0.723 17519
5463 1 10 . 1 1 79 79 PHE H H 608 9.240 9.240 8.687 0.553 17519
5464 1 10 . 1 1 80 80 SER N N 609 117.589 117.589 115.825 1.764 17519
5465 1 10 . 1 1 80 80 SER HA H 609 4.979 4.979 4.792 0.187 17519
5466 1 10 . 1 1 80 80 SER C C 609 173.269 173.269 174.637 -1.368 17519
5467 1 10 . 1 1 80 80 SER CA C 609 57.811 57.811 56.220 1.591 17519
5468 1 10 . 1 1 80 80 SER CB C 609 64.856 64.856 64.458 0.398 17519
5469 1 10 . 1 1 80 80 SER H H 609 8.948 8.948 8.590 0.358 17519
5470 1 10 . 1 1 81 81 THR N N 610 112.845 112.845 114.040 -1.195 17519
5471 1 10 . 1 1 81 81 THR HA H 610 3.871 3.871 4.179 -0.308 17519
5472 1 10 . 1 1 81 81 THR C C 610 174.439 174.439 175.000 -0.561 17519
5473 1 10 . 1 1 81 81 THR CA C 610 64.353 64.353 63.291 1.062 17519
5474 1 10 . 1 1 81 81 THR CB C 610 69.421 69.421 69.301 0.120 17519
5475 1 10 . 1 1 82 82 GLY N N 611 112.157 112.157 111.878 0.279 17519
5476 1 10 . 1 1 82 82 GLY C C 611 174.430 174.430 172.697 1.733 17519
5477 1 10 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.716 -0.850 17519
5478 1 10 . 1 1 82 82 GLY H H 611 8.468 8.468 8.078 0.390 17519
5479 1 10 . 1 1 83 83 THR N N 612 120.992 120.992 120.570 0.422 17519
5480 1 10 . 1 1 83 83 THR HA H 612 5.483 5.483 4.902 0.581 17519
5481 1 10 . 1 1 83 83 THR C C 612 174.819 174.819 173.683 1.136 17519
5482 1 10 . 1 1 83 83 THR CA C 612 62.563 62.563 61.833 0.730 17519
5483 1 10 . 1 1 83 83 THR CB C 612 70.093 70.093 70.773 -0.680 17519
5484 1 10 . 1 1 83 83 THR H H 612 8.736 8.736 8.288 0.448 17519
5485 1 10 . 1 1 84 84 SER N N 613 122.602 122.602 122.571 0.031 17519
5486 1 10 . 1 1 84 84 SER HA H 613 5.489 5.489 5.047 0.442 17519
5487 1 10 . 1 1 84 84 SER C C 613 172.064 172.064 172.970 -0.906 17519
5488 1 10 . 1 1 84 84 SER CA C 613 58.813 58.813 57.511 1.302 17519
5489 1 10 . 1 1 84 84 SER CB C 613 67.694 67.694 67.002 0.692 17519
5490 1 10 . 1 1 84 84 SER H H 613 9.051 9.051 9.198 -0.147 17519
5491 1 10 . 1 1 85 85 THR N N 614 117.759 117.759 118.317 -0.558 17519
5492 1 10 . 1 1 85 85 THR HA H 614 5.256 5.256 5.073 0.183 17519
5493 1 10 . 1 1 85 85 THR C C 614 173.632 173.632 172.790 0.842 17519
5494 1 10 . 1 1 85 85 THR CA C 614 62.724 62.724 61.904 0.820 17519
5495 1 10 . 1 1 85 85 THR CB C 614 70.908 70.908 71.268 -0.360 17519
5496 1 10 . 1 1 85 85 THR H H 614 9.523 9.523 8.767 0.756 17519
5497 1 10 . 1 1 86 86 TYR N N 615 131.519 131.519 128.763 2.756 17519
5498 1 10 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.980 0.233 17519
5499 1 10 . 1 1 86 86 TYR C C 615 172.999 172.999 175.053 -2.054 17519
5500 1 10 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.023 1.140 17519
5501 1 10 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.365 1.204 17519
5502 1 10 . 1 1 86 86 TYR H H 615 10.029 10.029 9.428 0.601 17519
5503 1 10 . 1 1 87 87 THR N N 616 124.674 124.674 123.459 1.215 17519
5504 1 10 . 1 1 87 87 THR HA H 616 4.370 4.370 4.750 -0.380 17519
5505 1 10 . 1 1 87 87 THR CA C 616 58.725 58.725 59.480 -0.755 17519
5506 1 10 . 1 1 87 87 THR CB C 616 70.070 70.070 69.963 0.107 17519
5507 1 10 . 1 1 87 87 THR H H 616 8.027 8.027 9.444 -1.417 17519
5508 1 10 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.627 -0.535 17519
5509 1 10 . 1 1 88 88 PRO C C 617 177.011 177.011 176.938 0.073 17519
5510 1 10 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.121 0.766 17519
5511 1 10 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.836 -0.512 17519
5512 1 10 . 1 1 89 89 GLY N N 618 108.881 108.881 105.989 2.892 17519
5513 1 10 . 1 1 89 89 GLY C C 618 173.673 173.673 173.503 0.170 17519
5514 1 10 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.133 -0.137 17519
5515 1 10 . 1 1 89 89 GLY H H 618 8.261 8.261 8.276 -0.015 17519
5516 1 10 . 1 1 90 90 SER N N 619 114.743 114.743 116.413 -1.670 17519
5517 1 10 . 1 1 90 90 SER HA H 619 4.537 4.537 4.297 0.240 17519
5518 1 10 . 1 1 90 90 SER C C 619 175.706 175.706 174.604 1.102 17519
5519 1 10 . 1 1 90 90 SER CA C 619 57.617 57.617 59.351 -1.734 17519
5520 1 10 . 1 1 90 90 SER CB C 619 64.294 64.294 62.811 1.483 17519
5521 1 10 . 1 1 90 90 SER H H 619 8.380 8.380 8.404 -0.024 17519
5522 1 10 . 1 1 91 91 ASN N N 620 121.360 121.360 123.013 -1.653 17519
5523 1 10 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.726 -0.314 17519
5524 1 10 . 1 1 91 91 ASN C C 620 175.289 175.289 174.793 0.496 17519
5525 1 10 . 1 1 91 91 ASN CA C 620 54.353 54.353 54.108 0.245 17519
5526 1 10 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.735 -0.002 17519
5527 1 10 . 1 1 91 91 ASN H H 620 9.296 9.296 8.891 0.405 17519
5528 1 10 . 1 1 92 92 GLY N N 621 105.883 105.883 105.360 0.523 17519
5529 1 10 . 1 1 92 92 GLY C C 621 174.510 174.510 173.197 1.313 17519
5530 1 10 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.819 -0.590 17519
5531 1 10 . 1 1 92 92 GLY H H 621 8.528 8.528 8.568 -0.040 17519
5532 1 10 . 1 1 93 93 ALA N N 622 123.803 123.803 122.563 1.240 17519
5533 1 10 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.576 -0.160 17519
5534 1 10 . 1 1 93 93 ALA C C 622 176.820 176.820 176.436 0.384 17519
5535 1 10 . 1 1 93 93 ALA CA C 622 51.851 51.851 51.337 0.514 17519
5536 1 10 . 1 1 93 93 ALA CB C 622 19.804 19.804 19.370 0.434 17519
5537 1 10 . 1 1 93 93 ALA H H 622 7.486 7.486 7.835 -0.349 17519
5538 1 10 . 1 1 94 94 ALA N N 623 123.284 123.284 126.303 -3.019 17519
5539 1 10 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.154 0.436 17519
5540 1 10 . 1 1 94 94 ALA C C 623 178.770 178.770 176.008 2.762 17519
5541 1 10 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.436 0.191 17519
5542 1 10 . 1 1 94 94 ALA CB C 623 20.087 20.087 18.867 1.220 17519
5543 1 10 . 1 1 94 94 ALA H H 623 8.397 8.397 8.667 -0.270 17519
5544 1 10 . 1 1 95 95 GLY N N 624 108.970 108.970 106.650 2.320 17519
5545 1 10 . 1 1 95 95 GLY C C 624 173.156 173.156 172.476 0.680 17519
5546 1 10 . 1 1 95 95 GLY CA C 624 44.857 44.857 45.693 -0.836 17519
5547 1 10 . 1 1 95 95 GLY H H 624 8.438 8.438 8.488 -0.050 17519
5548 1 10 . 1 1 96 96 THR N N 625 108.929 108.929 115.447 -6.518 17519
5549 1 10 . 1 1 96 96 THR HA H 625 4.603 4.603 4.796 -0.193 17519
5550 1 10 . 1 1 96 96 THR C C 625 172.765 172.765 172.969 -0.204 17519
5551 1 10 . 1 1 96 96 THR CA C 625 60.350 60.350 59.233 1.117 17519
5552 1 10 . 1 1 96 96 THR CB C 625 72.295 72.295 71.726 0.569 17519
5553 1 10 . 1 1 96 96 THR H H 625 7.833 7.833 8.706 -0.873 17519
5554 1 10 . 1 1 97 97 ILE N N 626 123.623 123.623 120.950 2.673 17519
5555 1 10 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.219 -0.402 17519
5556 1 10 . 1 1 97 97 ILE C C 626 175.596 175.596 175.399 0.197 17519
5557 1 10 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.636 1.413 17519
5558 1 10 . 1 1 97 97 ILE CB C 626 41.178 41.178 40.291 0.887 17519
5559 1 10 . 1 1 97 97 ILE H H 626 8.594 8.594 8.283 0.311 17519
5560 1 10 . 1 1 98 98 ARG N N 627 127.431 127.431 127.175 0.256 17519
5561 1 10 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.699 0.236 17519
5562 1 10 . 1 1 98 98 ARG C C 627 175.183 175.183 175.354 -0.171 17519
5563 1 10 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.038 -0.270 17519
5564 1 10 . 1 1 98 98 ARG CB C 627 33.776 33.776 33.022 0.754 17519
5565 1 10 . 1 1 98 98 ARG H H 627 8.979 8.979 9.061 -0.082 17519
5566 1 10 . 1 1 99 99 THR N N 628 118.452 118.452 118.553 -0.101 17519
5567 1 10 . 1 1 99 99 THR HA H 628 4.410 4.410 4.454 -0.044 17519
5568 1 10 . 1 1 99 99 THR C C 628 174.845 174.845 175.025 -0.180 17519
5569 1 10 . 1 1 99 99 THR CA C 628 63.962 63.962 62.136 1.827 17519
5570 1 10 . 1 1 99 99 THR CB C 628 69.488 69.488 69.035 0.453 17519
5571 1 10 . 1 1 99 99 THR H H 628 8.697 8.697 8.473 0.224 17519
5572 1 10 . 1 1 100 100 GLY N N 629 114.137 114.137 111.738 2.399 17519
5573 1 10 . 1 1 100 100 GLY C C 629 171.903 171.903 172.857 -0.954 17519
5574 1 10 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.245 -0.498 17519
5575 1 10 . 1 1 100 100 GLY H H 629 8.626 8.626 8.263 0.363 17519
5576 1 10 . 1 1 101 101 ALA N N 630 120.627 120.627 126.034 -5.407 17519
5577 1 10 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.196 -0.504 17519
5578 1 10 . 1 1 101 101 ALA CA C 630 49.428 49.428 51.180 -1.752 17519
5579 1 10 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.882 -0.811 17519
5580 1 10 . 1 1 101 101 ALA H H 630 7.980 7.980 8.265 -0.285 17519
5581 1 10 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.365 -0.240 17519
5582 1 10 . 1 1 102 102 PRO C C 631 175.721 175.721 177.107 -1.386 17519
5583 1 10 . 1 1 102 102 PRO CA C 631 62.940 62.940 61.720 1.220 17519
5584 1 10 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.326 -0.581 17519
5585 1 10 . 1 1 103 103 SER N N 632 113.689 113.689 115.681 -1.992 17519
5586 1 10 . 1 1 103 103 SER HA H 632 4.295 4.295 4.285 0.010 17519
5587 1 10 . 1 1 103 103 SER C C 632 173.816 173.816 174.644 -0.828 17519
5588 1 10 . 1 1 103 103 SER CA C 632 57.689 57.689 58.977 -1.288 17519
5589 1 10 . 1 1 103 103 SER CB C 632 64.133 64.133 61.396 2.737 17519
5590 1 10 . 1 1 103 103 SER H H 632 7.969 7.969 8.503 -0.534 17519
5591 1 11 . 1 1 2 2 GLY C C 531 174.309 174.309 174.338 -0.029 17519
5592 1 11 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.918 -0.742 17519
5593 1 11 . 1 1 3 3 THR N N 532 113.802 113.802 112.403 1.399 17519
5594 1 11 . 1 1 3 3 THR HA H 532 4.429 4.429 4.919 -0.490 17519
5595 1 11 . 1 1 3 3 THR C C 532 174.430 174.430 173.625 0.805 17519
5596 1 11 . 1 1 3 3 THR CA C 532 61.577 61.577 61.118 0.459 17519
5597 1 11 . 1 1 3 3 THR CB C 532 69.849 69.849 70.521 -0.672 17519
5598 1 11 . 1 1 3 3 THR H H 532 8.140 8.140 7.756 0.384 17519
5599 1 11 . 1 1 4 4 THR N N 533 115.407 115.407 120.554 -5.147 17519
5600 1 11 . 1 1 4 4 THR HA H 533 4.350 4.350 4.425 -0.075 17519
5601 1 11 . 1 1 4 4 THR C C 533 173.831 173.831 173.156 0.675 17519
5602 1 11 . 1 1 4 4 THR CA C 533 60.266 60.266 62.346 -2.080 17519
5603 1 11 . 1 1 4 4 THR CB C 533 69.788 69.788 70.233 -0.445 17519
5604 1 11 . 1 1 4 4 THR H H 533 8.019 8.019 9.235 -1.216 17519
5605 1 11 . 1 1 5 5 ASN N N 534 121.822 121.822 120.599 1.223 17519
5606 1 11 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.770 0.066 17519
5607 1 11 . 1 1 5 5 ASN C C 534 174.057 174.057 174.138 -0.081 17519
5608 1 11 . 1 1 5 5 ASN CA C 534 52.686 52.686 53.788 -1.101 17519
5609 1 11 . 1 1 5 5 ASN CB C 534 39.156 39.156 39.156 -0.000 17519
5610 1 11 . 1 1 5 5 ASN H H 534 8.863 8.863 8.469 0.394 17519
5611 1 11 . 1 1 6 6 LYS N N 535 119.369 119.369 118.939 0.430 17519
5612 1 11 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.068 0.117 17519
5613 1 11 . 1 1 6 6 LYS C C 535 175.924 175.924 175.170 0.754 17519
5614 1 11 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.057 -0.526 17519
5615 1 11 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.625 -0.609 17519
5616 1 11 . 1 1 6 6 LYS H H 535 8.347 8.347 8.156 0.191 17519
5617 1 11 . 1 1 7 7 VAL N N 536 123.112 123.112 121.688 1.424 17519
5618 1 11 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.372 0.201 17519
5619 1 11 . 1 1 7 7 VAL C C 536 174.602 174.602 175.452 -0.850 17519
5620 1 11 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.642 0.503 17519
5621 1 11 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.841 1.932 17519
5622 1 11 . 1 1 7 7 VAL H H 536 8.828 8.828 8.927 -0.099 17519
5623 1 11 . 1 1 8 8 THR N N 537 125.255 125.255 124.237 1.018 17519
5624 1 11 . 1 1 8 8 THR HA H 537 5.396 5.396 5.042 0.354 17519
5625 1 11 . 1 1 8 8 THR C C 537 173.129 173.129 173.651 -0.522 17519
5626 1 11 . 1 1 8 8 THR CA C 537 61.611 61.611 62.593 -0.982 17519
5627 1 11 . 1 1 8 8 THR CB C 537 70.113 70.113 69.981 0.132 17519
5628 1 11 . 1 1 8 8 THR H H 537 8.914 8.914 8.329 0.585 17519
5629 1 11 . 1 1 9 9 VAL N N 538 126.696 126.696 126.903 -0.207 17519
5630 1 11 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.763 -0.229 17519
5631 1 11 . 1 1 9 9 VAL C C 538 175.565 175.565 174.394 1.171 17519
5632 1 11 . 1 1 9 9 VAL CA C 538 60.879 60.879 61.209 -0.330 17519
5633 1 11 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.400 0.779 17519
5634 1 11 . 1 1 9 9 VAL H H 538 8.585 8.585 9.003 -0.418 17519
5635 1 11 . 1 1 10 10 TYR N N 539 124.488 124.488 127.710 -3.222 17519
5636 1 11 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.331 -0.073 17519
5637 1 11 . 1 1 10 10 TYR C C 539 174.309 174.309 174.768 -0.459 17519
5638 1 11 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.880 0.386 17519
5639 1 11 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.736 -0.326 17519
5640 1 11 . 1 1 10 10 TYR H H 539 9.111 9.111 8.822 0.289 17519
5641 1 11 . 1 1 11 11 TYR N N 540 125.848 125.848 127.570 -1.722 17519
5642 1 11 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.694 -0.668 17519
5643 1 11 . 1 1 11 11 TYR C C 540 173.346 173.346 174.053 -0.707 17519
5644 1 11 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.616 0.986 17519
5645 1 11 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.868 0.090 17519
5646 1 11 . 1 1 11 11 TYR H H 540 9.580 9.580 8.989 0.591 17519
5647 1 11 . 1 1 12 12 LYS N N 541 131.489 131.489 127.724 3.765 17519
5648 1 11 . 1 1 12 12 LYS HA H 541 3.452 3.452 4.098 -0.646 17519
5649 1 11 . 1 1 12 12 LYS C C 541 172.904 172.904 175.019 -2.115 17519
5650 1 11 . 1 1 12 12 LYS CA C 541 55.715 55.715 55.395 0.320 17519
5651 1 11 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.067 0.030 17519
5652 1 11 . 1 1 12 12 LYS H H 541 8.406 8.406 7.923 0.483 17519
5653 1 11 . 1 1 13 13 LYS N N 542 125.132 125.132 127.194 -2.062 17519
5654 1 11 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.416 -0.478 17519
5655 1 11 . 1 1 13 13 LYS C C 542 180.078 180.078 176.055 4.023 17519
5656 1 11 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.894 -4.458 17519
5657 1 11 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.955 -1.350 17519
5658 1 11 . 1 1 13 13 LYS H H 542 7.515 7.515 7.745 -0.230 17519
5659 1 11 . 1 1 14 14 GLY N N 543 112.724 112.724 112.550 0.174 17519
5660 1 11 . 1 1 14 14 GLY C C 543 174.151 174.151 172.875 1.276 17519
5661 1 11 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.511 1.779 17519
5662 1 11 . 1 1 14 14 GLY H H 543 7.629 7.629 8.096 -0.467 17519
5663 1 11 . 1 1 15 15 PHE N N 544 121.583 121.583 119.780 1.803 17519
5664 1 11 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.939 -0.217 17519
5665 1 11 . 1 1 15 15 PHE C C 544 175.876 175.876 175.991 -0.115 17519
5666 1 11 . 1 1 15 15 PHE CA C 544 57.110 57.110 57.332 -0.222 17519
5667 1 11 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.112 -1.721 17519
5668 1 11 . 1 1 15 15 PHE H H 544 8.557 8.557 8.356 0.201 17519
5669 1 11 . 1 1 16 16 ASN N N 545 117.559 117.559 118.111 -0.552 17519
5670 1 11 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.892 -0.428 17519
5671 1 11 . 1 1 16 16 ASN C C 545 176.289 176.289 175.040 1.249 17519
5672 1 11 . 1 1 16 16 ASN CA C 545 56.420 56.420 54.049 2.371 17519
5673 1 11 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.671 -0.408 17519
5674 1 11 . 1 1 16 16 ASN H H 545 8.561 8.561 8.567 -0.006 17519
5675 1 11 . 1 1 17 17 SER N N 546 112.901 112.901 114.043 -1.142 17519
5676 1 11 . 1 1 17 17 SER HA H 546 4.862 4.862 4.875 -0.013 17519
5677 1 11 . 1 1 17 17 SER CA C 546 53.586 53.586 55.794 -2.208 17519
5678 1 11 . 1 1 17 17 SER CB C 546 63.708 63.708 63.437 0.271 17519
5679 1 11 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.276 0.317 17519
5680 1 11 . 1 1 18 18 PRO C C 547 175.806 175.806 175.090 0.716 17519
5681 1 11 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.402 0.119 17519
5682 1 11 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.290 0.373 17519
5683 1 11 . 1 1 19 19 TYR N N 548 122.230 122.230 121.115 1.115 17519
5684 1 11 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.564 0.313 17519
5685 1 11 . 1 1 19 19 TYR C C 548 174.660 174.660 174.432 0.228 17519
5686 1 11 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.137 -0.477 17519
5687 1 11 . 1 1 19 19 TYR CB C 548 40.462 40.462 43.158 -2.696 17519
5688 1 11 . 1 1 19 19 TYR H H 548 9.141 9.141 8.191 0.950 17519
5689 1 11 . 1 1 20 20 ILE N N 549 118.425 118.425 117.065 1.360 17519
5690 1 11 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.764 0.308 17519
5691 1 11 . 1 1 20 20 ILE C C 549 171.422 171.422 173.202 -1.780 17519
5692 1 11 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.723 -0.294 17519
5693 1 11 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.271 0.485 17519
5694 1 11 . 1 1 21 21 HIS N N 550 133.248 133.248 126.144 7.104 17519
5695 1 11 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.702 0.661 17519
5696 1 11 . 1 1 21 21 HIS C C 550 174.988 174.988 173.335 1.653 17519
5697 1 11 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.036 -0.121 17519
5698 1 11 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.490 2.284 17519
5699 1 11 . 1 1 21 21 HIS H H 550 8.956 8.956 8.332 0.624 17519
5700 1 11 . 1 1 22 22 TYR N N 551 121.831 121.831 122.853 -1.022 17519
5701 1 11 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.679 0.504 17519
5702 1 11 . 1 1 22 22 TYR C C 551 173.934 173.934 173.496 0.438 17519
5703 1 11 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.700 1.968 17519
5704 1 11 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.246 1.472 17519
5705 1 11 . 1 1 22 22 TYR H H 551 8.204 8.204 8.318 -0.114 17519
5706 1 11 . 1 1 23 23 ARG N N 552 115.619 115.619 117.328 -1.709 17519
5707 1 11 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.925 -0.163 17519
5708 1 11 . 1 1 23 23 ARG CA C 552 52.480 52.480 53.046 -0.566 17519
5709 1 11 . 1 1 23 23 ARG CB C 552 32.038 32.038 32.566 -0.528 17519
5710 1 11 . 1 1 23 23 ARG H H 552 8.674 8.674 9.065 -0.391 17519
5711 1 11 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.462 0.094 17519
5712 1 11 . 1 1 24 24 PRO C C 553 176.736 176.736 176.785 -0.049 17519
5713 1 11 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.278 0.075 17519
5714 1 11 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.614 -0.734 17519
5715 1 11 . 1 1 25 25 ALA N N 554 125.908 125.908 126.040 -0.132 17519
5716 1 11 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.897 0.125 17519
5717 1 11 . 1 1 25 25 ALA C C 554 179.217 179.217 177.471 1.746 17519
5718 1 11 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.573 -0.488 17519
5719 1 11 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.879 -0.647 17519
5720 1 11 . 1 1 25 25 ALA H H 554 8.293 8.293 8.259 0.034 17519
5721 1 11 . 1 1 26 26 GLY N N 555 111.766 111.766 105.603 6.163 17519
5722 1 11 . 1 1 26 26 GLY C C 555 174.796 174.796 173.649 1.147 17519
5723 1 11 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.626 1.015 17519
5724 1 11 . 1 1 26 26 GLY H H 555 8.602 8.602 7.999 0.603 17519
5725 1 11 . 1 1 27 27 GLY N N 556 109.512 109.512 111.586 -2.074 17519
5726 1 11 . 1 1 27 27 GLY C C 556 173.368 173.368 173.280 0.088 17519
5727 1 11 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.902 -1.696 17519
5728 1 11 . 1 1 27 27 GLY H H 556 8.494 8.494 8.228 0.266 17519
5729 1 11 . 1 1 28 28 SER N N 557 117.962 117.962 115.028 2.934 17519
5730 1 11 . 1 1 28 28 SER HA H 557 4.690 4.690 4.708 -0.018 17519
5731 1 11 . 1 1 28 28 SER C C 557 173.656 173.656 172.487 1.169 17519
5732 1 11 . 1 1 28 28 SER CA C 557 57.492 57.492 56.982 0.510 17519
5733 1 11 . 1 1 28 28 SER CB C 557 64.803 64.803 64.443 0.360 17519
5734 1 11 . 1 1 28 28 SER H H 557 8.681 8.681 7.753 0.928 17519
5735 1 11 . 1 1 29 29 TRP N N 558 123.928 123.928 120.782 3.146 17519
5736 1 11 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.801 -0.349 17519
5737 1 11 . 1 1 29 29 TRP C C 558 178.891 178.891 176.709 2.182 17519
5738 1 11 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.854 1.220 17519
5739 1 11 . 1 1 29 29 TRP CB C 558 30.706 30.706 31.514 -0.808 17519
5740 1 11 . 1 1 29 29 TRP H H 558 8.392 8.392 8.514 -0.122 17519
5741 1 11 . 1 1 30 30 THR N N 559 111.067 111.067 117.994 -6.927 17519
5742 1 11 . 1 1 30 30 THR HA H 559 4.037 4.037 4.442 -0.405 17519
5743 1 11 . 1 1 30 30 THR C C 559 174.782 174.782 174.392 0.390 17519
5744 1 11 . 1 1 30 30 THR CA C 559 61.321 61.321 63.209 -1.888 17519
5745 1 11 . 1 1 30 30 THR CB C 559 70.561 70.561 70.211 0.350 17519
5746 1 11 . 1 1 30 30 THR H H 559 7.953 7.953 8.635 -0.682 17519
5747 1 11 . 1 1 31 31 ALA N N 560 123.046 123.046 123.997 -0.951 17519
5748 1 11 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.255 0.196 17519
5749 1 11 . 1 1 31 31 ALA C C 560 178.493 178.493 176.576 1.917 17519
5750 1 11 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.123 -0.209 17519
5751 1 11 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.694 -0.695 17519
5752 1 11 . 1 1 31 31 ALA H H 560 8.437 8.437 8.481 -0.044 17519
5753 1 11 . 1 1 32 32 ALA N N 561 129.644 129.644 127.764 1.880 17519
5754 1 11 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.024 -0.083 17519
5755 1 11 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.975 1.781 17519
5756 1 11 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.386 -2.236 17519
5757 1 11 . 1 1 32 32 ALA H H 561 8.828 8.828 8.247 0.581 17519
5758 1 11 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.335 -0.437 17519
5759 1 11 . 1 1 33 33 PRO C C 562 173.280 173.280 176.733 -3.453 17519
5760 1 11 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.092 1.347 17519
5761 1 11 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.531 -0.020 17519
5762 1 11 . 1 1 34 34 GLY N N 563 112.224 112.224 109.393 2.831 17519
5763 1 11 . 1 1 34 34 GLY C C 563 173.977 173.977 174.047 -0.070 17519
5764 1 11 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.142 -2.193 17519
5765 1 11 . 1 1 34 34 GLY H H 563 8.763 8.763 8.051 0.712 17519
5766 1 11 . 1 1 35 35 VAL N N 564 123.427 123.427 117.617 5.810 17519
5767 1 11 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.397 0.004 17519
5768 1 11 . 1 1 35 35 VAL C C 564 174.734 174.734 174.674 0.060 17519
5769 1 11 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.495 1.393 17519
5770 1 11 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.733 -0.832 17519
5771 1 11 . 1 1 36 36 LYS N N 565 128.212 128.212 123.859 4.353 17519
5772 1 11 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.569 -0.460 17519
5773 1 11 . 1 1 36 36 LYS C C 565 176.437 176.437 176.302 0.135 17519
5774 1 11 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.241 1.946 17519
5775 1 11 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.860 0.554 17519
5776 1 11 . 1 1 36 36 LYS H H 565 8.486 8.486 8.162 0.324 17519
5777 1 11 . 1 1 37 37 MET N N 566 124.964 124.964 124.271 0.693 17519
5778 1 11 . 1 1 37 37 MET HA H 566 4.228 4.228 4.072 0.156 17519
5779 1 11 . 1 1 37 37 MET C C 566 175.652 175.652 175.855 -0.203 17519
5780 1 11 . 1 1 37 37 MET CA C 566 56.485 56.485 57.412 -0.927 17519
5781 1 11 . 1 1 37 37 MET CB C 566 35.011 35.011 32.418 2.593 17519
5782 1 11 . 1 1 37 37 MET H H 566 8.202 8.202 8.168 0.034 17519
5783 1 11 . 1 1 38 38 GLN N N 567 121.561 121.561 123.206 -1.645 17519
5784 1 11 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.463 -0.026 17519
5785 1 11 . 1 1 38 38 GLN C C 567 175.809 175.809 175.185 0.624 17519
5786 1 11 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.779 0.043 17519
5787 1 11 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.538 -0.356 17519
5788 1 11 . 1 1 38 38 GLN H H 567 8.489 8.489 8.160 0.329 17519
5789 1 11 . 1 1 39 39 ASP N N 568 121.881 121.881 125.130 -3.249 17519
5790 1 11 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.645 0.138 17519
5791 1 11 . 1 1 39 39 ASP C C 568 176.715 176.715 175.892 0.823 17519
5792 1 11 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.393 0.774 17519
5793 1 11 . 1 1 39 39 ASP CB C 568 40.239 40.239 40.533 -0.294 17519
5794 1 11 . 1 1 39 39 ASP H H 568 8.780 8.780 8.695 0.085 17519
5795 1 11 . 1 1 40 40 ALA N N 569 122.696 122.696 126.931 -4.235 17519
5796 1 11 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.089 0.263 17519
5797 1 11 . 1 1 40 40 ALA C C 569 175.165 175.165 177.528 -2.363 17519
5798 1 11 . 1 1 40 40 ALA CA C 569 50.493 50.493 52.190 -1.697 17519
5799 1 11 . 1 1 40 40 ALA CB C 569 21.735 21.735 19.947 1.788 17519
5800 1 11 . 1 1 40 40 ALA H H 569 8.463 8.463 8.196 0.267 17519
5801 1 11 . 1 1 41 41 GLU N N 570 120.083 120.083 117.551 2.532 17519
5802 1 11 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.510 -0.159 17519
5803 1 11 . 1 1 41 41 GLU C C 570 174.683 174.683 177.669 -2.986 17519
5804 1 11 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.634 0.891 17519
5805 1 11 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.244 -3.013 17519
5806 1 11 . 1 1 41 41 GLU H H 570 10.398 10.398 8.537 1.861 17519
5807 1 11 . 1 1 42 42 ILE N N 571 119.363 119.363 120.581 -1.218 17519
5808 1 11 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.197 0.182 17519
5809 1 11 . 1 1 42 42 ILE C C 571 174.913 174.913 176.331 -1.418 17519
5810 1 11 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.547 -3.727 17519
5811 1 11 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.428 1.158 17519
5812 1 11 . 1 1 42 42 ILE H H 571 6.526 6.526 8.107 -1.581 17519
5813 1 11 . 1 1 43 43 SER N N 572 121.258 121.258 114.402 6.856 17519
5814 1 11 . 1 1 43 43 SER HA H 572 4.352 4.352 4.522 -0.170 17519
5815 1 11 . 1 1 43 43 SER C C 572 175.617 175.617 173.616 2.001 17519
5816 1 11 . 1 1 43 43 SER CA C 572 60.125 60.125 58.225 1.900 17519
5817 1 11 . 1 1 43 43 SER CB C 572 63.063 63.063 63.676 -0.613 17519
5818 1 11 . 1 1 43 43 SER H H 572 8.618 8.618 8.147 0.471 17519
5819 1 11 . 1 1 44 44 GLY N N 573 111.836 111.836 109.766 2.070 17519
5820 1 11 . 1 1 44 44 GLY C C 573 173.828 173.828 172.398 1.430 17519
5821 1 11 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.364 -0.509 17519
5822 1 11 . 1 1 44 44 GLY H H 573 8.691 8.691 8.521 0.170 17519
5823 1 11 . 1 1 45 45 TYR N N 574 116.297 116.297 120.214 -3.917 17519
5824 1 11 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.710 1.051 17519
5825 1 11 . 1 1 45 45 TYR C C 574 175.520 175.520 174.728 0.792 17519
5826 1 11 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.514 -0.995 17519
5827 1 11 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.912 1.005 17519
5828 1 11 . 1 1 45 45 TYR H H 574 7.854 7.854 7.797 0.057 17519
5829 1 11 . 1 1 46 46 ALA N N 575 126.117 126.117 122.861 3.256 17519
5830 1 11 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.788 0.619 17519
5831 1 11 . 1 1 46 46 ALA C C 575 176.096 176.096 175.061 1.035 17519
5832 1 11 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.580 -0.208 17519
5833 1 11 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.684 2.682 17519
5834 1 11 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.387 0.323 17519
5835 1 11 . 1 1 47 47 LYS C C 576 173.794 173.794 174.813 -1.019 17519
5836 1 11 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.296 0.094 17519
5837 1 11 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.013 0.928 17519
5838 1 11 . 1 1 48 48 ILE N N 577 120.000 120.000 121.386 -1.386 17519
5839 1 11 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.559 -0.114 17519
5840 1 11 . 1 1 48 48 ILE C C 577 171.242 171.242 173.488 -2.246 17519
5841 1 11 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.989 0.391 17519
5842 1 11 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.250 0.066 17519
5843 1 11 . 1 1 48 48 ILE H H 577 8.041 8.041 8.955 -0.914 17519
5844 1 11 . 1 1 49 49 THR N N 578 122.357 122.357 120.753 1.604 17519
5845 1 11 . 1 1 49 49 THR HA H 578 5.344 5.344 5.529 -0.185 17519
5846 1 11 . 1 1 49 49 THR C C 578 173.601 173.601 173.732 -0.131 17519
5847 1 11 . 1 1 49 49 THR CA C 578 61.849 61.849 61.082 0.767 17519
5848 1 11 . 1 1 49 49 THR CB C 578 70.593 70.593 71.280 -0.687 17519
5849 1 11 . 1 1 49 49 THR H H 578 8.043 8.043 8.219 -0.176 17519
5850 1 11 . 1 1 50 50 VAL N N 579 126.489 126.489 124.982 1.507 17519
5851 1 11 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.148 -0.008 17519
5852 1 11 . 1 1 50 50 VAL C C 579 174.015 174.015 174.376 -0.361 17519
5853 1 11 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.089 0.163 17519
5854 1 11 . 1 1 50 50 VAL CB C 579 35.153 35.153 34.333 0.820 17519
5855 1 11 . 1 1 50 50 VAL H H 579 9.349 9.349 8.581 0.768 17519
5856 1 11 . 1 1 51 51 ASP N N 580 126.891 126.891 127.673 -0.782 17519
5857 1 11 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.101 -0.234 17519
5858 1 11 . 1 1 51 51 ASP C C 580 176.752 176.752 176.245 0.507 17519
5859 1 11 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.900 -0.374 17519
5860 1 11 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.900 -0.083 17519
5861 1 11 . 1 1 51 51 ASP H H 580 8.616 8.616 8.508 0.108 17519
5862 1 11 . 1 1 52 52 ILE N N 581 118.893 118.893 118.787 0.106 17519
5863 1 11 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.614 -0.026 17519
5864 1 11 . 1 1 52 52 ILE C C 581 176.717 176.717 176.239 0.478 17519
5865 1 11 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.086 0.015 17519
5866 1 11 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.340 -0.285 17519
5867 1 11 . 1 1 52 52 ILE H H 581 8.627 8.627 8.860 -0.233 17519
5868 1 11 . 1 1 53 53 GLY N N 582 114.728 114.728 110.608 4.120 17519
5869 1 11 . 1 1 53 53 GLY C C 582 174.442 174.442 175.113 -0.671 17519
5870 1 11 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.828 0.777 17519
5871 1 11 . 1 1 53 53 GLY H H 582 9.075 9.075 7.898 1.177 17519
5872 1 11 . 1 1 54 54 SER N N 583 120.404 120.404 114.225 6.179 17519
5873 1 11 . 1 1 54 54 SER HA H 583 4.549 4.549 4.590 -0.041 17519
5874 1 11 . 1 1 54 54 SER C C 583 175.149 175.149 172.621 2.528 17519
5875 1 11 . 1 1 54 54 SER CA C 583 58.133 58.133 57.895 0.238 17519
5876 1 11 . 1 1 54 54 SER CB C 583 63.647 63.647 63.132 0.515 17519
5877 1 11 . 1 1 54 54 SER H H 583 8.812 8.812 7.846 0.966 17519
5878 1 11 . 1 1 55 55 ALA N N 584 125.527 125.527 122.105 3.422 17519
5879 1 11 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.674 -0.257 17519
5880 1 11 . 1 1 55 55 ALA C C 584 175.867 175.867 175.437 0.430 17519
5881 1 11 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.147 0.220 17519
5882 1 11 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.597 -0.533 17519
5883 1 11 . 1 1 55 55 ALA H H 584 7.820 7.820 7.877 -0.057 17519
5884 1 11 . 1 1 56 56 SER N N 585 109.786 109.786 114.207 -4.421 17519
5885 1 11 . 1 1 56 56 SER HA H 585 4.564 4.564 4.596 -0.032 17519
5886 1 11 . 1 1 56 56 SER C C 585 173.978 173.978 173.757 0.221 17519
5887 1 11 . 1 1 56 56 SER CA C 585 58.220 58.220 59.059 -0.839 17519
5888 1 11 . 1 1 56 56 SER CB C 585 64.962 64.962 64.036 0.926 17519
5889 1 11 . 1 1 56 56 SER H H 585 8.785 8.785 8.596 0.189 17519
5890 1 11 . 1 1 57 57 GLN N N 586 116.690 116.690 118.739 -2.049 17519
5891 1 11 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.882 0.266 17519
5892 1 11 . 1 1 57 57 GLN C C 586 172.923 172.923 173.211 -0.288 17519
5893 1 11 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.057 -1.061 17519
5894 1 11 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.989 1.550 17519
5895 1 11 . 1 1 57 57 GLN H H 586 7.144 7.144 7.603 -0.459 17519
5896 1 11 . 1 1 58 58 LEU N N 587 123.011 123.011 123.270 -0.259 17519
5897 1 11 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.003 -0.335 17519
5898 1 11 . 1 1 58 58 LEU C C 587 173.426 173.426 174.198 -0.772 17519
5899 1 11 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.969 -0.591 17519
5900 1 11 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.428 1.230 17519
5901 1 11 . 1 1 58 58 LEU H H 587 9.226 9.226 9.219 0.007 17519
5902 1 11 . 1 1 59 59 GLU N N 588 129.185 129.185 124.522 4.663 17519
5903 1 11 . 1 1 59 59 GLU HA H 588 5.309 5.309 4.997 0.312 17519
5904 1 11 . 1 1 59 59 GLU C C 588 175.409 175.409 174.807 0.602 17519
5905 1 11 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.925 0.725 17519
5906 1 11 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.078 -0.030 17519
5907 1 11 . 1 1 59 59 GLU H H 588 8.830 8.830 8.627 0.203 17519
5908 1 11 . 1 1 60 60 ALA N N 589 126.011 126.011 124.959 1.052 17519
5909 1 11 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.233 0.670 17519
5910 1 11 . 1 1 60 60 ALA C C 589 174.861 174.861 175.738 -0.877 17519
5911 1 11 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.428 -0.281 17519
5912 1 11 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.548 2.309 17519
5913 1 11 . 1 1 60 60 ALA H H 589 9.748 9.748 8.724 1.024 17519
5914 1 11 . 1 1 61 61 ALA N N 590 120.783 120.783 125.255 -4.472 17519
5915 1 11 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.159 -0.342 17519
5916 1 11 . 1 1 61 61 ALA C C 590 174.731 174.731 175.206 -0.475 17519
5917 1 11 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.457 0.671 17519
5918 1 11 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.641 0.459 17519
5919 1 11 . 1 1 61 61 ALA H H 590 9.392 9.392 8.899 0.493 17519
5920 1 11 . 1 1 62 62 PHE N N 591 116.572 116.572 118.234 -1.662 17519
5921 1 11 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.873 1.134 17519
5922 1 11 . 1 1 62 62 PHE C C 591 175.059 175.059 174.555 0.504 17519
5923 1 11 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.469 -0.013 17519
5924 1 11 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.807 1.516 17519
5925 1 11 . 1 1 62 62 PHE H H 591 8.394 8.394 8.767 -0.373 17519
5926 1 11 . 1 1 63 63 ASN N N 592 116.166 116.166 119.792 -3.626 17519
5927 1 11 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.511 -0.347 17519
5928 1 11 . 1 1 63 63 ASN C C 592 172.073 172.073 174.940 -2.867 17519
5929 1 11 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.195 2.532 17519
5930 1 11 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.050 0.182 17519
5931 1 11 . 1 1 63 63 ASN H H 592 9.117 9.117 8.572 0.545 17519
5932 1 11 . 1 1 64 64 ASP N N 593 118.039 118.039 119.214 -1.175 17519
5933 1 11 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.155 0.064 17519
5934 1 11 . 1 1 64 64 ASP C C 593 177.248 177.248 176.595 0.653 17519
5935 1 11 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.577 -3.326 17519
5936 1 11 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.132 -0.410 17519
5937 1 11 . 1 1 64 64 ASP H H 593 7.558 7.558 7.955 -0.397 17519
5938 1 11 . 1 1 65 65 GLY N N 594 110.622 110.622 107.345 3.277 17519
5939 1 11 . 1 1 65 65 GLY C C 594 173.126 173.126 173.169 -0.043 17519
5940 1 11 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.071 0.458 17519
5941 1 11 . 1 1 65 65 GLY H H 594 8.742 8.742 7.924 0.818 17519
5942 1 11 . 1 1 66 66 ASN N N 595 120.863 120.863 119.603 1.260 17519
5943 1 11 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.847 -0.090 17519
5944 1 11 . 1 1 66 66 ASN C C 595 174.434 174.434 173.899 0.535 17519
5945 1 11 . 1 1 66 66 ASN CA C 595 52.167 52.167 54.144 -1.977 17519
5946 1 11 . 1 1 66 66 ASN CB C 595 39.388 39.388 39.092 0.296 17519
5947 1 11 . 1 1 66 66 ASN H H 595 8.424 8.424 7.735 0.689 17519
5948 1 11 . 1 1 67 67 ASN N N 596 113.308 113.308 119.505 -6.197 17519
5949 1 11 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.781 -0.551 17519
5950 1 11 . 1 1 67 67 ASN C C 596 173.796 173.796 174.118 -0.322 17519
5951 1 11 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.730 -0.305 17519
5952 1 11 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.760 -1.607 17519
5953 1 11 . 1 1 67 67 ASN H H 596 8.744 8.744 8.735 0.009 17519
5954 1 11 . 1 1 68 68 ASN N N 597 118.418 118.418 121.157 -2.739 17519
5955 1 11 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.097 0.021 17519
5956 1 11 . 1 1 68 68 ASN C C 597 173.474 173.474 173.488 -0.014 17519
5957 1 11 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.116 1.022 17519
5958 1 11 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.037 0.585 17519
5959 1 11 . 1 1 68 68 ASN H H 597 8.032 8.032 8.537 -0.505 17519
5960 1 11 . 1 1 69 69 TRP N N 598 120.990 120.990 122.683 -1.693 17519
5961 1 11 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.071 -0.215 17519
5962 1 11 . 1 1 69 69 TRP C C 598 176.220 176.220 177.037 -0.817 17519
5963 1 11 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.502 0.731 17519
5964 1 11 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.892 1.327 17519
5965 1 11 . 1 1 69 69 TRP H H 598 8.842 8.842 8.488 0.354 17519
5966 1 11 . 1 1 70 70 ASP N N 599 122.210 122.210 126.871 -4.661 17519
5967 1 11 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.149 0.098 17519
5968 1 11 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.946 -0.700 17519
5969 1 11 . 1 1 70 70 ASP CB C 599 41.898 41.898 40.758 1.140 17519
5970 1 11 . 1 1 70 70 ASP H H 599 9.831 9.831 9.058 0.773 17519
5971 1 11 . 1 1 71 71 SER N N 600 117.252 117.252 116.099 1.153 17519
5972 1 11 . 1 1 71 71 SER HA H 600 5.141 5.141 5.095 0.046 17519
5973 1 11 . 1 1 71 71 SER CA C 600 55.907 55.907 59.411 -3.504 17519
5974 1 11 . 1 1 71 71 SER H H 600 9.328 9.328 8.518 0.810 17519
5975 1 11 . 1 1 72 72 ASN N N 601 123.197 123.197 116.187 7.010 17519
5976 1 11 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.690 -0.261 17519
5977 1 11 . 1 1 72 72 ASN C C 601 176.895 176.895 174.036 2.859 17519
5978 1 11 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.459 -1.366 17519
5979 1 11 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.316 0.835 17519
5980 1 11 . 1 1 72 72 ASN H H 601 8.715 8.715 8.348 0.367 17519
5981 1 11 . 1 1 73 73 ASN N N 602 116.099 116.099 117.373 -1.274 17519
5982 1 11 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.728 -0.283 17519
5983 1 11 . 1 1 73 73 ASN C C 602 176.304 176.304 174.208 2.096 17519
5984 1 11 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.588 -0.123 17519
5985 1 11 . 1 1 73 73 ASN CB C 602 37.277 37.277 39.054 -1.777 17519
5986 1 11 . 1 1 73 73 ASN H H 602 9.184 9.184 8.535 0.649 17519
5987 1 11 . 1 1 74 74 THR N N 603 110.445 110.445 112.681 -2.236 17519
5988 1 11 . 1 1 74 74 THR HA H 603 3.835 3.835 4.489 -0.654 17519
5989 1 11 . 1 1 74 74 THR C C 603 173.186 173.186 173.747 -0.561 17519
5990 1 11 . 1 1 74 74 THR CA C 603 65.006 65.006 63.000 2.006 17519
5991 1 11 . 1 1 74 74 THR CB C 603 69.653 69.653 68.742 0.911 17519
5992 1 11 . 1 1 74 74 THR H H 603 7.829 7.829 8.188 -0.359 17519
5993 1 11 . 1 1 75 75 LYS N N 604 121.909 121.909 120.491 1.418 17519
5994 1 11 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.414 -0.277 17519
5995 1 11 . 1 1 75 75 LYS C C 604 177.262 177.262 175.810 1.452 17519
5996 1 11 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.694 2.073 17519
5997 1 11 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.408 -1.032 17519
5998 1 11 . 1 1 75 75 LYS H H 604 7.714 7.714 7.884 -0.170 17519
5999 1 11 . 1 1 76 76 ASN N N 605 108.823 108.823 116.069 -7.246 17519
6000 1 11 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.426 -0.486 17519
6001 1 11 . 1 1 76 76 ASN C C 605 171.742 171.742 174.540 -2.798 17519
6002 1 11 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.722 -0.563 17519
6003 1 11 . 1 1 76 76 ASN CB C 605 39.027 39.027 37.566 1.461 17519
6004 1 11 . 1 1 76 76 ASN H H 605 8.274 8.274 7.979 0.295 17519
6005 1 11 . 1 1 77 77 TYR N N 606 117.628 117.628 118.558 -0.930 17519
6006 1 11 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.562 0.265 17519
6007 1 11 . 1 1 77 77 TYR C C 606 174.468 174.468 174.206 0.262 17519
6008 1 11 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.428 0.141 17519
6009 1 11 . 1 1 77 77 TYR CB C 606 41.555 41.555 42.143 -0.588 17519
6010 1 11 . 1 1 77 77 TYR H H 606 9.055 9.055 8.496 0.559 17519
6011 1 11 . 1 1 78 78 LEU N N 607 121.811 121.811 118.979 2.832 17519
6012 1 11 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.590 0.713 17519
6013 1 11 . 1 1 78 78 LEU C C 607 175.673 175.673 175.033 0.640 17519
6014 1 11 . 1 1 78 78 LEU CA C 607 53.244 53.244 53.566 -0.322 17519
6015 1 11 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.454 1.517 17519
6016 1 11 . 1 1 78 78 LEU H H 607 7.983 7.983 8.179 -0.196 17519
6017 1 11 . 1 1 79 79 PHE N N 608 121.390 121.390 121.211 0.179 17519
6018 1 11 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.913 -0.086 17519
6019 1 11 . 1 1 79 79 PHE C C 608 175.786 175.786 174.891 0.895 17519
6020 1 11 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.633 0.218 17519
6021 1 11 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.531 0.032 17519
6022 1 11 . 1 1 79 79 PHE H H 608 9.240 9.240 8.984 0.256 17519
6023 1 11 . 1 1 80 80 SER N N 609 117.589 117.589 115.783 1.806 17519
6024 1 11 . 1 1 80 80 SER HA H 609 4.979 4.979 4.774 0.205 17519
6025 1 11 . 1 1 80 80 SER C C 609 173.269 173.269 174.560 -1.291 17519
6026 1 11 . 1 1 80 80 SER CA C 609 57.811 57.811 56.248 1.563 17519
6027 1 11 . 1 1 80 80 SER CB C 609 64.856 64.856 65.438 -0.582 17519
6028 1 11 . 1 1 80 80 SER H H 609 8.948 8.948 8.615 0.333 17519
6029 1 11 . 1 1 81 81 THR N N 610 112.845 112.845 115.303 -2.458 17519
6030 1 11 . 1 1 81 81 THR HA H 610 3.871 3.871 4.152 -0.281 17519
6031 1 11 . 1 1 81 81 THR C C 610 174.439 174.439 175.152 -0.713 17519
6032 1 11 . 1 1 81 81 THR CA C 610 64.353 64.353 63.499 0.854 17519
6033 1 11 . 1 1 81 81 THR CB C 610 69.421 69.421 69.284 0.137 17519
6034 1 11 . 1 1 82 82 GLY N N 611 112.157 112.157 110.998 1.159 17519
6035 1 11 . 1 1 82 82 GLY C C 611 174.430 174.430 172.690 1.740 17519
6036 1 11 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.719 -0.853 17519
6037 1 11 . 1 1 82 82 GLY H H 611 8.468 8.468 8.040 0.428 17519
6038 1 11 . 1 1 83 83 THR N N 612 120.992 120.992 118.843 2.149 17519
6039 1 11 . 1 1 83 83 THR HA H 612 5.483 5.483 4.861 0.622 17519
6040 1 11 . 1 1 83 83 THR C C 612 174.819 174.819 173.037 1.782 17519
6041 1 11 . 1 1 83 83 THR CA C 612 62.563 62.563 61.576 0.987 17519
6042 1 11 . 1 1 83 83 THR CB C 612 70.093 70.093 71.105 -1.012 17519
6043 1 11 . 1 1 83 83 THR H H 612 8.736 8.736 8.334 0.402 17519
6044 1 11 . 1 1 84 84 SER N N 613 122.602 122.602 120.555 2.047 17519
6045 1 11 . 1 1 84 84 SER HA H 613 5.489 5.489 5.078 0.411 17519
6046 1 11 . 1 1 84 84 SER C C 613 172.064 172.064 172.816 -0.752 17519
6047 1 11 . 1 1 84 84 SER CA C 613 58.813 58.813 56.872 1.941 17519
6048 1 11 . 1 1 84 84 SER CB C 613 67.694 67.694 65.401 2.293 17519
6049 1 11 . 1 1 84 84 SER H H 613 9.051 9.051 9.196 -0.145 17519
6050 1 11 . 1 1 85 85 THR N N 614 117.759 117.759 120.805 -3.046 17519
6051 1 11 . 1 1 85 85 THR HA H 614 5.256 5.256 5.051 0.205 17519
6052 1 11 . 1 1 85 85 THR C C 614 173.632 173.632 172.627 1.005 17519
6053 1 11 . 1 1 85 85 THR CA C 614 62.724 62.724 61.920 0.804 17519
6054 1 11 . 1 1 85 85 THR CB C 614 70.908 70.908 70.936 -0.028 17519
6055 1 11 . 1 1 85 85 THR H H 614 9.523 9.523 8.801 0.722 17519
6056 1 11 . 1 1 86 86 TYR N N 615 131.519 131.519 129.103 2.416 17519
6057 1 11 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.780 0.433 17519
6058 1 11 . 1 1 86 86 TYR C C 615 172.999 172.999 174.335 -1.336 17519
6059 1 11 . 1 1 86 86 TYR CA C 615 57.163 57.163 57.275 -0.112 17519
6060 1 11 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.568 1.001 17519
6061 1 11 . 1 1 86 86 TYR H H 615 10.029 10.029 9.421 0.608 17519
6062 1 11 . 1 1 87 87 THR N N 616 124.674 124.674 124.898 -0.224 17519
6063 1 11 . 1 1 87 87 THR HA H 616 4.370 4.370 4.691 -0.321 17519
6064 1 11 . 1 1 87 87 THR CA C 616 58.725 58.725 59.389 -0.664 17519
6065 1 11 . 1 1 87 87 THR CB C 616 70.070 70.070 69.378 0.692 17519
6066 1 11 . 1 1 87 87 THR H H 616 8.027 8.027 8.806 -0.779 17519
6067 1 11 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.461 -0.369 17519
6068 1 11 . 1 1 88 88 PRO C C 617 177.011 177.011 176.526 0.485 17519
6069 1 11 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.151 0.736 17519
6070 1 11 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.247 0.077 17519
6071 1 11 . 1 1 89 89 GLY N N 618 108.881 108.881 108.013 0.868 17519
6072 1 11 . 1 1 89 89 GLY C C 618 173.673 173.673 174.297 -0.624 17519
6073 1 11 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.551 -0.555 17519
6074 1 11 . 1 1 89 89 GLY H H 618 8.261 8.261 8.514 -0.253 17519
6075 1 11 . 1 1 90 90 SER N N 619 114.743 114.743 114.384 0.359 17519
6076 1 11 . 1 1 90 90 SER HA H 619 4.537 4.537 4.461 0.076 17519
6077 1 11 . 1 1 90 90 SER C C 619 175.706 175.706 175.173 0.533 17519
6078 1 11 . 1 1 90 90 SER CA C 619 57.617 57.617 59.473 -1.856 17519
6079 1 11 . 1 1 90 90 SER CB C 619 64.294 64.294 64.208 0.086 17519
6080 1 11 . 1 1 90 90 SER H H 619 8.380 8.380 8.408 -0.028 17519
6081 1 11 . 1 1 91 91 ASN N N 620 121.360 121.360 121.740 -0.380 17519
6082 1 11 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.825 -0.413 17519
6083 1 11 . 1 1 91 91 ASN C C 620 175.289 175.289 174.920 0.369 17519
6084 1 11 . 1 1 91 91 ASN CA C 620 54.353 54.353 52.780 1.573 17519
6085 1 11 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.017 -0.284 17519
6086 1 11 . 1 1 91 91 ASN H H 620 9.296 9.296 8.168 1.128 17519
6087 1 11 . 1 1 92 92 GLY N N 621 105.883 105.883 108.017 -2.134 17519
6088 1 11 . 1 1 92 92 GLY C C 621 174.510 174.510 173.437 1.073 17519
6089 1 11 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.826 -0.597 17519
6090 1 11 . 1 1 92 92 GLY H H 621 8.528 8.528 8.005 0.523 17519
6091 1 11 . 1 1 93 93 ALA N N 622 123.803 123.803 121.754 2.049 17519
6092 1 11 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.584 -0.168 17519
6093 1 11 . 1 1 93 93 ALA C C 622 176.820 176.820 176.486 0.334 17519
6094 1 11 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.964 0.887 17519
6095 1 11 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.724 -0.920 17519
6096 1 11 . 1 1 93 93 ALA H H 622 7.486 7.486 7.725 -0.239 17519
6097 1 11 . 1 1 94 94 ALA N N 623 123.284 123.284 127.266 -3.982 17519
6098 1 11 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.245 0.345 17519
6099 1 11 . 1 1 94 94 ALA C C 623 178.770 178.770 176.966 1.804 17519
6100 1 11 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.338 -0.711 17519
6101 1 11 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.546 0.541 17519
6102 1 11 . 1 1 94 94 ALA H H 623 8.397 8.397 8.665 -0.268 17519
6103 1 11 . 1 1 95 95 GLY N N 624 108.970 108.970 110.441 -1.471 17519
6104 1 11 . 1 1 95 95 GLY C C 624 173.156 173.156 173.473 -0.317 17519
6105 1 11 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.970 -0.113 17519
6106 1 11 . 1 1 95 95 GLY H H 624 8.438 8.438 8.276 0.162 17519
6107 1 11 . 1 1 96 96 THR N N 625 108.929 108.929 110.764 -1.835 17519
6108 1 11 . 1 1 96 96 THR HA H 625 4.603 4.603 4.562 0.041 17519
6109 1 11 . 1 1 96 96 THR C C 625 172.765 172.765 172.445 0.320 17519
6110 1 11 . 1 1 96 96 THR CA C 625 60.350 60.350 60.477 -0.127 17519
6111 1 11 . 1 1 96 96 THR CB C 625 72.295 72.295 72.082 0.213 17519
6112 1 11 . 1 1 96 96 THR H H 625 7.833 7.833 7.508 0.325 17519
6113 1 11 . 1 1 97 97 ILE N N 626 123.623 123.623 119.483 4.140 17519
6114 1 11 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.089 -0.272 17519
6115 1 11 . 1 1 97 97 ILE C C 626 175.596 175.596 175.209 0.387 17519
6116 1 11 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.736 1.313 17519
6117 1 11 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.696 1.482 17519
6118 1 11 . 1 1 97 97 ILE H H 626 8.594 8.594 8.278 0.316 17519
6119 1 11 . 1 1 98 98 ARG N N 627 127.431 127.431 128.218 -0.787 17519
6120 1 11 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.742 0.193 17519
6121 1 11 . 1 1 98 98 ARG C C 627 175.183 175.183 175.527 -0.344 17519
6122 1 11 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.666 -0.898 17519
6123 1 11 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.887 0.889 17519
6124 1 11 . 1 1 98 98 ARG H H 627 8.979 8.979 9.034 -0.055 17519
6125 1 11 . 1 1 99 99 THR N N 628 118.452 118.452 119.592 -1.140 17519
6126 1 11 . 1 1 99 99 THR HA H 628 4.410 4.410 4.515 -0.105 17519
6127 1 11 . 1 1 99 99 THR C C 628 174.845 174.845 174.930 -0.085 17519
6128 1 11 . 1 1 99 99 THR CA C 628 63.962 63.962 61.490 2.472 17519
6129 1 11 . 1 1 99 99 THR CB C 628 69.488 69.488 69.012 0.476 17519
6130 1 11 . 1 1 99 99 THR H H 628 8.697 8.697 8.515 0.182 17519
6131 1 11 . 1 1 100 100 GLY N N 629 114.137 114.137 110.945 3.192 17519
6132 1 11 . 1 1 100 100 GLY C C 629 171.903 171.903 172.556 -0.653 17519
6133 1 11 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.262 -0.515 17519
6134 1 11 . 1 1 100 100 GLY H H 629 8.626 8.626 8.308 0.318 17519
6135 1 11 . 1 1 101 101 ALA N N 630 120.627 120.627 124.575 -3.948 17519
6136 1 11 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.231 -0.539 17519
6137 1 11 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.847 -1.419 17519
6138 1 11 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.393 -0.322 17519
6139 1 11 . 1 1 101 101 ALA H H 630 7.980 7.980 8.194 -0.214 17519
6140 1 11 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.398 -0.273 17519
6141 1 11 . 1 1 102 102 PRO C C 631 175.721 175.721 175.800 -0.079 17519
6142 1 11 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.436 0.504 17519
6143 1 11 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.526 -0.781 17519
6144 1 11 . 1 1 103 103 SER N N 632 113.689 113.689 118.090 -4.401 17519
6145 1 11 . 1 1 103 103 SER HA H 632 4.295 4.295 4.449 -0.154 17519
6146 1 11 . 1 1 103 103 SER C C 632 173.816 173.816 174.399 -0.583 17519
6147 1 11 . 1 1 103 103 SER CA C 632 57.689 57.689 58.575 -0.886 17519
6148 1 11 . 1 1 103 103 SER CB C 632 64.133 64.133 62.772 1.361 17519
6149 1 11 . 1 1 103 103 SER H H 632 7.969 7.969 8.276 -0.307 17519
6150 1 12 . 1 1 2 2 GLY C C 531 174.309 174.309 173.810 0.499 17519
6151 1 12 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.539 0.637 17519
6152 1 12 . 1 1 3 3 THR N N 532 113.802 113.802 117.520 -3.718 17519
6153 1 12 . 1 1 3 3 THR HA H 532 4.429 4.429 4.111 0.318 17519
6154 1 12 . 1 1 3 3 THR C C 532 174.430 174.430 174.208 0.222 17519
6155 1 12 . 1 1 3 3 THR CA C 532 61.577 61.577 63.318 -1.741 17519
6156 1 12 . 1 1 3 3 THR CB C 532 69.849 69.849 69.499 0.350 17519
6157 1 12 . 1 1 3 3 THR H H 532 8.140 8.140 8.248 -0.108 17519
6158 1 12 . 1 1 4 4 THR N N 533 115.407 115.407 116.666 -1.259 17519
6159 1 12 . 1 1 4 4 THR HA H 533 4.350 4.350 4.503 -0.153 17519
6160 1 12 . 1 1 4 4 THR C C 533 173.831 173.831 173.387 0.444 17519
6161 1 12 . 1 1 4 4 THR CA C 533 60.266 60.266 60.503 -0.237 17519
6162 1 12 . 1 1 4 4 THR CB C 533 69.788 69.788 71.221 -1.433 17519
6163 1 12 . 1 1 4 4 THR H H 533 8.019 8.019 7.938 0.081 17519
6164 1 12 . 1 1 5 5 ASN N N 534 121.822 121.822 117.855 3.967 17519
6165 1 12 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.997 -0.161 17519
6166 1 12 . 1 1 5 5 ASN C C 534 174.057 174.057 174.012 0.045 17519
6167 1 12 . 1 1 5 5 ASN CA C 534 52.686 52.686 51.986 0.700 17519
6168 1 12 . 1 1 5 5 ASN CB C 534 39.156 39.156 41.118 -1.962 17519
6169 1 12 . 1 1 5 5 ASN H H 534 8.863 8.863 8.775 0.088 17519
6170 1 12 . 1 1 6 6 LYS N N 535 119.369 119.369 118.030 1.339 17519
6171 1 12 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.088 0.097 17519
6172 1 12 . 1 1 6 6 LYS C C 535 175.924 175.924 174.923 1.001 17519
6173 1 12 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.263 -0.732 17519
6174 1 12 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.412 -0.396 17519
6175 1 12 . 1 1 6 6 LYS H H 535 8.347 8.347 8.208 0.139 17519
6176 1 12 . 1 1 7 7 VAL N N 536 123.112 123.112 121.249 1.863 17519
6177 1 12 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.390 0.183 17519
6178 1 12 . 1 1 7 7 VAL C C 536 174.602 174.602 175.290 -0.688 17519
6179 1 12 . 1 1 7 7 VAL CA C 536 61.145 61.145 61.650 -0.505 17519
6180 1 12 . 1 1 7 7 VAL CB C 536 34.773 34.773 33.020 1.753 17519
6181 1 12 . 1 1 7 7 VAL H H 536 8.828 8.828 9.098 -0.270 17519
6182 1 12 . 1 1 8 8 THR N N 537 125.255 125.255 124.882 0.373 17519
6183 1 12 . 1 1 8 8 THR HA H 537 5.396 5.396 5.245 0.151 17519
6184 1 12 . 1 1 8 8 THR C C 537 173.129 173.129 172.910 0.219 17519
6185 1 12 . 1 1 8 8 THR CA C 537 61.611 61.611 62.364 -0.753 17519
6186 1 12 . 1 1 8 8 THR CB C 537 70.113 70.113 70.230 -0.117 17519
6187 1 12 . 1 1 8 8 THR H H 537 8.914 8.914 8.303 0.611 17519
6188 1 12 . 1 1 9 9 VAL N N 538 126.696 126.696 126.919 -0.223 17519
6189 1 12 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.997 -0.463 17519
6190 1 12 . 1 1 9 9 VAL C C 538 175.565 175.565 173.432 2.133 17519
6191 1 12 . 1 1 9 9 VAL CA C 538 60.879 60.879 59.419 1.460 17519
6192 1 12 . 1 1 9 9 VAL CB C 538 35.179 35.179 35.502 -0.323 17519
6193 1 12 . 1 1 9 9 VAL H H 538 8.585 8.585 8.782 -0.197 17519
6194 1 12 . 1 1 10 10 TYR N N 539 124.488 124.488 127.784 -3.296 17519
6195 1 12 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.451 -0.193 17519
6196 1 12 . 1 1 10 10 TYR C C 539 174.309 174.309 175.106 -0.797 17519
6197 1 12 . 1 1 10 10 TYR CA C 539 57.266 57.266 55.746 1.520 17519
6198 1 12 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.308 0.102 17519
6199 1 12 . 1 1 10 10 TYR H H 539 9.111 9.111 9.310 -0.199 17519
6200 1 12 . 1 1 11 11 TYR N N 540 125.848 125.848 125.900 -0.052 17519
6201 1 12 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.701 -0.675 17519
6202 1 12 . 1 1 11 11 TYR C C 540 173.346 173.346 173.812 -0.466 17519
6203 1 12 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.845 1.757 17519
6204 1 12 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.669 0.289 17519
6205 1 12 . 1 1 11 11 TYR H H 540 9.580 9.580 9.479 0.101 17519
6206 1 12 . 1 1 12 12 LYS N N 541 131.489 131.489 127.425 4.064 17519
6207 1 12 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.347 0.105 17519
6208 1 12 . 1 1 12 12 LYS C C 541 172.904 172.904 174.519 -1.615 17519
6209 1 12 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.480 1.235 17519
6210 1 12 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.971 0.126 17519
6211 1 12 . 1 1 12 12 LYS H H 541 8.406 8.406 7.920 0.486 17519
6212 1 12 . 1 1 13 13 LYS N N 542 125.132 125.132 126.905 -1.773 17519
6213 1 12 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.660 0.278 17519
6214 1 12 . 1 1 13 13 LYS C C 542 180.078 180.078 176.247 3.831 17519
6215 1 12 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.418 -3.982 17519
6216 1 12 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.695 -1.090 17519
6217 1 12 . 1 1 13 13 LYS H H 542 7.515 7.515 7.436 0.079 17519
6218 1 12 . 1 1 14 14 GLY N N 543 112.724 112.724 113.064 -0.340 17519
6219 1 12 . 1 1 14 14 GLY C C 543 174.151 174.151 172.838 1.313 17519
6220 1 12 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.436 1.854 17519
6221 1 12 . 1 1 14 14 GLY H H 543 7.629 7.629 8.076 -0.447 17519
6222 1 12 . 1 1 15 15 PHE N N 544 121.583 121.583 119.443 2.140 17519
6223 1 12 . 1 1 15 15 PHE HA H 544 4.722 4.722 5.029 -0.307 17519
6224 1 12 . 1 1 15 15 PHE C C 544 175.876 175.876 175.960 -0.084 17519
6225 1 12 . 1 1 15 15 PHE CA C 544 57.110 57.110 57.968 -0.858 17519
6226 1 12 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.384 -1.993 17519
6227 1 12 . 1 1 15 15 PHE H H 544 8.557 8.557 8.416 0.141 17519
6228 1 12 . 1 1 16 16 ASN N N 545 117.559 117.559 116.655 0.904 17519
6229 1 12 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.889 -0.425 17519
6230 1 12 . 1 1 16 16 ASN C C 545 176.289 176.289 174.672 1.617 17519
6231 1 12 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.758 2.662 17519
6232 1 12 . 1 1 16 16 ASN CB C 545 39.263 39.263 40.280 -1.017 17519
6233 1 12 . 1 1 16 16 ASN H H 545 8.561 8.561 8.423 0.138 17519
6234 1 12 . 1 1 17 17 SER N N 546 112.901 112.901 115.898 -2.997 17519
6235 1 12 . 1 1 17 17 SER HA H 546 4.862 4.862 4.917 -0.055 17519
6236 1 12 . 1 1 17 17 SER CA C 546 53.586 53.586 56.321 -2.735 17519
6237 1 12 . 1 1 17 17 SER CB C 546 63.708 63.708 64.111 -0.403 17519
6238 1 12 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.311 0.282 17519
6239 1 12 . 1 1 18 18 PRO C C 547 175.806 175.806 175.029 0.777 17519
6240 1 12 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.381 0.140 17519
6241 1 12 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.468 0.195 17519
6242 1 12 . 1 1 19 19 TYR N N 548 122.230 122.230 119.671 2.559 17519
6243 1 12 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.447 0.430 17519
6244 1 12 . 1 1 19 19 TYR C C 548 174.660 174.660 173.827 0.833 17519
6245 1 12 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.249 -0.589 17519
6246 1 12 . 1 1 19 19 TYR CB C 548 40.462 40.462 43.309 -2.847 17519
6247 1 12 . 1 1 19 19 TYR H H 548 9.141 9.141 8.487 0.654 17519
6248 1 12 . 1 1 20 20 ILE N N 549 118.425 118.425 119.455 -1.030 17519
6249 1 12 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.503 0.569 17519
6250 1 12 . 1 1 20 20 ILE C C 549 171.422 171.422 173.079 -1.657 17519
6251 1 12 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.658 -0.229 17519
6252 1 12 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.581 0.175 17519
6253 1 12 . 1 1 21 21 HIS N N 550 133.248 133.248 126.841 6.407 17519
6254 1 12 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.716 0.647 17519
6255 1 12 . 1 1 21 21 HIS C C 550 174.988 174.988 173.302 1.686 17519
6256 1 12 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.169 -0.254 17519
6257 1 12 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.799 1.975 17519
6258 1 12 . 1 1 21 21 HIS H H 550 8.956 8.956 8.259 0.697 17519
6259 1 12 . 1 1 22 22 TYR N N 551 121.831 121.831 122.714 -0.883 17519
6260 1 12 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.496 0.687 17519
6261 1 12 . 1 1 22 22 TYR C C 551 173.934 173.934 173.394 0.540 17519
6262 1 12 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.856 1.812 17519
6263 1 12 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.448 1.270 17519
6264 1 12 . 1 1 22 22 TYR H H 551 8.204 8.204 8.241 -0.037 17519
6265 1 12 . 1 1 23 23 ARG N N 552 115.619 115.619 118.318 -2.699 17519
6266 1 12 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.703 0.059 17519
6267 1 12 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.743 -0.263 17519
6268 1 12 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.309 -1.271 17519
6269 1 12 . 1 1 23 23 ARG H H 552 8.674 8.674 8.970 -0.296 17519
6270 1 12 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.525 0.031 17519
6271 1 12 . 1 1 24 24 PRO C C 553 176.736 176.736 176.908 -0.172 17519
6272 1 12 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.258 0.094 17519
6273 1 12 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.791 -0.912 17519
6274 1 12 . 1 1 25 25 ALA N N 554 125.908 125.908 124.910 0.998 17519
6275 1 12 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.862 0.160 17519
6276 1 12 . 1 1 25 25 ALA C C 554 179.217 179.217 177.382 1.835 17519
6277 1 12 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.874 -0.790 17519
6278 1 12 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.775 -0.543 17519
6279 1 12 . 1 1 25 25 ALA H H 554 8.293 8.293 8.289 0.004 17519
6280 1 12 . 1 1 26 26 GLY N N 555 111.766 111.766 104.757 7.009 17519
6281 1 12 . 1 1 26 26 GLY C C 555 174.796 174.796 173.629 1.167 17519
6282 1 12 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.765 0.876 17519
6283 1 12 . 1 1 26 26 GLY H H 555 8.602 8.602 8.002 0.600 17519
6284 1 12 . 1 1 27 27 GLY N N 556 109.512 109.512 111.542 -2.030 17519
6285 1 12 . 1 1 27 27 GLY C C 556 173.368 173.368 173.195 0.173 17519
6286 1 12 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.716 -1.510 17519
6287 1 12 . 1 1 27 27 GLY H H 556 8.494 8.494 8.107 0.387 17519
6288 1 12 . 1 1 28 28 SER N N 557 117.962 117.962 114.211 3.751 17519
6289 1 12 . 1 1 28 28 SER HA H 557 4.690 4.690 4.534 0.156 17519
6290 1 12 . 1 1 28 28 SER C C 557 173.656 173.656 172.505 1.151 17519
6291 1 12 . 1 1 28 28 SER CA C 557 57.492 57.492 57.384 0.108 17519
6292 1 12 . 1 1 28 28 SER CB C 557 64.803 64.803 64.518 0.285 17519
6293 1 12 . 1 1 28 28 SER H H 557 8.681 8.681 7.659 1.022 17519
6294 1 12 . 1 1 29 29 TRP N N 558 123.928 123.928 122.087 1.841 17519
6295 1 12 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.754 -0.302 17519
6296 1 12 . 1 1 29 29 TRP C C 558 178.891 178.891 177.085 1.806 17519
6297 1 12 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.733 1.341 17519
6298 1 12 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.665 0.041 17519
6299 1 12 . 1 1 29 29 TRP H H 558 8.392 8.392 8.529 -0.137 17519
6300 1 12 . 1 1 30 30 THR N N 559 111.067 111.067 119.427 -8.360 17519
6301 1 12 . 1 1 30 30 THR HA H 559 4.037 4.037 4.376 -0.339 17519
6302 1 12 . 1 1 30 30 THR C C 559 174.782 174.782 174.459 0.323 17519
6303 1 12 . 1 1 30 30 THR CA C 559 61.321 61.321 63.578 -2.257 17519
6304 1 12 . 1 1 30 30 THR CB C 559 70.561 70.561 70.068 0.493 17519
6305 1 12 . 1 1 30 30 THR H H 559 7.953 7.953 8.527 -0.574 17519
6306 1 12 . 1 1 31 31 ALA N N 560 123.046 123.046 123.880 -0.834 17519
6307 1 12 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.193 0.258 17519
6308 1 12 . 1 1 31 31 ALA C C 560 178.493 178.493 176.529 1.964 17519
6309 1 12 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.334 -0.420 17519
6310 1 12 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.646 -0.647 17519
6311 1 12 . 1 1 31 31 ALA H H 560 8.437 8.437 8.486 -0.049 17519
6312 1 12 . 1 1 32 32 ALA N N 561 129.644 129.644 127.785 1.859 17519
6313 1 12 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.990 -0.049 17519
6314 1 12 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.876 1.881 17519
6315 1 12 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.416 -2.266 17519
6316 1 12 . 1 1 32 32 ALA H H 561 8.828 8.828 8.193 0.635 17519
6317 1 12 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.416 -0.518 17519
6318 1 12 . 1 1 33 33 PRO C C 562 173.280 173.280 176.852 -3.572 17519
6319 1 12 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.086 1.353 17519
6320 1 12 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.435 0.076 17519
6321 1 12 . 1 1 34 34 GLY N N 563 112.224 112.224 109.930 2.294 17519
6322 1 12 . 1 1 34 34 GLY C C 563 173.977 173.977 174.315 -0.338 17519
6323 1 12 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.947 -1.998 17519
6324 1 12 . 1 1 34 34 GLY H H 563 8.763 8.763 7.752 1.011 17519
6325 1 12 . 1 1 35 35 VAL N N 564 123.427 123.427 117.629 5.798 17519
6326 1 12 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.428 -0.027 17519
6327 1 12 . 1 1 35 35 VAL C C 564 174.734 174.734 174.173 0.561 17519
6328 1 12 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.158 0.730 17519
6329 1 12 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.712 -0.811 17519
6330 1 12 . 1 1 36 36 LYS N N 565 128.212 128.212 124.279 3.933 17519
6331 1 12 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.741 -0.632 17519
6332 1 12 . 1 1 36 36 LYS C C 565 176.437 176.437 176.178 0.259 17519
6333 1 12 . 1 1 36 36 LYS CA C 565 57.187 57.187 54.968 2.219 17519
6334 1 12 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.209 1.205 17519
6335 1 12 . 1 1 36 36 LYS H H 565 8.486 8.486 8.307 0.179 17519
6336 1 12 . 1 1 37 37 MET N N 566 124.964 124.964 123.338 1.626 17519
6337 1 12 . 1 1 37 37 MET HA H 566 4.228 4.228 4.065 0.163 17519
6338 1 12 . 1 1 37 37 MET C C 566 175.652 175.652 175.757 -0.105 17519
6339 1 12 . 1 1 37 37 MET CA C 566 56.485 56.485 57.172 -0.687 17519
6340 1 12 . 1 1 37 37 MET CB C 566 35.011 35.011 32.365 2.646 17519
6341 1 12 . 1 1 37 37 MET H H 566 8.202 8.202 8.366 -0.164 17519
6342 1 12 . 1 1 38 38 GLN N N 567 121.561 121.561 124.392 -2.831 17519
6343 1 12 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.431 0.006 17519
6344 1 12 . 1 1 38 38 GLN C C 567 175.809 175.809 175.446 0.363 17519
6345 1 12 . 1 1 38 38 GLN CA C 567 54.822 54.822 55.134 -0.312 17519
6346 1 12 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.945 -0.763 17519
6347 1 12 . 1 1 38 38 GLN H H 567 8.489 8.489 8.267 0.222 17519
6348 1 12 . 1 1 39 39 ASP N N 568 121.881 121.881 127.008 -5.127 17519
6349 1 12 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.586 0.197 17519
6350 1 12 . 1 1 39 39 ASP C C 568 176.715 176.715 176.035 0.680 17519
6351 1 12 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.551 -0.384 17519
6352 1 12 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.694 -1.456 17519
6353 1 12 . 1 1 39 39 ASP H H 568 8.780 8.780 8.718 0.062 17519
6354 1 12 . 1 1 40 40 ALA N N 569 122.696 122.696 126.821 -4.125 17519
6355 1 12 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.228 0.124 17519
6356 1 12 . 1 1 40 40 ALA C C 569 175.165 175.165 176.989 -1.824 17519
6357 1 12 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.560 -1.067 17519
6358 1 12 . 1 1 40 40 ALA CB C 569 21.735 21.735 19.738 1.997 17519
6359 1 12 . 1 1 40 40 ALA H H 569 8.463 8.463 8.048 0.415 17519
6360 1 12 . 1 1 41 41 GLU N N 570 120.083 120.083 119.328 0.755 17519
6361 1 12 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.462 -0.111 17519
6362 1 12 . 1 1 41 41 GLU C C 570 174.683 174.683 176.452 -1.769 17519
6363 1 12 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.544 0.981 17519
6364 1 12 . 1 1 41 41 GLU CB C 570 27.231 27.231 29.350 -2.119 17519
6365 1 12 . 1 1 41 41 GLU H H 570 10.398 10.398 8.699 1.699 17519
6366 1 12 . 1 1 42 42 ILE N N 571 119.363 119.363 120.383 -1.020 17519
6367 1 12 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.303 0.076 17519
6368 1 12 . 1 1 42 42 ILE C C 571 174.913 174.913 176.432 -1.519 17519
6369 1 12 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.472 -2.652 17519
6370 1 12 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.785 0.801 17519
6371 1 12 . 1 1 42 42 ILE H H 571 6.526 6.526 7.730 -1.204 17519
6372 1 12 . 1 1 43 43 SER N N 572 121.258 121.258 115.892 5.366 17519
6373 1 12 . 1 1 43 43 SER HA H 572 4.352 4.352 4.427 -0.075 17519
6374 1 12 . 1 1 43 43 SER C C 572 175.617 175.617 173.824 1.793 17519
6375 1 12 . 1 1 43 43 SER CA C 572 60.125 60.125 58.421 1.704 17519
6376 1 12 . 1 1 43 43 SER CB C 572 63.063 63.063 63.339 -0.276 17519
6377 1 12 . 1 1 43 43 SER H H 572 8.618 8.618 7.982 0.636 17519
6378 1 12 . 1 1 44 44 GLY N N 573 111.836 111.836 111.502 0.334 17519
6379 1 12 . 1 1 44 44 GLY C C 573 173.828 173.828 173.118 0.710 17519
6380 1 12 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.304 -0.449 17519
6381 1 12 . 1 1 44 44 GLY H H 573 8.691 8.691 8.768 -0.077 17519
6382 1 12 . 1 1 45 45 TYR N N 574 116.297 116.297 120.590 -4.293 17519
6383 1 12 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.683 1.078 17519
6384 1 12 . 1 1 45 45 TYR C C 574 175.520 175.520 174.305 1.215 17519
6385 1 12 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.509 -0.990 17519
6386 1 12 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.991 0.926 17519
6387 1 12 . 1 1 45 45 TYR H H 574 7.854 7.854 7.554 0.300 17519
6388 1 12 . 1 1 46 46 ALA N N 575 126.117 126.117 122.962 3.155 17519
6389 1 12 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.770 0.637 17519
6390 1 12 . 1 1 46 46 ALA C C 575 176.096 176.096 175.135 0.961 17519
6391 1 12 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.444 -0.071 17519
6392 1 12 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.883 2.483 17519
6393 1 12 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.549 0.161 17519
6394 1 12 . 1 1 47 47 LYS C C 576 173.794 173.794 174.621 -0.827 17519
6395 1 12 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.532 -0.142 17519
6396 1 12 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.679 0.262 17519
6397 1 12 . 1 1 48 48 ILE N N 577 120.000 120.000 122.455 -2.455 17519
6398 1 12 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.711 -0.266 17519
6399 1 12 . 1 1 48 48 ILE C C 577 171.242 171.242 173.518 -2.276 17519
6400 1 12 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.362 1.018 17519
6401 1 12 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.039 0.277 17519
6402 1 12 . 1 1 48 48 ILE H H 577 8.041 8.041 8.702 -0.661 17519
6403 1 12 . 1 1 49 49 THR N N 578 122.357 122.357 122.358 -0.001 17519
6404 1 12 . 1 1 49 49 THR HA H 578 5.344 5.344 5.431 -0.087 17519
6405 1 12 . 1 1 49 49 THR C C 578 173.601 173.601 173.506 0.095 17519
6406 1 12 . 1 1 49 49 THR CA C 578 61.849 61.849 60.715 1.133 17519
6407 1 12 . 1 1 49 49 THR CB C 578 70.593 70.593 70.888 -0.295 17519
6408 1 12 . 1 1 49 49 THR H H 578 8.043 8.043 8.221 -0.178 17519
6409 1 12 . 1 1 50 50 VAL N N 579 126.489 126.489 124.392 2.097 17519
6410 1 12 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.255 -0.115 17519
6411 1 12 . 1 1 50 50 VAL C C 579 174.015 174.015 173.823 0.192 17519
6412 1 12 . 1 1 50 50 VAL CA C 579 60.252 60.252 59.608 0.644 17519
6413 1 12 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.021 0.132 17519
6414 1 12 . 1 1 50 50 VAL H H 579 9.349 9.349 8.560 0.789 17519
6415 1 12 . 1 1 51 51 ASP N N 580 126.891 126.891 128.756 -1.865 17519
6416 1 12 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.021 -0.154 17519
6417 1 12 . 1 1 51 51 ASP C C 580 176.752 176.752 175.923 0.829 17519
6418 1 12 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.607 -0.081 17519
6419 1 12 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.732 0.084 17519
6420 1 12 . 1 1 51 51 ASP H H 580 8.616 8.616 8.576 0.040 17519
6421 1 12 . 1 1 52 52 ILE N N 581 118.893 118.893 121.468 -2.575 17519
6422 1 12 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.615 -0.027 17519
6423 1 12 . 1 1 52 52 ILE C C 581 176.717 176.717 175.001 1.716 17519
6424 1 12 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.436 0.665 17519
6425 1 12 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.200 -0.145 17519
6426 1 12 . 1 1 52 52 ILE H H 581 8.627 8.627 8.114 0.513 17519
6427 1 12 . 1 1 53 53 GLY N N 582 114.728 114.728 112.227 2.501 17519
6428 1 12 . 1 1 53 53 GLY C C 582 174.442 174.442 175.058 -0.616 17519
6429 1 12 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.320 0.285 17519
6430 1 12 . 1 1 53 53 GLY H H 582 9.075 9.075 9.056 0.019 17519
6431 1 12 . 1 1 54 54 SER N N 583 120.404 120.404 116.667 3.737 17519
6432 1 12 . 1 1 54 54 SER HA H 583 4.549 4.549 4.329 0.220 17519
6433 1 12 . 1 1 54 54 SER C C 583 175.149 175.149 174.340 0.809 17519
6434 1 12 . 1 1 54 54 SER CA C 583 58.133 58.133 59.115 -0.982 17519
6435 1 12 . 1 1 54 54 SER CB C 583 63.647 63.647 62.787 0.860 17519
6436 1 12 . 1 1 54 54 SER H H 583 8.812 8.812 8.290 0.522 17519
6437 1 12 . 1 1 55 55 ALA N N 584 125.527 125.527 123.799 1.728 17519
6438 1 12 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.262 0.155 17519
6439 1 12 . 1 1 55 55 ALA C C 584 175.867 175.867 176.796 -0.929 17519
6440 1 12 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.724 -0.357 17519
6441 1 12 . 1 1 55 55 ALA CB C 584 20.064 20.064 19.448 0.616 17519
6442 1 12 . 1 1 55 55 ALA H H 584 7.820 7.820 8.034 -0.214 17519
6443 1 12 . 1 1 56 56 SER N N 585 109.786 109.786 115.703 -5.917 17519
6444 1 12 . 1 1 56 56 SER HA H 585 4.564 4.564 4.546 0.018 17519
6445 1 12 . 1 1 56 56 SER C C 585 173.978 173.978 173.662 0.316 17519
6446 1 12 . 1 1 56 56 SER CA C 585 58.220 58.220 59.316 -1.096 17519
6447 1 12 . 1 1 56 56 SER CB C 585 64.962 64.962 64.144 0.818 17519
6448 1 12 . 1 1 56 56 SER H H 585 8.785 8.785 8.559 0.226 17519
6449 1 12 . 1 1 57 57 GLN N N 586 116.690 116.690 119.371 -2.681 17519
6450 1 12 . 1 1 57 57 GLN HA H 586 5.148 5.148 5.012 0.136 17519
6451 1 12 . 1 1 57 57 GLN C C 586 172.923 172.923 173.492 -0.569 17519
6452 1 12 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.191 -1.195 17519
6453 1 12 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.761 1.779 17519
6454 1 12 . 1 1 57 57 GLN H H 586 7.144 7.144 7.753 -0.609 17519
6455 1 12 . 1 1 58 58 LEU N N 587 123.011 123.011 123.788 -0.777 17519
6456 1 12 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.056 -0.388 17519
6457 1 12 . 1 1 58 58 LEU C C 587 173.426 173.426 174.426 -1.000 17519
6458 1 12 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.882 -0.504 17519
6459 1 12 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.657 1.001 17519
6460 1 12 . 1 1 58 58 LEU H H 587 9.226 9.226 9.025 0.201 17519
6461 1 12 . 1 1 59 59 GLU N N 588 129.185 129.185 124.629 4.556 17519
6462 1 12 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.536 -0.227 17519
6463 1 12 . 1 1 59 59 GLU C C 588 175.409 175.409 175.089 0.320 17519
6464 1 12 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.161 0.489 17519
6465 1 12 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.278 -0.230 17519
6466 1 12 . 1 1 59 59 GLU H H 588 8.830 8.830 8.917 -0.087 17519
6467 1 12 . 1 1 60 60 ALA N N 589 126.011 126.011 125.485 0.526 17519
6468 1 12 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.384 0.519 17519
6469 1 12 . 1 1 60 60 ALA C C 589 174.861 174.861 175.904 -1.043 17519
6470 1 12 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.158 -0.011 17519
6471 1 12 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.218 1.639 17519
6472 1 12 . 1 1 60 60 ALA H H 589 9.748 9.748 8.490 1.258 17519
6473 1 12 . 1 1 61 61 ALA N N 590 120.783 120.783 124.090 -3.307 17519
6474 1 12 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.023 -0.206 17519
6475 1 12 . 1 1 61 61 ALA C C 590 174.731 174.731 175.463 -0.732 17519
6476 1 12 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.649 0.479 17519
6477 1 12 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.569 0.531 17519
6478 1 12 . 1 1 61 61 ALA H H 590 9.392 9.392 9.038 0.354 17519
6479 1 12 . 1 1 62 62 PHE N N 591 116.572 116.572 119.171 -2.599 17519
6480 1 12 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.789 1.218 17519
6481 1 12 . 1 1 62 62 PHE C C 591 175.059 175.059 174.096 0.963 17519
6482 1 12 . 1 1 62 62 PHE CA C 591 56.456 56.456 57.169 -0.712 17519
6483 1 12 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.855 0.468 17519
6484 1 12 . 1 1 62 62 PHE H H 591 8.394 8.394 8.534 -0.140 17519
6485 1 12 . 1 1 63 63 ASN N N 592 116.166 116.166 121.430 -5.264 17519
6486 1 12 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.123 0.041 17519
6487 1 12 . 1 1 63 63 ASN C C 592 172.073 172.073 174.479 -2.406 17519
6488 1 12 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.791 1.936 17519
6489 1 12 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.696 0.536 17519
6490 1 12 . 1 1 63 63 ASN H H 592 9.117 9.117 8.551 0.566 17519
6491 1 12 . 1 1 64 64 ASP N N 593 118.039 118.039 122.582 -4.543 17519
6492 1 12 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.178 0.041 17519
6493 1 12 . 1 1 64 64 ASP C C 593 177.248 177.248 177.292 -0.044 17519
6494 1 12 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.651 -3.400 17519
6495 1 12 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.469 0.253 17519
6496 1 12 . 1 1 64 64 ASP H H 593 7.558 7.558 8.464 -0.906 17519
6497 1 12 . 1 1 65 65 GLY N N 594 110.622 110.622 106.648 3.974 17519
6498 1 12 . 1 1 65 65 GLY C C 594 173.126 173.126 174.058 -0.932 17519
6499 1 12 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.736 -0.207 17519
6500 1 12 . 1 1 65 65 GLY H H 594 8.742 8.742 7.661 1.081 17519
6501 1 12 . 1 1 66 66 ASN N N 595 120.863 120.863 118.743 2.120 17519
6502 1 12 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.926 -0.169 17519
6503 1 12 . 1 1 66 66 ASN C C 595 174.434 174.434 174.258 0.176 17519
6504 1 12 . 1 1 66 66 ASN CA C 595 52.167 52.167 52.018 0.149 17519
6505 1 12 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.618 0.770 17519
6506 1 12 . 1 1 66 66 ASN H H 595 8.424 8.424 8.107 0.317 17519
6507 1 12 . 1 1 67 67 ASN N N 596 113.308 113.308 117.221 -3.913 17519
6508 1 12 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.554 -0.324 17519
6509 1 12 . 1 1 67 67 ASN C C 596 173.796 173.796 173.899 -0.103 17519
6510 1 12 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.263 0.162 17519
6511 1 12 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.439 0.714 17519
6512 1 12 . 1 1 67 67 ASN H H 596 8.744 8.744 8.805 -0.061 17519
6513 1 12 . 1 1 68 68 ASN N N 597 118.418 118.418 117.941 0.477 17519
6514 1 12 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.950 0.168 17519
6515 1 12 . 1 1 68 68 ASN C C 597 173.474 173.474 173.399 0.075 17519
6516 1 12 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.608 0.530 17519
6517 1 12 . 1 1 68 68 ASN CB C 597 38.622 38.622 39.448 -0.826 17519
6518 1 12 . 1 1 68 68 ASN H H 597 8.032 8.032 8.183 -0.151 17519
6519 1 12 . 1 1 69 69 TRP N N 598 120.990 120.990 122.351 -1.361 17519
6520 1 12 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.070 -0.214 17519
6521 1 12 . 1 1 69 69 TRP C C 598 176.220 176.220 176.148 0.072 17519
6522 1 12 . 1 1 69 69 TRP CA C 598 57.233 57.233 55.972 1.261 17519
6523 1 12 . 1 1 69 69 TRP CB C 598 32.219 32.219 31.730 0.489 17519
6524 1 12 . 1 1 69 69 TRP H H 598 8.842 8.842 8.664 0.178 17519
6525 1 12 . 1 1 70 70 ASP N N 599 122.210 122.210 124.692 -2.482 17519
6526 1 12 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.091 0.156 17519
6527 1 12 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.141 -0.895 17519
6528 1 12 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.176 0.722 17519
6529 1 12 . 1 1 70 70 ASP H H 599 9.831 9.831 8.747 1.084 17519
6530 1 12 . 1 1 71 71 SER N N 600 117.252 117.252 115.605 1.647 17519
6531 1 12 . 1 1 71 71 SER HA H 600 5.141 5.141 4.515 0.626 17519
6532 1 12 . 1 1 71 71 SER CA C 600 55.907 55.907 59.273 -3.366 17519
6533 1 12 . 1 1 71 71 SER H H 600 9.328 9.328 8.410 0.918 17519
6534 1 12 . 1 1 72 72 ASN N N 601 123.197 123.197 119.059 4.138 17519
6535 1 12 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.746 -0.317 17519
6536 1 12 . 1 1 72 72 ASN C C 601 176.895 176.895 174.668 2.227 17519
6537 1 12 . 1 1 72 72 ASN CA C 601 53.093 53.093 52.861 0.232 17519
6538 1 12 . 1 1 72 72 ASN CB C 601 39.150 39.150 37.458 1.692 17519
6539 1 12 . 1 1 72 72 ASN H H 601 8.715 8.715 8.423 0.292 17519
6540 1 12 . 1 1 73 73 ASN N N 602 116.099 116.099 119.443 -3.344 17519
6541 1 12 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.888 -0.444 17519
6542 1 12 . 1 1 73 73 ASN C C 602 176.304 176.304 174.873 1.431 17519
6543 1 12 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.207 0.258 17519
6544 1 12 . 1 1 73 73 ASN CB C 602 37.277 37.277 40.710 -3.433 17519
6545 1 12 . 1 1 73 73 ASN H H 602 9.184 9.184 8.076 1.107 17519
6546 1 12 . 1 1 74 74 THR N N 603 110.445 110.445 113.627 -3.182 17519
6547 1 12 . 1 1 74 74 THR HA H 603 3.835 3.835 4.354 -0.519 17519
6548 1 12 . 1 1 74 74 THR C C 603 173.186 173.186 172.772 0.414 17519
6549 1 12 . 1 1 74 74 THR CA C 603 65.006 65.006 62.728 2.278 17519
6550 1 12 . 1 1 74 74 THR CB C 603 69.653 69.653 68.767 0.886 17519
6551 1 12 . 1 1 74 74 THR H H 603 7.829 7.829 7.804 0.025 17519
6552 1 12 . 1 1 75 75 LYS N N 604 121.909 121.909 119.898 2.011 17519
6553 1 12 . 1 1 75 75 LYS HA H 604 4.137 4.137 3.956 0.181 17519
6554 1 12 . 1 1 75 75 LYS C C 604 177.262 177.262 175.785 1.477 17519
6555 1 12 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.787 0.980 17519
6556 1 12 . 1 1 75 75 LYS CB C 604 32.376 32.376 30.962 1.414 17519
6557 1 12 . 1 1 75 75 LYS H H 604 7.714 7.714 8.431 -0.718 17519
6558 1 12 . 1 1 76 76 ASN N N 605 108.823 108.823 112.161 -3.338 17519
6559 1 12 . 1 1 76 76 ASN HA H 605 3.940 3.940 3.806 0.134 17519
6560 1 12 . 1 1 76 76 ASN C C 605 171.742 171.742 174.269 -2.527 17519
6561 1 12 . 1 1 76 76 ASN CA C 605 54.159 54.159 55.060 -0.901 17519
6562 1 12 . 1 1 76 76 ASN CB C 605 39.027 39.027 37.706 1.321 17519
6563 1 12 . 1 1 76 76 ASN H H 605 8.274 8.274 7.858 0.416 17519
6564 1 12 . 1 1 77 77 TYR N N 606 117.628 117.628 116.971 0.657 17519
6565 1 12 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.665 0.163 17519
6566 1 12 . 1 1 77 77 TYR C C 606 174.468 174.468 174.642 -0.174 17519
6567 1 12 . 1 1 77 77 TYR CA C 606 57.569 57.569 56.725 0.844 17519
6568 1 12 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.695 0.860 17519
6569 1 12 . 1 1 77 77 TYR H H 606 9.055 9.055 7.922 1.133 17519
6570 1 12 . 1 1 78 78 LEU N N 607 121.811 121.811 122.106 -0.295 17519
6571 1 12 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.414 0.889 17519
6572 1 12 . 1 1 78 78 LEU C C 607 175.673 175.673 176.092 -0.419 17519
6573 1 12 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.173 -0.930 17519
6574 1 12 . 1 1 78 78 LEU CB C 607 43.971 43.971 43.297 0.674 17519
6575 1 12 . 1 1 78 78 LEU H H 607 7.983 7.983 8.389 -0.406 17519
6576 1 12 . 1 1 79 79 PHE N N 608 121.390 121.390 120.850 0.540 17519
6577 1 12 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.908 -0.081 17519
6578 1 12 . 1 1 79 79 PHE C C 608 175.786 175.786 174.635 1.151 17519
6579 1 12 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.517 0.334 17519
6580 1 12 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.611 -0.048 17519
6581 1 12 . 1 1 79 79 PHE H H 608 9.240 9.240 9.015 0.225 17519
6582 1 12 . 1 1 80 80 SER N N 609 117.589 117.589 115.984 1.605 17519
6583 1 12 . 1 1 80 80 SER HA H 609 4.979 4.979 4.927 0.052 17519
6584 1 12 . 1 1 80 80 SER C C 609 173.269 173.269 174.879 -1.610 17519
6585 1 12 . 1 1 80 80 SER CA C 609 57.811 57.811 56.575 1.236 17519
6586 1 12 . 1 1 80 80 SER CB C 609 64.856 64.856 65.036 -0.180 17519
6587 1 12 . 1 1 80 80 SER H H 609 8.948 8.948 8.515 0.433 17519
6588 1 12 . 1 1 81 81 THR N N 610 112.845 112.845 116.178 -3.333 17519
6589 1 12 . 1 1 81 81 THR HA H 610 3.871 3.871 4.165 -0.294 17519
6590 1 12 . 1 1 81 81 THR C C 610 174.439 174.439 175.392 -0.953 17519
6591 1 12 . 1 1 81 81 THR CA C 610 64.353 64.353 63.501 0.852 17519
6592 1 12 . 1 1 81 81 THR CB C 610 69.421 69.421 69.129 0.291 17519
6593 1 12 . 1 1 82 82 GLY N N 611 112.157 112.157 112.984 -0.827 17519
6594 1 12 . 1 1 82 82 GLY C C 611 174.430 174.430 172.467 1.963 17519
6595 1 12 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.675 -0.809 17519
6596 1 12 . 1 1 82 82 GLY H H 611 8.468 8.468 8.019 0.449 17519
6597 1 12 . 1 1 83 83 THR N N 612 120.992 120.992 119.068 1.924 17519
6598 1 12 . 1 1 83 83 THR HA H 612 5.483 5.483 5.207 0.276 17519
6599 1 12 . 1 1 83 83 THR C C 612 174.819 174.819 173.619 1.200 17519
6600 1 12 . 1 1 83 83 THR CA C 612 62.563 62.563 61.708 0.855 17519
6601 1 12 . 1 1 83 83 THR CB C 612 70.093 70.093 70.360 -0.267 17519
6602 1 12 . 1 1 83 83 THR H H 612 8.736 8.736 8.213 0.523 17519
6603 1 12 . 1 1 84 84 SER N N 613 122.602 122.602 120.911 1.691 17519
6604 1 12 . 1 1 84 84 SER HA H 613 5.489 5.489 4.823 0.666 17519
6605 1 12 . 1 1 84 84 SER C C 613 172.064 172.064 172.570 -0.506 17519
6606 1 12 . 1 1 84 84 SER CA C 613 58.813 58.813 56.781 2.032 17519
6607 1 12 . 1 1 84 84 SER CB C 613 67.694 67.694 64.873 2.821 17519
6608 1 12 . 1 1 84 84 SER H H 613 9.051 9.051 8.979 0.072 17519
6609 1 12 . 1 1 85 85 THR N N 614 117.759 117.759 120.000 -2.241 17519
6610 1 12 . 1 1 85 85 THR HA H 614 5.256 5.256 5.281 -0.025 17519
6611 1 12 . 1 1 85 85 THR C C 614 173.632 173.632 173.108 0.524 17519
6612 1 12 . 1 1 85 85 THR CA C 614 62.724 62.724 61.529 1.195 17519
6613 1 12 . 1 1 85 85 THR CB C 614 70.908 70.908 70.626 0.282 17519
6614 1 12 . 1 1 85 85 THR H H 614 9.523 9.523 8.380 1.143 17519
6615 1 12 . 1 1 86 86 TYR N N 615 131.519 131.519 128.643 2.876 17519
6616 1 12 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.656 0.557 17519
6617 1 12 . 1 1 86 86 TYR C C 615 172.999 172.999 174.871 -1.872 17519
6618 1 12 . 1 1 86 86 TYR CA C 615 57.163 57.163 57.754 -0.591 17519
6619 1 12 . 1 1 86 86 TYR CB C 615 41.569 41.569 41.212 0.356 17519
6620 1 12 . 1 1 86 86 TYR H H 615 10.029 10.029 9.565 0.464 17519
6621 1 12 . 1 1 87 87 THR N N 616 124.674 124.674 123.138 1.536 17519
6622 1 12 . 1 1 87 87 THR HA H 616 4.370 4.370 4.864 -0.494 17519
6623 1 12 . 1 1 87 87 THR CA C 616 58.725 58.725 59.969 -1.244 17519
6624 1 12 . 1 1 87 87 THR CB C 616 70.070 70.070 69.862 0.208 17519
6625 1 12 . 1 1 87 87 THR H H 616 8.027 8.027 8.951 -0.924 17519
6626 1 12 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.827 -0.735 17519
6627 1 12 . 1 1 88 88 PRO C C 617 177.011 177.011 176.603 0.408 17519
6628 1 12 . 1 1 88 88 PRO CA C 617 62.887 62.887 61.864 1.023 17519
6629 1 12 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.273 0.051 17519
6630 1 12 . 1 1 89 89 GLY N N 618 108.881 108.881 108.137 0.744 17519
6631 1 12 . 1 1 89 89 GLY C C 618 173.673 173.673 174.879 -1.206 17519
6632 1 12 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.041 -0.045 17519
6633 1 12 . 1 1 89 89 GLY H H 618 8.261 8.261 8.107 0.154 17519
6634 1 12 . 1 1 90 90 SER N N 619 114.743 114.743 117.751 -3.008 17519
6635 1 12 . 1 1 90 90 SER HA H 619 4.537 4.537 4.463 0.074 17519
6636 1 12 . 1 1 90 90 SER C C 619 175.706 175.706 174.318 1.388 17519
6637 1 12 . 1 1 90 90 SER CA C 619 57.617 57.617 57.524 0.093 17519
6638 1 12 . 1 1 90 90 SER CB C 619 64.294 64.294 60.774 3.520 17519
6639 1 12 . 1 1 90 90 SER H H 619 8.380 8.380 8.560 -0.180 17519
6640 1 12 . 1 1 91 91 ASN N N 620 121.360 121.360 118.427 2.933 17519
6641 1 12 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.486 -0.074 17519
6642 1 12 . 1 1 91 91 ASN C C 620 175.289 175.289 176.214 -0.925 17519
6643 1 12 . 1 1 91 91 ASN CA C 620 54.353 54.353 54.638 -0.284 17519
6644 1 12 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.518 -0.785 17519
6645 1 12 . 1 1 91 91 ASN H H 620 9.296 9.296 7.823 1.473 17519
6646 1 12 . 1 1 92 92 GLY N N 621 105.883 105.883 108.316 -2.433 17519
6647 1 12 . 1 1 92 92 GLY C C 621 174.510 174.510 173.143 1.367 17519
6648 1 12 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.570 -0.341 17519
6649 1 12 . 1 1 92 92 GLY H H 621 8.528 8.528 8.924 -0.396 17519
6650 1 12 . 1 1 93 93 ALA N N 622 123.803 123.803 124.477 -0.674 17519
6651 1 12 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.652 -0.236 17519
6652 1 12 . 1 1 93 93 ALA C C 622 176.820 176.820 176.203 0.617 17519
6653 1 12 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.264 1.587 17519
6654 1 12 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.054 -0.250 17519
6655 1 12 . 1 1 93 93 ALA H H 622 7.486 7.486 7.897 -0.411 17519
6656 1 12 . 1 1 94 94 ALA N N 623 123.284 123.284 126.560 -3.276 17519
6657 1 12 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.238 0.352 17519
6658 1 12 . 1 1 94 94 ALA C C 623 178.770 178.770 177.496 1.274 17519
6659 1 12 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.039 -0.412 17519
6660 1 12 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.623 0.464 17519
6661 1 12 . 1 1 94 94 ALA H H 623 8.397 8.397 8.719 -0.322 17519
6662 1 12 . 1 1 95 95 GLY N N 624 108.970 108.970 106.163 2.807 17519
6663 1 12 . 1 1 95 95 GLY C C 624 173.156 173.156 173.313 -0.157 17519
6664 1 12 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.357 0.500 17519
6665 1 12 . 1 1 95 95 GLY H H 624 8.438 8.438 8.541 -0.103 17519
6666 1 12 . 1 1 96 96 THR N N 625 108.929 108.929 110.764 -1.835 17519
6667 1 12 . 1 1 96 96 THR HA H 625 4.603 4.603 4.399 0.204 17519
6668 1 12 . 1 1 96 96 THR C C 625 172.765 172.765 172.601 0.164 17519
6669 1 12 . 1 1 96 96 THR CA C 625 60.350 60.350 60.598 -0.248 17519
6670 1 12 . 1 1 96 96 THR CB C 625 72.295 72.295 71.863 0.432 17519
6671 1 12 . 1 1 96 96 THR H H 625 7.833 7.833 8.162 -0.329 17519
6672 1 12 . 1 1 97 97 ILE N N 626 123.623 123.623 119.527 4.096 17519
6673 1 12 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.034 -0.217 17519
6674 1 12 . 1 1 97 97 ILE C C 626 175.596 175.596 175.232 0.364 17519
6675 1 12 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.593 1.456 17519
6676 1 12 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.450 1.728 17519
6677 1 12 . 1 1 97 97 ILE H H 626 8.594 8.594 8.206 0.388 17519
6678 1 12 . 1 1 98 98 ARG N N 627 127.431 127.431 128.812 -1.381 17519
6679 1 12 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.715 0.220 17519
6680 1 12 . 1 1 98 98 ARG C C 627 175.183 175.183 175.133 0.050 17519
6681 1 12 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.632 -0.864 17519
6682 1 12 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.842 0.934 17519
6683 1 12 . 1 1 98 98 ARG H H 627 8.979 8.979 8.897 0.082 17519
6684 1 12 . 1 1 99 99 THR N N 628 118.452 118.452 119.906 -1.454 17519
6685 1 12 . 1 1 99 99 THR HA H 628 4.410 4.410 4.521 -0.111 17519
6686 1 12 . 1 1 99 99 THR C C 628 174.845 174.845 175.074 -0.229 17519
6687 1 12 . 1 1 99 99 THR CA C 628 63.962 63.962 62.226 1.736 17519
6688 1 12 . 1 1 99 99 THR CB C 628 69.488 69.488 69.291 0.197 17519
6689 1 12 . 1 1 99 99 THR H H 628 8.697 8.697 8.467 0.230 17519
6690 1 12 . 1 1 100 100 GLY N N 629 114.137 114.137 109.885 4.252 17519
6691 1 12 . 1 1 100 100 GLY C C 629 171.903 171.903 172.843 -0.940 17519
6692 1 12 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.395 -0.648 17519
6693 1 12 . 1 1 100 100 GLY H H 629 8.626 8.626 8.676 -0.050 17519
6694 1 12 . 1 1 101 101 ALA N N 630 120.627 120.627 125.643 -5.016 17519
6695 1 12 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.212 -0.520 17519
6696 1 12 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.948 -1.520 17519
6697 1 12 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.597 -0.526 17519
6698 1 12 . 1 1 101 101 ALA H H 630 7.980 7.980 8.275 -0.295 17519
6699 1 12 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.481 -0.356 17519
6700 1 12 . 1 1 102 102 PRO C C 631 175.721 175.721 176.404 -0.683 17519
6701 1 12 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.439 0.501 17519
6702 1 12 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.507 -0.762 17519
6703 1 12 . 1 1 103 103 SER N N 632 113.689 113.689 116.993 -3.304 17519
6704 1 12 . 1 1 103 103 SER HA H 632 4.295 4.295 4.528 -0.233 17519
6705 1 12 . 1 1 103 103 SER C C 632 173.816 173.816 174.849 -1.033 17519
6706 1 12 . 1 1 103 103 SER CA C 632 57.689 57.689 58.093 -0.404 17519
6707 1 12 . 1 1 103 103 SER CB C 632 64.133 64.133 62.976 1.157 17519
6708 1 12 . 1 1 103 103 SER H H 632 7.969 7.969 8.373 -0.404 17519
6709 1 13 . 1 1 2 2 GLY C C 531 174.309 174.309 175.359 -1.050 17519
6710 1 13 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.967 0.209 17519
6711 1 13 . 1 1 3 3 THR N N 532 113.802 113.802 116.880 -3.078 17519
6712 1 13 . 1 1 3 3 THR HA H 532 4.429 4.429 3.797 0.632 17519
6713 1 13 . 1 1 3 3 THR C C 532 174.430 174.430 174.403 0.027 17519
6714 1 13 . 1 1 3 3 THR CA C 532 61.577 61.577 64.490 -2.913 17519
6715 1 13 . 1 1 3 3 THR CB C 532 69.849 69.849 68.657 1.192 17519
6716 1 13 . 1 1 3 3 THR H H 532 8.140 8.140 8.371 -0.231 17519
6717 1 13 . 1 1 4 4 THR N N 533 115.407 115.407 114.685 0.722 17519
6718 1 13 . 1 1 4 4 THR HA H 533 4.350 4.350 3.914 0.436 17519
6719 1 13 . 1 1 4 4 THR C C 533 173.831 173.831 173.479 0.352 17519
6720 1 13 . 1 1 4 4 THR CA C 533 60.266 60.266 63.486 -3.220 17519
6721 1 13 . 1 1 4 4 THR CB C 533 69.788 69.788 68.626 1.161 17519
6722 1 13 . 1 1 4 4 THR H H 533 8.019 8.019 8.302 -0.283 17519
6723 1 13 . 1 1 5 5 ASN N N 534 121.822 121.822 120.537 1.285 17519
6724 1 13 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.830 0.006 17519
6725 1 13 . 1 1 5 5 ASN C C 534 174.057 174.057 174.223 -0.166 17519
6726 1 13 . 1 1 5 5 ASN CA C 534 52.686 52.686 53.570 -0.884 17519
6727 1 13 . 1 1 5 5 ASN CB C 534 39.156 39.156 39.375 -0.219 17519
6728 1 13 . 1 1 5 5 ASN H H 534 8.863 8.863 8.482 0.381 17519
6729 1 13 . 1 1 6 6 LYS N N 535 119.369 119.369 119.047 0.322 17519
6730 1 13 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.133 0.052 17519
6731 1 13 . 1 1 6 6 LYS C C 535 175.924 175.924 175.324 0.600 17519
6732 1 13 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.326 -0.795 17519
6733 1 13 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.546 -0.530 17519
6734 1 13 . 1 1 6 6 LYS H H 535 8.347 8.347 8.187 0.160 17519
6735 1 13 . 1 1 7 7 VAL N N 536 123.112 123.112 122.013 1.099 17519
6736 1 13 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.513 0.060 17519
6737 1 13 . 1 1 7 7 VAL C C 536 174.602 174.602 175.452 -0.850 17519
6738 1 13 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.677 0.468 17519
6739 1 13 . 1 1 7 7 VAL CB C 536 34.773 34.773 33.136 1.637 17519
6740 1 13 . 1 1 7 7 VAL H H 536 8.828 8.828 9.061 -0.233 17519
6741 1 13 . 1 1 8 8 THR N N 537 125.255 125.255 123.393 1.862 17519
6742 1 13 . 1 1 8 8 THR HA H 537 5.396 5.396 4.949 0.447 17519
6743 1 13 . 1 1 8 8 THR C C 537 173.129 173.129 173.783 -0.654 17519
6744 1 13 . 1 1 8 8 THR CA C 537 61.611 61.611 62.635 -1.024 17519
6745 1 13 . 1 1 8 8 THR CB C 537 70.113 70.113 70.031 0.082 17519
6746 1 13 . 1 1 8 8 THR H H 537 8.914 8.914 8.844 0.070 17519
6747 1 13 . 1 1 9 9 VAL N N 538 126.696 126.696 125.804 0.892 17519
6748 1 13 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.773 -0.239 17519
6749 1 13 . 1 1 9 9 VAL C C 538 175.565 175.565 174.283 1.282 17519
6750 1 13 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.897 -0.018 17519
6751 1 13 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.325 0.854 17519
6752 1 13 . 1 1 9 9 VAL H H 538 8.585 8.585 9.113 -0.528 17519
6753 1 13 . 1 1 10 10 TYR N N 539 124.488 124.488 128.014 -3.526 17519
6754 1 13 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.308 -0.050 17519
6755 1 13 . 1 1 10 10 TYR C C 539 174.309 174.309 174.554 -0.245 17519
6756 1 13 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.670 0.595 17519
6757 1 13 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.312 -0.902 17519
6758 1 13 . 1 1 10 10 TYR H H 539 9.111 9.111 9.071 0.040 17519
6759 1 13 . 1 1 11 11 TYR N N 540 125.848 125.848 127.292 -1.444 17519
6760 1 13 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.766 -0.740 17519
6761 1 13 . 1 1 11 11 TYR C C 540 173.346 173.346 173.857 -0.511 17519
6762 1 13 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.377 2.225 17519
6763 1 13 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.685 0.273 17519
6764 1 13 . 1 1 11 11 TYR H H 540 9.580 9.580 8.864 0.716 17519
6765 1 13 . 1 1 12 12 LYS N N 541 131.489 131.489 128.025 3.464 17519
6766 1 13 . 1 1 12 12 LYS HA H 541 3.452 3.452 4.135 -0.683 17519
6767 1 13 . 1 1 12 12 LYS C C 541 172.904 172.904 174.878 -1.974 17519
6768 1 13 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.946 0.769 17519
6769 1 13 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.437 -0.340 17519
6770 1 13 . 1 1 12 12 LYS H H 541 8.406 8.406 8.634 -0.228 17519
6771 1 13 . 1 1 13 13 LYS N N 542 125.132 125.132 126.496 -1.364 17519
6772 1 13 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.789 0.149 17519
6773 1 13 . 1 1 13 13 LYS C C 542 180.078 180.078 176.180 3.898 17519
6774 1 13 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.361 -3.925 17519
6775 1 13 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.833 -1.228 17519
6776 1 13 . 1 1 13 13 LYS H H 542 7.515 7.515 7.490 0.025 17519
6777 1 13 . 1 1 14 14 GLY N N 543 112.724 112.724 113.448 -0.724 17519
6778 1 13 . 1 1 14 14 GLY C C 543 174.151 174.151 173.274 0.877 17519
6779 1 13 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.617 1.673 17519
6780 1 13 . 1 1 14 14 GLY H H 543 7.629 7.629 8.026 -0.397 17519
6781 1 13 . 1 1 15 15 PHE N N 544 121.583 121.583 119.643 1.940 17519
6782 1 13 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.927 -0.205 17519
6783 1 13 . 1 1 15 15 PHE C C 544 175.876 175.876 175.559 0.317 17519
6784 1 13 . 1 1 15 15 PHE CA C 544 57.110 57.110 57.600 -0.490 17519
6785 1 13 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.230 -1.839 17519
6786 1 13 . 1 1 15 15 PHE H H 544 8.557 8.557 8.801 -0.244 17519
6787 1 13 . 1 1 16 16 ASN N N 545 117.559 117.559 117.015 0.544 17519
6788 1 13 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.804 -0.340 17519
6789 1 13 . 1 1 16 16 ASN C C 545 176.289 176.289 174.425 1.864 17519
6790 1 13 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.714 2.706 17519
6791 1 13 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.413 -0.151 17519
6792 1 13 . 1 1 16 16 ASN H H 545 8.561 8.561 8.624 -0.063 17519
6793 1 13 . 1 1 17 17 SER N N 546 112.901 112.901 113.794 -0.893 17519
6794 1 13 . 1 1 17 17 SER HA H 546 4.862 4.862 4.837 0.025 17519
6795 1 13 . 1 1 17 17 SER CA C 546 53.586 53.586 56.212 -2.626 17519
6796 1 13 . 1 1 17 17 SER CB C 546 63.708 63.708 62.980 0.728 17519
6797 1 13 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.760 -0.167 17519
6798 1 13 . 1 1 18 18 PRO C C 547 175.806 175.806 175.428 0.378 17519
6799 1 13 . 1 1 18 18 PRO CA C 547 62.521 62.521 61.969 0.552 17519
6800 1 13 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.412 0.251 17519
6801 1 13 . 1 1 19 19 TYR N N 548 122.230 122.230 117.690 4.540 17519
6802 1 13 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.477 0.400 17519
6803 1 13 . 1 1 19 19 TYR C C 548 174.660 174.660 174.853 -0.193 17519
6804 1 13 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.309 -0.650 17519
6805 1 13 . 1 1 19 19 TYR CB C 548 40.462 40.462 42.923 -2.461 17519
6806 1 13 . 1 1 19 19 TYR H H 548 9.141 9.141 8.428 0.713 17519
6807 1 13 . 1 1 20 20 ILE N N 549 118.425 118.425 115.891 2.534 17519
6808 1 13 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.700 0.372 17519
6809 1 13 . 1 1 20 20 ILE C C 549 171.422 171.422 173.440 -2.018 17519
6810 1 13 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.995 -0.566 17519
6811 1 13 . 1 1 20 20 ILE CB C 549 41.756 41.756 40.942 0.814 17519
6812 1 13 . 1 1 21 21 HIS N N 550 133.248 133.248 126.446 6.802 17519
6813 1 13 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.986 0.377 17519
6814 1 13 . 1 1 21 21 HIS C C 550 174.988 174.988 174.094 0.894 17519
6815 1 13 . 1 1 21 21 HIS CA C 550 53.915 53.915 53.938 -0.023 17519
6816 1 13 . 1 1 21 21 HIS CB C 550 34.774 34.774 33.136 1.638 17519
6817 1 13 . 1 1 21 21 HIS H H 550 8.956 8.956 8.518 0.438 17519
6818 1 13 . 1 1 22 22 TYR N N 551 121.831 121.831 125.637 -3.806 17519
6819 1 13 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.744 0.439 17519
6820 1 13 . 1 1 22 22 TYR C C 551 173.934 173.934 174.638 -0.704 17519
6821 1 13 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.789 1.879 17519
6822 1 13 . 1 1 22 22 TYR CB C 551 42.718 42.718 42.214 0.504 17519
6823 1 13 . 1 1 22 22 TYR H H 551 8.204 8.204 8.267 -0.063 17519
6824 1 13 . 1 1 23 23 ARG N N 552 115.619 115.619 119.766 -4.147 17519
6825 1 13 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.983 -0.221 17519
6826 1 13 . 1 1 23 23 ARG CA C 552 52.480 52.480 53.047 -0.567 17519
6827 1 13 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.463 -1.425 17519
6828 1 13 . 1 1 23 23 ARG H H 552 8.674 8.674 9.508 -0.834 17519
6829 1 13 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.609 -0.053 17519
6830 1 13 . 1 1 24 24 PRO C C 553 176.736 176.736 177.061 -0.325 17519
6831 1 13 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.206 0.146 17519
6832 1 13 . 1 1 24 24 PRO CB C 553 31.880 31.880 33.038 -1.158 17519
6833 1 13 . 1 1 25 25 ALA N N 554 125.908 125.908 124.759 1.149 17519
6834 1 13 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.915 0.107 17519
6835 1 13 . 1 1 25 25 ALA C C 554 179.217 179.217 177.869 1.348 17519
6836 1 13 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.539 -0.454 17519
6837 1 13 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.807 -0.575 17519
6838 1 13 . 1 1 25 25 ALA H H 554 8.293 8.293 8.284 0.009 17519
6839 1 13 . 1 1 26 26 GLY N N 555 111.766 111.766 105.884 5.882 17519
6840 1 13 . 1 1 26 26 GLY C C 555 174.796 174.796 173.478 1.318 17519
6841 1 13 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.727 0.914 17519
6842 1 13 . 1 1 26 26 GLY H H 555 8.602 8.602 7.935 0.667 17519
6843 1 13 . 1 1 27 27 GLY N N 556 109.512 109.512 110.457 -0.945 17519
6844 1 13 . 1 1 27 27 GLY C C 556 173.368 173.368 173.197 0.171 17519
6845 1 13 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.515 -1.309 17519
6846 1 13 . 1 1 27 27 GLY H H 556 8.494 8.494 8.009 0.485 17519
6847 1 13 . 1 1 28 28 SER N N 557 117.962 117.962 114.483 3.479 17519
6848 1 13 . 1 1 28 28 SER HA H 557 4.690 4.690 4.598 0.092 17519
6849 1 13 . 1 1 28 28 SER C C 557 173.656 173.656 171.965 1.691 17519
6850 1 13 . 1 1 28 28 SER CA C 557 57.492 57.492 57.646 -0.154 17519
6851 1 13 . 1 1 28 28 SER CB C 557 64.803 64.803 64.167 0.636 17519
6852 1 13 . 1 1 28 28 SER H H 557 8.681 8.681 7.843 0.838 17519
6853 1 13 . 1 1 29 29 TRP N N 558 123.928 123.928 120.678 3.250 17519
6854 1 13 . 1 1 29 29 TRP HA H 558 4.452 4.452 5.030 -0.578 17519
6855 1 13 . 1 1 29 29 TRP C C 558 178.891 178.891 176.729 2.162 17519
6856 1 13 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.103 1.971 17519
6857 1 13 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.668 0.038 17519
6858 1 13 . 1 1 29 29 TRP H H 558 8.392 8.392 8.566 -0.174 17519
6859 1 13 . 1 1 30 30 THR N N 559 111.067 111.067 114.930 -3.863 17519
6860 1 13 . 1 1 30 30 THR HA H 559 4.037 4.037 4.066 -0.029 17519
6861 1 13 . 1 1 30 30 THR C C 559 174.782 174.782 174.450 0.332 17519
6862 1 13 . 1 1 30 30 THR CA C 559 61.321 61.321 62.878 -1.557 17519
6863 1 13 . 1 1 30 30 THR CB C 559 70.561 70.561 69.633 0.928 17519
6864 1 13 . 1 1 30 30 THR H H 559 7.953 7.953 8.177 -0.224 17519
6865 1 13 . 1 1 31 31 ALA N N 560 123.046 123.046 127.360 -4.314 17519
6866 1 13 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.134 0.317 17519
6867 1 13 . 1 1 31 31 ALA C C 560 178.493 178.493 176.901 1.592 17519
6868 1 13 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.376 -0.462 17519
6869 1 13 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.547 -0.548 17519
6870 1 13 . 1 1 31 31 ALA H H 560 8.437 8.437 8.244 0.193 17519
6871 1 13 . 1 1 32 32 ALA N N 561 129.644 129.644 127.233 2.411 17519
6872 1 13 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.338 -0.397 17519
6873 1 13 . 1 1 32 32 ALA CA C 561 51.756 51.756 50.319 1.438 17519
6874 1 13 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.965 -2.815 17519
6875 1 13 . 1 1 32 32 ALA H H 561 8.828 8.828 8.218 0.610 17519
6876 1 13 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.371 -0.473 17519
6877 1 13 . 1 1 33 33 PRO C C 562 173.280 173.280 176.830 -3.550 17519
6878 1 13 . 1 1 33 33 PRO CA C 562 63.439 63.439 61.979 1.460 17519
6879 1 13 . 1 1 33 33 PRO CB C 562 33.511 33.511 32.937 0.574 17519
6880 1 13 . 1 1 34 34 GLY N N 563 112.224 112.224 110.727 1.497 17519
6881 1 13 . 1 1 34 34 GLY C C 563 173.977 173.977 174.300 -0.323 17519
6882 1 13 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.743 -1.794 17519
6883 1 13 . 1 1 34 34 GLY H H 563 8.763 8.763 8.022 0.741 17519
6884 1 13 . 1 1 35 35 VAL N N 564 123.427 123.427 117.722 5.705 17519
6885 1 13 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.331 0.070 17519
6886 1 13 . 1 1 35 35 VAL C C 564 174.734 174.734 174.425 0.309 17519
6887 1 13 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.093 0.795 17519
6888 1 13 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.305 -0.404 17519
6889 1 13 . 1 1 36 36 LYS N N 565 128.212 128.212 124.903 3.309 17519
6890 1 13 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.952 -0.843 17519
6891 1 13 . 1 1 36 36 LYS C C 565 176.437 176.437 175.984 0.453 17519
6892 1 13 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.345 1.842 17519
6893 1 13 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.908 0.506 17519
6894 1 13 . 1 1 36 36 LYS H H 565 8.486 8.486 8.429 0.057 17519
6895 1 13 . 1 1 37 37 MET N N 566 124.964 124.964 122.570 2.394 17519
6896 1 13 . 1 1 37 37 MET HA H 566 4.228 4.228 4.082 0.146 17519
6897 1 13 . 1 1 37 37 MET C C 566 175.652 175.652 175.839 -0.187 17519
6898 1 13 . 1 1 37 37 MET CA C 566 56.485 56.485 57.103 -0.618 17519
6899 1 13 . 1 1 37 37 MET CB C 566 35.011 35.011 32.872 2.139 17519
6900 1 13 . 1 1 37 37 MET H H 566 8.202 8.202 8.327 -0.125 17519
6901 1 13 . 1 1 38 38 GLN N N 567 121.561 121.561 120.653 0.908 17519
6902 1 13 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.487 -0.050 17519
6903 1 13 . 1 1 38 38 GLN C C 567 175.809 175.809 174.744 1.065 17519
6904 1 13 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.277 0.545 17519
6905 1 13 . 1 1 38 38 GLN CB C 567 30.182 30.182 32.292 -2.111 17519
6906 1 13 . 1 1 38 38 GLN H H 567 8.489 8.489 8.129 0.360 17519
6907 1 13 . 1 1 39 39 ASP N N 568 121.881 121.881 125.715 -3.834 17519
6908 1 13 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.636 0.147 17519
6909 1 13 . 1 1 39 39 ASP C C 568 176.715 176.715 175.925 0.790 17519
6910 1 13 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.328 0.839 17519
6911 1 13 . 1 1 39 39 ASP CB C 568 40.239 40.239 40.301 -0.062 17519
6912 1 13 . 1 1 39 39 ASP H H 568 8.780 8.780 8.658 0.122 17519
6913 1 13 . 1 1 40 40 ALA N N 569 122.696 122.696 126.872 -4.176 17519
6914 1 13 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.070 0.282 17519
6915 1 13 . 1 1 40 40 ALA C C 569 175.165 175.165 177.518 -2.353 17519
6916 1 13 . 1 1 40 40 ALA CA C 569 50.493 50.493 52.505 -2.012 17519
6917 1 13 . 1 1 40 40 ALA CB C 569 21.735 21.735 19.789 1.946 17519
6918 1 13 . 1 1 40 40 ALA H H 569 8.463 8.463 8.170 0.293 17519
6919 1 13 . 1 1 41 41 GLU N N 570 120.083 120.083 117.717 2.366 17519
6920 1 13 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.511 -0.160 17519
6921 1 13 . 1 1 41 41 GLU C C 570 174.683 174.683 177.406 -2.723 17519
6922 1 13 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.860 0.665 17519
6923 1 13 . 1 1 41 41 GLU CB C 570 27.231 27.231 29.942 -2.711 17519
6924 1 13 . 1 1 41 41 GLU H H 570 10.398 10.398 8.503 1.895 17519
6925 1 13 . 1 1 42 42 ILE N N 571 119.363 119.363 120.110 -0.747 17519
6926 1 13 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.276 0.103 17519
6927 1 13 . 1 1 42 42 ILE C C 571 174.913 174.913 176.495 -1.582 17519
6928 1 13 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.708 -2.888 17519
6929 1 13 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.591 0.995 17519
6930 1 13 . 1 1 42 42 ILE H H 571 6.526 6.526 8.015 -1.489 17519
6931 1 13 . 1 1 43 43 SER N N 572 121.258 121.258 115.083 6.175 17519
6932 1 13 . 1 1 43 43 SER HA H 572 4.352 4.352 4.556 -0.204 17519
6933 1 13 . 1 1 43 43 SER C C 572 175.617 175.617 173.714 1.903 17519
6934 1 13 . 1 1 43 43 SER CA C 572 60.125 60.125 58.365 1.760 17519
6935 1 13 . 1 1 43 43 SER CB C 572 63.063 63.063 63.712 -0.649 17519
6936 1 13 . 1 1 43 43 SER H H 572 8.618 8.618 8.292 0.326 17519
6937 1 13 . 1 1 44 44 GLY N N 573 111.836 111.836 111.077 0.759 17519
6938 1 13 . 1 1 44 44 GLY C C 573 173.828 173.828 172.134 1.694 17519
6939 1 13 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.173 -0.318 17519
6940 1 13 . 1 1 44 44 GLY H H 573 8.691 8.691 8.543 0.148 17519
6941 1 13 . 1 1 45 45 TYR N N 574 116.297 116.297 120.118 -3.821 17519
6942 1 13 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.597 1.164 17519
6943 1 13 . 1 1 45 45 TYR C C 574 175.520 175.520 174.658 0.862 17519
6944 1 13 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.376 -0.857 17519
6945 1 13 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.793 1.124 17519
6946 1 13 . 1 1 45 45 TYR H H 574 7.854 7.854 7.749 0.105 17519
6947 1 13 . 1 1 46 46 ALA N N 575 126.117 126.117 122.499 3.618 17519
6948 1 13 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.852 0.555 17519
6949 1 13 . 1 1 46 46 ALA C C 575 176.096 176.096 175.203 0.893 17519
6950 1 13 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.290 0.082 17519
6951 1 13 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.833 2.533 17519
6952 1 13 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.444 0.266 17519
6953 1 13 . 1 1 47 47 LYS C C 576 173.794 173.794 174.681 -0.887 17519
6954 1 13 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.304 0.086 17519
6955 1 13 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.452 0.489 17519
6956 1 13 . 1 1 48 48 ILE N N 577 120.000 120.000 120.038 -0.038 17519
6957 1 13 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.663 -0.218 17519
6958 1 13 . 1 1 48 48 ILE C C 577 171.242 171.242 173.257 -2.015 17519
6959 1 13 . 1 1 48 48 ILE CA C 577 60.380 60.380 60.718 -0.338 17519
6960 1 13 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.295 0.021 17519
6961 1 13 . 1 1 48 48 ILE H H 577 8.041 8.041 8.969 -0.928 17519
6962 1 13 . 1 1 49 49 THR N N 578 122.357 122.357 121.430 0.927 17519
6963 1 13 . 1 1 49 49 THR HA H 578 5.344 5.344 5.612 -0.268 17519
6964 1 13 . 1 1 49 49 THR C C 578 173.601 173.601 173.970 -0.369 17519
6965 1 13 . 1 1 49 49 THR CA C 578 61.849 61.849 60.864 0.985 17519
6966 1 13 . 1 1 49 49 THR CB C 578 70.593 70.593 70.898 -0.305 17519
6967 1 13 . 1 1 49 49 THR H H 578 8.043 8.043 8.173 -0.130 17519
6968 1 13 . 1 1 50 50 VAL N N 579 126.489 126.489 126.017 0.472 17519
6969 1 13 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.357 -0.217 17519
6970 1 13 . 1 1 50 50 VAL C C 579 174.015 174.015 174.212 -0.197 17519
6971 1 13 . 1 1 50 50 VAL CA C 579 60.252 60.252 61.046 -0.794 17519
6972 1 13 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.359 -0.206 17519
6973 1 13 . 1 1 50 50 VAL H H 579 9.349 9.349 8.794 0.555 17519
6974 1 13 . 1 1 51 51 ASP N N 580 126.891 126.891 128.387 -1.496 17519
6975 1 13 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.203 -0.336 17519
6976 1 13 . 1 1 51 51 ASP C C 580 176.752 176.752 176.222 0.530 17519
6977 1 13 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.669 -0.143 17519
6978 1 13 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.983 -0.167 17519
6979 1 13 . 1 1 51 51 ASP H H 580 8.616 8.616 8.638 -0.022 17519
6980 1 13 . 1 1 52 52 ILE N N 581 118.893 118.893 119.343 -0.450 17519
6981 1 13 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.700 -0.112 17519
6982 1 13 . 1 1 52 52 ILE C C 581 176.717 176.717 175.950 0.767 17519
6983 1 13 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.303 -0.202 17519
6984 1 13 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.938 -0.883 17519
6985 1 13 . 1 1 52 52 ILE H H 581 8.627 8.627 8.732 -0.105 17519
6986 1 13 . 1 1 53 53 GLY N N 582 114.728 114.728 110.729 3.999 17519
6987 1 13 . 1 1 53 53 GLY C C 582 174.442 174.442 174.942 -0.500 17519
6988 1 13 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.545 1.060 17519
6989 1 13 . 1 1 53 53 GLY H H 582 9.075 9.075 8.800 0.275 17519
6990 1 13 . 1 1 54 54 SER N N 583 120.404 120.404 114.643 5.761 17519
6991 1 13 . 1 1 54 54 SER HA H 583 4.549 4.549 4.609 -0.060 17519
6992 1 13 . 1 1 54 54 SER C C 583 175.149 175.149 172.619 2.530 17519
6993 1 13 . 1 1 54 54 SER CA C 583 58.133 58.133 57.729 0.404 17519
6994 1 13 . 1 1 54 54 SER CB C 583 63.647 63.647 62.380 1.268 17519
6995 1 13 . 1 1 54 54 SER H H 583 8.812 8.812 7.878 0.934 17519
6996 1 13 . 1 1 55 55 ALA N N 584 125.527 125.527 122.376 3.151 17519
6997 1 13 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.690 -0.273 17519
6998 1 13 . 1 1 55 55 ALA C C 584 175.867 175.867 175.490 0.377 17519
6999 1 13 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.414 -0.047 17519
7000 1 13 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.660 -0.596 17519
7001 1 13 . 1 1 55 55 ALA H H 584 7.820 7.820 7.666 0.154 17519
7002 1 13 . 1 1 56 56 SER N N 585 109.786 109.786 114.626 -4.840 17519
7003 1 13 . 1 1 56 56 SER HA H 585 4.564 4.564 4.600 -0.036 17519
7004 1 13 . 1 1 56 56 SER C C 585 173.978 173.978 173.933 0.045 17519
7005 1 13 . 1 1 56 56 SER CA C 585 58.220 58.220 58.866 -0.646 17519
7006 1 13 . 1 1 56 56 SER CB C 585 64.962 64.962 64.195 0.767 17519
7007 1 13 . 1 1 56 56 SER H H 585 8.785 8.785 8.630 0.155 17519
7008 1 13 . 1 1 57 57 GLN N N 586 116.690 116.690 118.903 -2.213 17519
7009 1 13 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.708 0.440 17519
7010 1 13 . 1 1 57 57 GLN C C 586 172.923 172.923 173.321 -0.398 17519
7011 1 13 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.154 -1.157 17519
7012 1 13 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.517 2.023 17519
7013 1 13 . 1 1 57 57 GLN H H 586 7.144 7.144 7.596 -0.452 17519
7014 1 13 . 1 1 58 58 LEU N N 587 123.011 123.011 123.614 -0.603 17519
7015 1 13 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.050 -0.382 17519
7016 1 13 . 1 1 58 58 LEU C C 587 173.426 173.426 174.595 -1.169 17519
7017 1 13 . 1 1 58 58 LEU CA C 587 53.378 53.378 54.434 -1.056 17519
7018 1 13 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.467 1.191 17519
7019 1 13 . 1 1 58 58 LEU H H 587 9.226 9.226 9.140 0.086 17519
7020 1 13 . 1 1 59 59 GLU N N 588 129.185 129.185 125.092 4.093 17519
7021 1 13 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.193 0.116 17519
7022 1 13 . 1 1 59 59 GLU C C 588 175.409 175.409 174.827 0.582 17519
7023 1 13 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.498 0.152 17519
7024 1 13 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.757 0.291 17519
7025 1 13 . 1 1 59 59 GLU H H 588 8.830 8.830 9.280 -0.450 17519
7026 1 13 . 1 1 60 60 ALA N N 589 126.011 126.011 124.708 1.303 17519
7027 1 13 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.009 0.894 17519
7028 1 13 . 1 1 60 60 ALA C C 589 174.861 174.861 175.486 -0.625 17519
7029 1 13 . 1 1 60 60 ALA CA C 589 51.147 51.147 50.838 0.309 17519
7030 1 13 . 1 1 60 60 ALA CB C 589 24.857 24.857 21.634 3.224 17519
7031 1 13 . 1 1 60 60 ALA H H 589 9.748 9.748 8.842 0.906 17519
7032 1 13 . 1 1 61 61 ALA N N 590 120.783 120.783 124.085 -3.302 17519
7033 1 13 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.069 -0.252 17519
7034 1 13 . 1 1 61 61 ALA C C 590 174.731 174.731 175.439 -0.708 17519
7035 1 13 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.502 0.626 17519
7036 1 13 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.586 0.514 17519
7037 1 13 . 1 1 61 61 ALA H H 590 9.392 9.392 9.385 0.007 17519
7038 1 13 . 1 1 62 62 PHE N N 591 116.572 116.572 118.409 -1.837 17519
7039 1 13 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.729 1.278 17519
7040 1 13 . 1 1 62 62 PHE C C 591 175.059 175.059 174.214 0.845 17519
7041 1 13 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.622 -0.166 17519
7042 1 13 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.888 1.435 17519
7043 1 13 . 1 1 62 62 PHE H H 591 8.394 8.394 8.680 -0.286 17519
7044 1 13 . 1 1 63 63 ASN N N 592 116.166 116.166 120.995 -4.829 17519
7045 1 13 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.375 -0.211 17519
7046 1 13 . 1 1 63 63 ASN C C 592 172.073 172.073 175.247 -3.174 17519
7047 1 13 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.209 2.518 17519
7048 1 13 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.846 0.386 17519
7049 1 13 . 1 1 63 63 ASN H H 592 9.117 9.117 8.443 0.674 17519
7050 1 13 . 1 1 64 64 ASP N N 593 118.039 118.039 120.932 -2.893 17519
7051 1 13 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.043 0.176 17519
7052 1 13 . 1 1 64 64 ASP C C 593 177.248 177.248 176.834 0.414 17519
7053 1 13 . 1 1 64 64 ASP CA C 593 52.251 52.251 56.919 -4.668 17519
7054 1 13 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.952 -0.230 17519
7055 1 13 . 1 1 64 64 ASP H H 593 7.558 7.558 7.979 -0.421 17519
7056 1 13 . 1 1 65 65 GLY N N 594 110.622 110.622 106.591 4.031 17519
7057 1 13 . 1 1 65 65 GLY C C 594 173.126 173.126 173.000 0.126 17519
7058 1 13 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.022 0.507 17519
7059 1 13 . 1 1 65 65 GLY H H 594 8.742 8.742 8.244 0.498 17519
7060 1 13 . 1 1 66 66 ASN N N 595 120.863 120.863 118.231 2.632 17519
7061 1 13 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.964 -0.207 17519
7062 1 13 . 1 1 66 66 ASN C C 595 174.434 174.434 173.524 0.910 17519
7063 1 13 . 1 1 66 66 ASN CA C 595 52.167 52.167 54.156 -1.989 17519
7064 1 13 . 1 1 66 66 ASN CB C 595 39.388 39.388 39.020 0.368 17519
7065 1 13 . 1 1 66 66 ASN H H 595 8.424 8.424 8.048 0.376 17519
7066 1 13 . 1 1 67 67 ASN N N 596 113.308 113.308 118.664 -5.356 17519
7067 1 13 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.736 -0.506 17519
7068 1 13 . 1 1 67 67 ASN C C 596 173.796 173.796 174.289 -0.493 17519
7069 1 13 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.395 0.029 17519
7070 1 13 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.113 -0.960 17519
7071 1 13 . 1 1 67 67 ASN H H 596 8.744 8.744 8.817 -0.073 17519
7072 1 13 . 1 1 68 68 ASN N N 597 118.418 118.418 120.173 -1.755 17519
7073 1 13 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.146 -0.028 17519
7074 1 13 . 1 1 68 68 ASN C C 597 173.474 173.474 173.529 -0.055 17519
7075 1 13 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.340 0.798 17519
7076 1 13 . 1 1 68 68 ASN CB C 597 38.622 38.622 39.114 -0.492 17519
7077 1 13 . 1 1 68 68 ASN H H 597 8.032 8.032 8.167 -0.135 17519
7078 1 13 . 1 1 69 69 TRP N N 598 120.990 120.990 124.140 -3.150 17519
7079 1 13 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.443 -0.587 17519
7080 1 13 . 1 1 69 69 TRP C C 598 176.220 176.220 177.021 -0.801 17519
7081 1 13 . 1 1 69 69 TRP CA C 598 57.233 57.233 55.143 2.090 17519
7082 1 13 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.922 1.298 17519
7083 1 13 . 1 1 69 69 TRP H H 598 8.842 8.842 8.712 0.130 17519
7084 1 13 . 1 1 70 70 ASP N N 599 122.210 122.210 127.622 -5.412 17519
7085 1 13 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.990 0.257 17519
7086 1 13 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.736 -0.490 17519
7087 1 13 . 1 1 70 70 ASP CB C 599 41.898 41.898 39.367 2.531 17519
7088 1 13 . 1 1 70 70 ASP H H 599 9.831 9.831 8.917 0.914 17519
7089 1 13 . 1 1 71 71 SER N N 600 117.252 117.252 116.012 1.240 17519
7090 1 13 . 1 1 71 71 SER HA H 600 5.141 5.141 4.734 0.407 17519
7091 1 13 . 1 1 71 71 SER CA C 600 55.907 55.907 60.089 -4.181 17519
7092 1 13 . 1 1 71 71 SER H H 600 9.328 9.328 7.817 1.511 17519
7093 1 13 . 1 1 72 72 ASN N N 601 123.197 123.197 115.985 7.212 17519
7094 1 13 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.825 -0.396 17519
7095 1 13 . 1 1 72 72 ASN C C 601 176.895 176.895 175.006 1.889 17519
7096 1 13 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.778 -0.685 17519
7097 1 13 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.481 0.669 17519
7098 1 13 . 1 1 72 72 ASN H H 601 8.715 8.715 8.587 0.128 17519
7099 1 13 . 1 1 73 73 ASN N N 602 116.099 116.099 117.989 -1.890 17519
7100 1 13 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.432 0.012 17519
7101 1 13 . 1 1 73 73 ASN C C 602 176.304 176.304 174.282 2.022 17519
7102 1 13 . 1 1 73 73 ASN CA C 602 54.465 54.465 55.532 -1.067 17519
7103 1 13 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.287 -1.010 17519
7104 1 13 . 1 1 73 73 ASN H H 602 9.184 9.184 8.961 0.223 17519
7105 1 13 . 1 1 74 74 THR N N 603 110.445 110.445 113.628 -3.183 17519
7106 1 13 . 1 1 74 74 THR HA H 603 3.835 3.835 4.377 -0.542 17519
7107 1 13 . 1 1 74 74 THR C C 603 173.186 173.186 172.936 0.250 17519
7108 1 13 . 1 1 74 74 THR CA C 603 65.006 65.006 62.975 2.031 17519
7109 1 13 . 1 1 74 74 THR CB C 603 69.653 69.653 69.882 -0.229 17519
7110 1 13 . 1 1 74 74 THR H H 603 7.829 7.829 7.867 -0.037 17519
7111 1 13 . 1 1 75 75 LYS N N 604 121.909 121.909 124.464 -2.555 17519
7112 1 13 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.246 -0.109 17519
7113 1 13 . 1 1 75 75 LYS C C 604 177.262 177.262 175.113 2.149 17519
7114 1 13 . 1 1 75 75 LYS CA C 604 57.767 57.767 57.134 0.633 17519
7115 1 13 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.588 -0.212 17519
7116 1 13 . 1 1 75 75 LYS H H 604 7.714 7.714 8.284 -0.570 17519
7117 1 13 . 1 1 76 76 ASN N N 605 108.823 108.823 116.021 -7.198 17519
7118 1 13 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.520 -0.580 17519
7119 1 13 . 1 1 76 76 ASN C C 605 171.742 171.742 174.602 -2.860 17519
7120 1 13 . 1 1 76 76 ASN CA C 605 54.159 54.159 55.019 -0.860 17519
7121 1 13 . 1 1 76 76 ASN CB C 605 39.027 39.027 37.693 1.334 17519
7122 1 13 . 1 1 76 76 ASN H H 605 8.274 8.274 8.189 0.085 17519
7123 1 13 . 1 1 77 77 TYR N N 606 117.628 117.628 117.302 0.326 17519
7124 1 13 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.526 0.301 17519
7125 1 13 . 1 1 77 77 TYR C C 606 174.468 174.468 174.160 0.308 17519
7126 1 13 . 1 1 77 77 TYR CA C 606 57.569 57.569 56.987 0.582 17519
7127 1 13 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.843 -0.288 17519
7128 1 13 . 1 1 77 77 TYR H H 606 9.055 9.055 8.629 0.426 17519
7129 1 13 . 1 1 78 78 LEU N N 607 121.811 121.811 120.323 1.488 17519
7130 1 13 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.207 1.096 17519
7131 1 13 . 1 1 78 78 LEU C C 607 175.673 175.673 175.012 0.661 17519
7132 1 13 . 1 1 78 78 LEU CA C 607 53.244 53.244 53.807 -0.563 17519
7133 1 13 . 1 1 78 78 LEU CB C 607 43.971 43.971 43.333 0.638 17519
7134 1 13 . 1 1 78 78 LEU H H 607 7.983 7.983 8.052 -0.069 17519
7135 1 13 . 1 1 79 79 PHE N N 608 121.390 121.390 122.863 -1.473 17519
7136 1 13 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.881 -0.054 17519
7137 1 13 . 1 1 79 79 PHE C C 608 175.786 175.786 174.167 1.619 17519
7138 1 13 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.709 0.142 17519
7139 1 13 . 1 1 79 79 PHE CB C 608 42.563 42.563 43.141 -0.578 17519
7140 1 13 . 1 1 79 79 PHE H H 608 9.240 9.240 8.639 0.601 17519
7141 1 13 . 1 1 80 80 SER N N 609 117.589 117.589 115.235 2.354 17519
7142 1 13 . 1 1 80 80 SER HA H 609 4.979 4.979 4.794 0.185 17519
7143 1 13 . 1 1 80 80 SER C C 609 173.269 173.269 174.006 -0.737 17519
7144 1 13 . 1 1 80 80 SER CA C 609 57.811 57.811 55.997 1.814 17519
7145 1 13 . 1 1 80 80 SER CB C 609 64.856 64.856 65.095 -0.239 17519
7146 1 13 . 1 1 80 80 SER H H 609 8.948 8.948 8.530 0.418 17519
7147 1 13 . 1 1 81 81 THR N N 610 112.845 112.845 114.919 -2.074 17519
7148 1 13 . 1 1 81 81 THR HA H 610 3.871 3.871 4.061 -0.190 17519
7149 1 13 . 1 1 81 81 THR C C 610 174.439 174.439 175.188 -0.749 17519
7150 1 13 . 1 1 81 81 THR CA C 610 64.353 64.353 63.603 0.750 17519
7151 1 13 . 1 1 81 81 THR CB C 610 69.421 69.421 69.257 0.164 17519
7152 1 13 . 1 1 82 82 GLY N N 611 112.157 112.157 111.245 0.912 17519
7153 1 13 . 1 1 82 82 GLY C C 611 174.430 174.430 172.713 1.717 17519
7154 1 13 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.752 -0.886 17519
7155 1 13 . 1 1 82 82 GLY H H 611 8.468 8.468 8.035 0.433 17519
7156 1 13 . 1 1 83 83 THR N N 612 120.992 120.992 119.449 1.543 17519
7157 1 13 . 1 1 83 83 THR HA H 612 5.483 5.483 5.079 0.404 17519
7158 1 13 . 1 1 83 83 THR C C 612 174.819 174.819 173.575 1.244 17519
7159 1 13 . 1 1 83 83 THR CA C 612 62.563 62.563 61.443 1.120 17519
7160 1 13 . 1 1 83 83 THR CB C 612 70.093 70.093 71.326 -1.233 17519
7161 1 13 . 1 1 83 83 THR H H 612 8.736 8.736 8.241 0.495 17519
7162 1 13 . 1 1 84 84 SER N N 613 122.602 122.602 119.465 3.137 17519
7163 1 13 . 1 1 84 84 SER HA H 613 5.489 5.489 5.033 0.456 17519
7164 1 13 . 1 1 84 84 SER C C 613 172.064 172.064 173.021 -0.957 17519
7165 1 13 . 1 1 84 84 SER CA C 613 58.813 58.813 56.897 1.916 17519
7166 1 13 . 1 1 84 84 SER CB C 613 67.694 67.694 66.000 1.694 17519
7167 1 13 . 1 1 84 84 SER H H 613 9.051 9.051 9.173 -0.122 17519
7168 1 13 . 1 1 85 85 THR N N 614 117.759 117.759 117.551 0.208 17519
7169 1 13 . 1 1 85 85 THR HA H 614 5.256 5.256 5.171 0.085 17519
7170 1 13 . 1 1 85 85 THR C C 614 173.632 173.632 172.993 0.639 17519
7171 1 13 . 1 1 85 85 THR CA C 614 62.724 62.724 61.972 0.752 17519
7172 1 13 . 1 1 85 85 THR CB C 614 70.908 70.908 71.288 -0.380 17519
7173 1 13 . 1 1 85 85 THR H H 614 9.523 9.523 8.549 0.974 17519
7174 1 13 . 1 1 86 86 TYR N N 615 131.519 131.519 128.965 2.554 17519
7175 1 13 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.668 0.545 17519
7176 1 13 . 1 1 86 86 TYR C C 615 172.999 172.999 174.868 -1.869 17519
7177 1 13 . 1 1 86 86 TYR CA C 615 57.163 57.163 57.044 0.119 17519
7178 1 13 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.232 1.337 17519
7179 1 13 . 1 1 86 86 TYR H H 615 10.029 10.029 9.344 0.685 17519
7180 1 13 . 1 1 87 87 THR N N 616 124.674 124.674 123.860 0.814 17519
7181 1 13 . 1 1 87 87 THR HA H 616 4.370 4.370 4.935 -0.565 17519
7182 1 13 . 1 1 87 87 THR CA C 616 58.725 58.725 59.571 -0.846 17519
7183 1 13 . 1 1 87 87 THR CB C 616 70.070 70.070 69.425 0.645 17519
7184 1 13 . 1 1 87 87 THR H H 616 8.027 8.027 8.944 -0.917 17519
7185 1 13 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.387 -0.295 17519
7186 1 13 . 1 1 88 88 PRO C C 617 177.011 177.011 177.014 -0.003 17519
7187 1 13 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.181 0.706 17519
7188 1 13 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.081 0.243 17519
7189 1 13 . 1 1 89 89 GLY N N 618 108.881 108.881 109.123 -0.242 17519
7190 1 13 . 1 1 89 89 GLY C C 618 173.673 173.673 174.528 -0.855 17519
7191 1 13 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.624 -0.628 17519
7192 1 13 . 1 1 89 89 GLY H H 618 8.261 8.261 7.884 0.377 17519
7193 1 13 . 1 1 90 90 SER N N 619 114.743 114.743 115.629 -0.886 17519
7194 1 13 . 1 1 90 90 SER HA H 619 4.537 4.537 4.536 0.001 17519
7195 1 13 . 1 1 90 90 SER C C 619 175.706 175.706 173.446 2.260 17519
7196 1 13 . 1 1 90 90 SER CA C 619 57.617 57.617 58.156 -0.539 17519
7197 1 13 . 1 1 90 90 SER CB C 619 64.294 64.294 63.396 0.898 17519
7198 1 13 . 1 1 90 90 SER H H 619 8.380 8.380 8.333 0.047 17519
7199 1 13 . 1 1 91 91 ASN N N 620 121.360 121.360 119.930 1.430 17519
7200 1 13 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.776 -0.364 17519
7201 1 13 . 1 1 91 91 ASN C C 620 175.289 175.289 175.159 0.130 17519
7202 1 13 . 1 1 91 91 ASN CA C 620 54.353 54.353 54.194 0.159 17519
7203 1 13 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.689 -0.956 17519
7204 1 13 . 1 1 91 91 ASN H H 620 9.296 9.296 8.246 1.050 17519
7205 1 13 . 1 1 92 92 GLY N N 621 105.883 105.883 107.895 -2.012 17519
7206 1 13 . 1 1 92 92 GLY C C 621 174.510 174.510 173.454 1.056 17519
7207 1 13 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.305 -1.076 17519
7208 1 13 . 1 1 92 92 GLY H H 621 8.528 8.528 8.512 0.016 17519
7209 1 13 . 1 1 93 93 ALA N N 622 123.803 123.803 122.174 1.629 17519
7210 1 13 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.558 -0.142 17519
7211 1 13 . 1 1 93 93 ALA C C 622 176.820 176.820 176.062 0.758 17519
7212 1 13 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.722 1.129 17519
7213 1 13 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.349 -0.545 17519
7214 1 13 . 1 1 93 93 ALA H H 622 7.486 7.486 7.955 -0.469 17519
7215 1 13 . 1 1 94 94 ALA N N 623 123.284 123.284 127.431 -4.147 17519
7216 1 13 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.184 0.406 17519
7217 1 13 . 1 1 94 94 ALA C C 623 178.770 178.770 177.843 0.927 17519
7218 1 13 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.903 -0.276 17519
7219 1 13 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.087 1.000 17519
7220 1 13 . 1 1 94 94 ALA H H 623 8.397 8.397 8.668 -0.271 17519
7221 1 13 . 1 1 95 95 GLY N N 624 108.970 108.970 112.303 -3.333 17519
7222 1 13 . 1 1 95 95 GLY C C 624 173.156 173.156 173.200 -0.044 17519
7223 1 13 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.980 -0.124 17519
7224 1 13 . 1 1 95 95 GLY H H 624 8.438 8.438 8.804 -0.366 17519
7225 1 13 . 1 1 96 96 THR N N 625 108.929 108.929 110.404 -1.475 17519
7226 1 13 . 1 1 96 96 THR HA H 625 4.603 4.603 4.416 0.187 17519
7227 1 13 . 1 1 96 96 THR C C 625 172.765 172.765 172.689 0.076 17519
7228 1 13 . 1 1 96 96 THR CA C 625 60.350 60.350 60.794 -0.444 17519
7229 1 13 . 1 1 96 96 THR CB C 625 72.295 72.295 72.082 0.213 17519
7230 1 13 . 1 1 96 96 THR H H 625 7.833 7.833 7.667 0.166 17519
7231 1 13 . 1 1 97 97 ILE N N 626 123.623 123.623 119.771 3.852 17519
7232 1 13 . 1 1 97 97 ILE HA H 626 4.817 4.817 4.962 -0.145 17519
7233 1 13 . 1 1 97 97 ILE C C 626 175.596 175.596 175.351 0.245 17519
7234 1 13 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.709 1.340 17519
7235 1 13 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.248 1.931 17519
7236 1 13 . 1 1 97 97 ILE H H 626 8.594 8.594 8.100 0.494 17519
7237 1 13 . 1 1 98 98 ARG N N 627 127.431 127.431 128.049 -0.618 17519
7238 1 13 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.718 0.217 17519
7239 1 13 . 1 1 98 98 ARG C C 627 175.183 175.183 175.564 -0.381 17519
7240 1 13 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.379 -0.611 17519
7241 1 13 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.614 1.162 17519
7242 1 13 . 1 1 98 98 ARG H H 627 8.979 8.979 9.002 -0.023 17519
7243 1 13 . 1 1 99 99 THR N N 628 118.452 118.452 120.359 -1.907 17519
7244 1 13 . 1 1 99 99 THR HA H 628 4.410 4.410 4.472 -0.062 17519
7245 1 13 . 1 1 99 99 THR C C 628 174.845 174.845 174.822 0.023 17519
7246 1 13 . 1 1 99 99 THR CA C 628 63.962 63.962 61.990 1.972 17519
7247 1 13 . 1 1 99 99 THR CB C 628 69.488 69.488 69.393 0.095 17519
7248 1 13 . 1 1 99 99 THR H H 628 8.697 8.697 8.494 0.203 17519
7249 1 13 . 1 1 100 100 GLY N N 629 114.137 114.137 109.842 4.295 17519
7250 1 13 . 1 1 100 100 GLY C C 629 171.903 171.903 173.145 -1.242 17519
7251 1 13 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.209 -0.462 17519
7252 1 13 . 1 1 100 100 GLY H H 629 8.626 8.626 7.988 0.638 17519
7253 1 13 . 1 1 101 101 ALA N N 630 120.627 120.627 124.605 -3.978 17519
7254 1 13 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.141 -0.449 17519
7255 1 13 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.951 -1.523 17519
7256 1 13 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.427 -0.356 17519
7257 1 13 . 1 1 101 101 ALA H H 630 7.980 7.980 8.168 -0.188 17519
7258 1 13 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.508 -0.383 17519
7259 1 13 . 1 1 102 102 PRO C C 631 175.721 175.721 175.870 -0.149 17519
7260 1 13 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.318 0.622 17519
7261 1 13 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.952 -1.207 17519
7262 1 13 . 1 1 103 103 SER N N 632 113.689 113.689 116.811 -3.122 17519
7263 1 13 . 1 1 103 103 SER HA H 632 4.295 4.295 4.364 -0.069 17519
7264 1 13 . 1 1 103 103 SER C C 632 173.816 173.816 174.378 -0.562 17519
7265 1 13 . 1 1 103 103 SER CA C 632 57.689 57.689 58.276 -0.587 17519
7266 1 13 . 1 1 103 103 SER CB C 632 64.133 64.133 63.118 1.015 17519
7267 1 13 . 1 1 103 103 SER H H 632 7.969 7.969 7.871 0.098 17519
7268 1 14 . 1 1 2 2 GLY C C 531 174.309 174.309 175.274 -0.965 17519
7269 1 14 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.799 -0.623 17519
7270 1 14 . 1 1 3 3 THR N N 532 113.802 113.802 112.932 0.870 17519
7271 1 14 . 1 1 3 3 THR HA H 532 4.429 4.429 4.392 0.037 17519
7272 1 14 . 1 1 3 3 THR C C 532 174.430 174.430 174.330 0.100 17519
7273 1 14 . 1 1 3 3 THR CA C 532 61.577 61.577 62.649 -1.072 17519
7274 1 14 . 1 1 3 3 THR CB C 532 69.849 69.849 70.712 -0.863 17519
7275 1 14 . 1 1 3 3 THR H H 532 8.140 8.140 8.226 -0.086 17519
7276 1 14 . 1 1 4 4 THR N N 533 115.407 115.407 114.958 0.449 17519
7277 1 14 . 1 1 4 4 THR HA H 533 4.350 4.350 4.368 -0.018 17519
7278 1 14 . 1 1 4 4 THR C C 533 173.831 173.831 172.868 0.963 17519
7279 1 14 . 1 1 4 4 THR CA C 533 60.266 60.266 62.760 -2.494 17519
7280 1 14 . 1 1 4 4 THR CB C 533 69.788 69.788 70.319 -0.531 17519
7281 1 14 . 1 1 4 4 THR H H 533 8.019 8.019 7.980 0.039 17519
7282 1 14 . 1 1 5 5 ASN N N 534 121.822 121.822 121.698 0.124 17519
7283 1 14 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.767 0.069 17519
7284 1 14 . 1 1 5 5 ASN C C 534 174.057 174.057 174.159 -0.102 17519
7285 1 14 . 1 1 5 5 ASN CA C 534 52.686 52.686 53.541 -0.855 17519
7286 1 14 . 1 1 5 5 ASN CB C 534 39.156 39.156 38.872 0.284 17519
7287 1 14 . 1 1 5 5 ASN H H 534 8.863 8.863 8.402 0.461 17519
7288 1 14 . 1 1 6 6 LYS N N 535 119.369 119.369 118.902 0.467 17519
7289 1 14 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.187 -0.002 17519
7290 1 14 . 1 1 6 6 LYS C C 535 175.924 175.924 175.424 0.500 17519
7291 1 14 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.258 -0.727 17519
7292 1 14 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.731 -0.715 17519
7293 1 14 . 1 1 6 6 LYS H H 535 8.347 8.347 8.233 0.114 17519
7294 1 14 . 1 1 7 7 VAL N N 536 123.112 123.112 118.850 4.262 17519
7295 1 14 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.521 0.052 17519
7296 1 14 . 1 1 7 7 VAL C C 536 174.602 174.602 174.716 -0.114 17519
7297 1 14 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.498 0.647 17519
7298 1 14 . 1 1 7 7 VAL CB C 536 34.773 34.773 33.229 1.544 17519
7299 1 14 . 1 1 7 7 VAL H H 536 8.828 8.828 8.960 -0.132 17519
7300 1 14 . 1 1 8 8 THR N N 537 125.255 125.255 123.935 1.320 17519
7301 1 14 . 1 1 8 8 THR HA H 537 5.396 5.396 5.185 0.211 17519
7302 1 14 . 1 1 8 8 THR C C 537 173.129 173.129 173.591 -0.462 17519
7303 1 14 . 1 1 8 8 THR CA C 537 61.611 61.611 61.981 -0.370 17519
7304 1 14 . 1 1 8 8 THR CB C 537 70.113 70.113 69.959 0.154 17519
7305 1 14 . 1 1 8 8 THR H H 537 8.914 8.914 8.482 0.432 17519
7306 1 14 . 1 1 9 9 VAL N N 538 126.696 126.696 126.954 -0.258 17519
7307 1 14 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.725 -0.191 17519
7308 1 14 . 1 1 9 9 VAL C C 538 175.565 175.565 174.390 1.175 17519
7309 1 14 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.264 0.615 17519
7310 1 14 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.414 0.765 17519
7311 1 14 . 1 1 9 9 VAL H H 538 8.585 8.585 8.972 -0.387 17519
7312 1 14 . 1 1 10 10 TYR N N 539 124.488 124.488 126.987 -2.499 17519
7313 1 14 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.310 -0.052 17519
7314 1 14 . 1 1 10 10 TYR C C 539 174.309 174.309 174.653 -0.344 17519
7315 1 14 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.702 0.564 17519
7316 1 14 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.604 -1.194 17519
7317 1 14 . 1 1 10 10 TYR H H 539 9.111 9.111 9.039 0.072 17519
7318 1 14 . 1 1 11 11 TYR N N 540 125.848 125.848 126.351 -0.503 17519
7319 1 14 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.634 -0.608 17519
7320 1 14 . 1 1 11 11 TYR C C 540 173.346 173.346 173.686 -0.340 17519
7321 1 14 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.431 2.171 17519
7322 1 14 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.624 0.334 17519
7323 1 14 . 1 1 11 11 TYR H H 540 9.580 9.580 8.974 0.606 17519
7324 1 14 . 1 1 12 12 LYS N N 541 131.489 131.489 127.573 3.916 17519
7325 1 14 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.796 -0.344 17519
7326 1 14 . 1 1 12 12 LYS C C 541 172.904 172.904 174.660 -1.756 17519
7327 1 14 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.885 0.830 17519
7328 1 14 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.932 0.165 17519
7329 1 14 . 1 1 12 12 LYS H H 541 8.406 8.406 8.525 -0.119 17519
7330 1 14 . 1 1 13 13 LYS N N 542 125.132 125.132 126.744 -1.612 17519
7331 1 14 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.645 0.293 17519
7332 1 14 . 1 1 13 13 LYS C C 542 180.078 180.078 175.886 4.192 17519
7333 1 14 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.223 -3.787 17519
7334 1 14 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.742 -1.137 17519
7335 1 14 . 1 1 13 13 LYS H H 542 7.515 7.515 7.633 -0.118 17519
7336 1 14 . 1 1 14 14 GLY N N 543 112.724 112.724 112.372 0.352 17519
7337 1 14 . 1 1 14 14 GLY C C 543 174.151 174.151 172.829 1.322 17519
7338 1 14 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.400 1.890 17519
7339 1 14 . 1 1 14 14 GLY H H 543 7.629 7.629 8.007 -0.378 17519
7340 1 14 . 1 1 15 15 PHE N N 544 121.583 121.583 119.872 1.711 17519
7341 1 14 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.876 -0.154 17519
7342 1 14 . 1 1 15 15 PHE C C 544 175.876 175.876 175.900 -0.024 17519
7343 1 14 . 1 1 15 15 PHE CA C 544 57.110 57.110 57.474 -0.364 17519
7344 1 14 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.044 -1.653 17519
7345 1 14 . 1 1 15 15 PHE H H 544 8.557 8.557 8.339 0.218 17519
7346 1 14 . 1 1 16 16 ASN N N 545 117.559 117.559 117.010 0.549 17519
7347 1 14 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.846 -0.382 17519
7348 1 14 . 1 1 16 16 ASN C C 545 176.289 176.289 175.219 1.070 17519
7349 1 14 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.902 2.518 17519
7350 1 14 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.706 -0.443 17519
7351 1 14 . 1 1 16 16 ASN H H 545 8.561 8.561 8.484 0.077 17519
7352 1 14 . 1 1 17 17 SER N N 546 112.901 112.901 114.734 -1.833 17519
7353 1 14 . 1 1 17 17 SER HA H 546 4.862 4.862 4.804 0.058 17519
7354 1 14 . 1 1 17 17 SER CA C 546 53.586 53.586 55.838 -2.252 17519
7355 1 14 . 1 1 17 17 SER CB C 546 63.708 63.708 63.694 0.014 17519
7356 1 14 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.546 0.047 17519
7357 1 14 . 1 1 18 18 PRO C C 547 175.806 175.806 175.332 0.474 17519
7358 1 14 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.148 0.373 17519
7359 1 14 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.377 0.286 17519
7360 1 14 . 1 1 19 19 TYR N N 548 122.230 122.230 120.210 2.020 17519
7361 1 14 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.618 0.259 17519
7362 1 14 . 1 1 19 19 TYR C C 548 174.660 174.660 174.313 0.347 17519
7363 1 14 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.418 -0.758 17519
7364 1 14 . 1 1 19 19 TYR CB C 548 40.462 40.462 43.103 -2.642 17519
7365 1 14 . 1 1 19 19 TYR H H 548 9.141 9.141 8.579 0.562 17519
7366 1 14 . 1 1 20 20 ILE N N 549 118.425 118.425 120.848 -2.423 17519
7367 1 14 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.924 0.148 17519
7368 1 14 . 1 1 20 20 ILE C C 549 171.422 171.422 173.355 -1.933 17519
7369 1 14 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.865 -0.436 17519
7370 1 14 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.795 -0.039 17519
7371 1 14 . 1 1 21 21 HIS N N 550 133.248 133.248 126.897 6.351 17519
7372 1 14 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.746 0.617 17519
7373 1 14 . 1 1 21 21 HIS C C 550 174.988 174.988 173.225 1.763 17519
7374 1 14 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.325 -0.410 17519
7375 1 14 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.788 1.986 17519
7376 1 14 . 1 1 21 21 HIS H H 550 8.956 8.956 8.527 0.428 17519
7377 1 14 . 1 1 22 22 TYR N N 551 121.831 121.831 122.198 -0.367 17519
7378 1 14 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.143 1.040 17519
7379 1 14 . 1 1 22 22 TYR C C 551 173.934 173.934 173.111 0.823 17519
7380 1 14 . 1 1 22 22 TYR CA C 551 56.668 56.668 55.100 1.568 17519
7381 1 14 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.420 1.298 17519
7382 1 14 . 1 1 22 22 TYR H H 551 8.204 8.204 8.008 0.196 17519
7383 1 14 . 1 1 23 23 ARG N N 552 115.619 115.619 118.511 -2.892 17519
7384 1 14 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.696 0.066 17519
7385 1 14 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.416 0.064 17519
7386 1 14 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.146 -1.108 17519
7387 1 14 . 1 1 23 23 ARG H H 552 8.674 8.674 8.823 -0.149 17519
7388 1 14 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.503 0.053 17519
7389 1 14 . 1 1 24 24 PRO C C 553 176.736 176.736 176.991 -0.255 17519
7390 1 14 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.334 0.018 17519
7391 1 14 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.715 -0.835 17519
7392 1 14 . 1 1 25 25 ALA N N 554 125.908 125.908 125.995 -0.087 17519
7393 1 14 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.855 0.167 17519
7394 1 14 . 1 1 25 25 ALA C C 554 179.217 179.217 177.504 1.713 17519
7395 1 14 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.882 -0.797 17519
7396 1 14 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.898 -0.666 17519
7397 1 14 . 1 1 25 25 ALA H H 554 8.293 8.293 8.277 0.016 17519
7398 1 14 . 1 1 26 26 GLY N N 555 111.766 111.766 104.621 7.145 17519
7399 1 14 . 1 1 26 26 GLY C C 555 174.796 174.796 173.541 1.255 17519
7400 1 14 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.640 1.001 17519
7401 1 14 . 1 1 26 26 GLY H H 555 8.602 8.602 8.028 0.574 17519
7402 1 14 . 1 1 27 27 GLY N N 556 109.512 109.512 111.161 -1.649 17519
7403 1 14 . 1 1 27 27 GLY C C 556 173.368 173.368 173.191 0.177 17519
7404 1 14 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.371 -1.165 17519
7405 1 14 . 1 1 27 27 GLY H H 556 8.494 8.494 7.805 0.689 17519
7406 1 14 . 1 1 28 28 SER N N 557 117.962 117.962 114.769 3.193 17519
7407 1 14 . 1 1 28 28 SER HA H 557 4.690 4.690 4.589 0.101 17519
7408 1 14 . 1 1 28 28 SER C C 557 173.656 173.656 172.465 1.191 17519
7409 1 14 . 1 1 28 28 SER CA C 557 57.492 57.492 57.119 0.373 17519
7410 1 14 . 1 1 28 28 SER CB C 557 64.803 64.803 64.355 0.449 17519
7411 1 14 . 1 1 28 28 SER H H 557 8.681 8.681 7.695 0.986 17519
7412 1 14 . 1 1 29 29 TRP N N 558 123.928 123.928 121.518 2.410 17519
7413 1 14 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.745 -0.293 17519
7414 1 14 . 1 1 29 29 TRP C C 558 178.891 178.891 176.813 2.078 17519
7415 1 14 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.626 1.448 17519
7416 1 14 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.557 0.149 17519
7417 1 14 . 1 1 29 29 TRP H H 558 8.392 8.392 8.651 -0.259 17519
7418 1 14 . 1 1 30 30 THR N N 559 111.067 111.067 119.963 -8.896 17519
7419 1 14 . 1 1 30 30 THR HA H 559 4.037 4.037 4.264 -0.227 17519
7420 1 14 . 1 1 30 30 THR C C 559 174.782 174.782 174.623 0.159 17519
7421 1 14 . 1 1 30 30 THR CA C 559 61.321 61.321 63.746 -2.425 17519
7422 1 14 . 1 1 30 30 THR CB C 559 70.561 70.561 69.688 0.873 17519
7423 1 14 . 1 1 30 30 THR H H 559 7.953 7.953 8.502 -0.549 17519
7424 1 14 . 1 1 31 31 ALA N N 560 123.046 123.046 124.600 -1.554 17519
7425 1 14 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.201 0.250 17519
7426 1 14 . 1 1 31 31 ALA C C 560 178.493 178.493 176.683 1.810 17519
7427 1 14 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.082 -0.168 17519
7428 1 14 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.705 -0.706 17519
7429 1 14 . 1 1 31 31 ALA H H 560 8.437 8.437 8.401 0.036 17519
7430 1 14 . 1 1 32 32 ALA N N 561 129.644 129.644 128.154 1.490 17519
7431 1 14 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.976 -0.035 17519
7432 1 14 . 1 1 32 32 ALA CA C 561 51.756 51.756 50.094 1.662 17519
7433 1 14 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.316 -2.166 17519
7434 1 14 . 1 1 32 32 ALA H H 561 8.828 8.828 8.136 0.692 17519
7435 1 14 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.284 -0.386 17519
7436 1 14 . 1 1 33 33 PRO C C 562 173.280 173.280 176.692 -3.412 17519
7437 1 14 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.048 1.391 17519
7438 1 14 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.416 0.096 17519
7439 1 14 . 1 1 34 34 GLY N N 563 112.224 112.224 109.974 2.250 17519
7440 1 14 . 1 1 34 34 GLY C C 563 173.977 173.977 174.446 -0.469 17519
7441 1 14 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.332 -2.383 17519
7442 1 14 . 1 1 34 34 GLY H H 563 8.763 8.763 8.022 0.741 17519
7443 1 14 . 1 1 35 35 VAL N N 564 123.427 123.427 118.460 4.967 17519
7444 1 14 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.506 -0.105 17519
7445 1 14 . 1 1 35 35 VAL C C 564 174.734 174.734 174.678 0.056 17519
7446 1 14 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.610 1.278 17519
7447 1 14 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.537 -0.636 17519
7448 1 14 . 1 1 36 36 LYS N N 565 128.212 128.212 124.052 4.160 17519
7449 1 14 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.806 -0.697 17519
7450 1 14 . 1 1 36 36 LYS C C 565 176.437 176.437 176.245 0.192 17519
7451 1 14 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.257 1.931 17519
7452 1 14 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.080 0.334 17519
7453 1 14 . 1 1 36 36 LYS H H 565 8.486 8.486 8.341 0.145 17519
7454 1 14 . 1 1 37 37 MET N N 566 124.964 124.964 122.442 2.522 17519
7455 1 14 . 1 1 37 37 MET HA H 566 4.228 4.228 4.231 -0.003 17519
7456 1 14 . 1 1 37 37 MET C C 566 175.652 175.652 175.873 -0.221 17519
7457 1 14 . 1 1 37 37 MET CA C 566 56.485 56.485 57.309 -0.824 17519
7458 1 14 . 1 1 37 37 MET CB C 566 35.011 35.011 32.805 2.206 17519
7459 1 14 . 1 1 37 37 MET H H 566 8.202 8.202 8.541 -0.339 17519
7460 1 14 . 1 1 38 38 GLN N N 567 121.561 121.561 121.581 -0.020 17519
7461 1 14 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.533 -0.096 17519
7462 1 14 . 1 1 38 38 GLN C C 567 175.809 175.809 175.224 0.585 17519
7463 1 14 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.217 0.605 17519
7464 1 14 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.656 -0.474 17519
7465 1 14 . 1 1 38 38 GLN H H 567 8.489 8.489 8.143 0.346 17519
7466 1 14 . 1 1 39 39 ASP N N 568 121.881 121.881 124.692 -2.811 17519
7467 1 14 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.391 0.392 17519
7468 1 14 . 1 1 39 39 ASP C C 568 176.715 176.715 175.206 1.509 17519
7469 1 14 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.392 0.775 17519
7470 1 14 . 1 1 39 39 ASP CB C 568 40.239 40.239 40.855 -0.617 17519
7471 1 14 . 1 1 39 39 ASP H H 568 8.780 8.780 8.727 0.053 17519
7472 1 14 . 1 1 40 40 ALA N N 569 122.696 122.696 126.290 -3.594 17519
7473 1 14 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.200 0.152 17519
7474 1 14 . 1 1 40 40 ALA C C 569 175.165 175.165 177.427 -2.262 17519
7475 1 14 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.519 -1.026 17519
7476 1 14 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.874 0.861 17519
7477 1 14 . 1 1 40 40 ALA H H 569 8.463 8.463 8.315 0.148 17519
7478 1 14 . 1 1 41 41 GLU N N 570 120.083 120.083 117.842 2.241 17519
7479 1 14 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.504 -0.153 17519
7480 1 14 . 1 1 41 41 GLU C C 570 174.683 174.683 177.043 -2.360 17519
7481 1 14 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.279 1.246 17519
7482 1 14 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.530 -3.299 17519
7483 1 14 . 1 1 41 41 GLU H H 570 10.398 10.398 8.609 1.789 17519
7484 1 14 . 1 1 42 42 ILE N N 571 119.363 119.363 120.731 -1.368 17519
7485 1 14 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.029 0.350 17519
7486 1 14 . 1 1 42 42 ILE C C 571 174.913 174.913 176.353 -1.440 17519
7487 1 14 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.166 -3.346 17519
7488 1 14 . 1 1 42 42 ILE CB C 571 39.586 39.586 37.752 1.834 17519
7489 1 14 . 1 1 42 42 ILE H H 571 6.526 6.526 7.807 -1.281 17519
7490 1 14 . 1 1 43 43 SER N N 572 121.258 121.258 114.893 6.365 17519
7491 1 14 . 1 1 43 43 SER HA H 572 4.352 4.352 4.444 -0.092 17519
7492 1 14 . 1 1 43 43 SER C C 572 175.617 175.617 174.274 1.343 17519
7493 1 14 . 1 1 43 43 SER CA C 572 60.125 60.125 58.552 1.573 17519
7494 1 14 . 1 1 43 43 SER CB C 572 63.063 63.063 62.465 0.598 17519
7495 1 14 . 1 1 43 43 SER H H 572 8.618 8.618 7.943 0.675 17519
7496 1 14 . 1 1 44 44 GLY N N 573 111.836 111.836 111.432 0.404 17519
7497 1 14 . 1 1 44 44 GLY C C 573 173.828 173.828 173.361 0.467 17519
7498 1 14 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.228 -0.373 17519
7499 1 14 . 1 1 44 44 GLY H H 573 8.691 8.691 8.820 -0.129 17519
7500 1 14 . 1 1 45 45 TYR N N 574 116.297 116.297 120.000 -3.703 17519
7501 1 14 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.675 1.086 17519
7502 1 14 . 1 1 45 45 TYR C C 574 175.520 175.520 174.396 1.124 17519
7503 1 14 . 1 1 45 45 TYR CA C 574 56.519 56.519 56.448 0.071 17519
7504 1 14 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.287 1.630 17519
7505 1 14 . 1 1 45 45 TYR H H 574 7.854 7.854 7.602 0.252 17519
7506 1 14 . 1 1 46 46 ALA N N 575 126.117 126.117 123.401 2.716 17519
7507 1 14 . 1 1 46 46 ALA HA H 575 5.407 5.407 5.130 0.277 17519
7508 1 14 . 1 1 46 46 ALA C C 575 176.096 176.096 175.022 1.074 17519
7509 1 14 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.198 0.174 17519
7510 1 14 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.529 2.837 17519
7511 1 14 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.336 0.374 17519
7512 1 14 . 1 1 47 47 LYS C C 576 173.794 173.794 174.834 -1.040 17519
7513 1 14 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.213 0.177 17519
7514 1 14 . 1 1 47 47 LYS CB C 576 36.941 36.941 35.887 1.054 17519
7515 1 14 . 1 1 48 48 ILE N N 577 120.000 120.000 121.232 -1.232 17519
7516 1 14 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.630 -0.185 17519
7517 1 14 . 1 1 48 48 ILE C C 577 171.242 171.242 173.391 -2.149 17519
7518 1 14 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.899 0.481 17519
7519 1 14 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.295 0.021 17519
7520 1 14 . 1 1 48 48 ILE H H 577 8.041 8.041 8.975 -0.934 17519
7521 1 14 . 1 1 49 49 THR N N 578 122.357 122.357 121.152 1.205 17519
7522 1 14 . 1 1 49 49 THR HA H 578 5.344 5.344 5.502 -0.158 17519
7523 1 14 . 1 1 49 49 THR C C 578 173.601 173.601 173.976 -0.375 17519
7524 1 14 . 1 1 49 49 THR CA C 578 61.849 61.849 60.687 1.162 17519
7525 1 14 . 1 1 49 49 THR CB C 578 70.593 70.593 71.079 -0.486 17519
7526 1 14 . 1 1 49 49 THR H H 578 8.043 8.043 8.286 -0.243 17519
7527 1 14 . 1 1 50 50 VAL N N 579 126.489 126.489 124.422 2.067 17519
7528 1 14 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.138 0.002 17519
7529 1 14 . 1 1 50 50 VAL C C 579 174.015 174.015 174.337 -0.322 17519
7530 1 14 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.470 -0.218 17519
7531 1 14 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.439 -0.286 17519
7532 1 14 . 1 1 50 50 VAL H H 579 9.349 9.349 8.512 0.837 17519
7533 1 14 . 1 1 51 51 ASP N N 580 126.891 126.891 128.243 -1.352 17519
7534 1 14 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.175 -0.308 17519
7535 1 14 . 1 1 51 51 ASP C C 580 176.752 176.752 175.957 0.795 17519
7536 1 14 . 1 1 51 51 ASP CA C 580 53.526 53.526 54.654 -1.128 17519
7537 1 14 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.036 -0.220 17519
7538 1 14 . 1 1 51 51 ASP H H 580 8.616 8.616 8.548 0.068 17519
7539 1 14 . 1 1 52 52 ILE N N 581 118.893 118.893 116.897 1.996 17519
7540 1 14 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.560 0.028 17519
7541 1 14 . 1 1 52 52 ILE C C 581 176.717 176.717 175.788 0.929 17519
7542 1 14 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.074 0.027 17519
7543 1 14 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.791 -0.736 17519
7544 1 14 . 1 1 52 52 ILE H H 581 8.627 8.627 8.954 -0.327 17519
7545 1 14 . 1 1 53 53 GLY N N 582 114.728 114.728 112.650 2.078 17519
7546 1 14 . 1 1 53 53 GLY C C 582 174.442 174.442 174.604 -0.162 17519
7547 1 14 . 1 1 53 53 GLY CA C 582 47.605 47.605 45.796 1.809 17519
7548 1 14 . 1 1 53 53 GLY H H 582 9.075 9.075 8.256 0.819 17519
7549 1 14 . 1 1 54 54 SER N N 583 120.404 120.404 115.951 4.453 17519
7550 1 14 . 1 1 54 54 SER HA H 583 4.549 4.549 4.365 0.184 17519
7551 1 14 . 1 1 54 54 SER C C 583 175.149 175.149 172.665 2.484 17519
7552 1 14 . 1 1 54 54 SER CA C 583 58.133 58.133 58.854 -0.721 17519
7553 1 14 . 1 1 54 54 SER CB C 583 63.647 63.647 63.378 0.269 17519
7554 1 14 . 1 1 54 54 SER H H 583 8.812 8.812 8.496 0.316 17519
7555 1 14 . 1 1 55 55 ALA N N 584 125.527 125.527 122.184 3.343 17519
7556 1 14 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.812 -0.395 17519
7557 1 14 . 1 1 55 55 ALA C C 584 175.867 175.867 175.090 0.777 17519
7558 1 14 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.119 0.248 17519
7559 1 14 . 1 1 55 55 ALA CB C 584 20.064 20.064 21.257 -1.193 17519
7560 1 14 . 1 1 55 55 ALA H H 584 7.820 7.820 7.409 0.411 17519
7561 1 14 . 1 1 56 56 SER N N 585 109.786 109.786 113.675 -3.889 17519
7562 1 14 . 1 1 56 56 SER HA H 585 4.564 4.564 4.536 0.028 17519
7563 1 14 . 1 1 56 56 SER C C 585 173.978 173.978 174.135 -0.157 17519
7564 1 14 . 1 1 56 56 SER CA C 585 58.220 58.220 58.211 0.010 17519
7565 1 14 . 1 1 56 56 SER CB C 585 64.962 64.962 64.038 0.924 17519
7566 1 14 . 1 1 56 56 SER H H 585 8.785 8.785 8.496 0.289 17519
7567 1 14 . 1 1 57 57 GLN N N 586 116.690 116.690 119.452 -2.762 17519
7568 1 14 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.617 0.531 17519
7569 1 14 . 1 1 57 57 GLN C C 586 172.923 172.923 172.921 0.002 17519
7570 1 14 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.376 -1.380 17519
7571 1 14 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.614 1.926 17519
7572 1 14 . 1 1 57 57 GLN H H 586 7.144 7.144 7.623 -0.479 17519
7573 1 14 . 1 1 58 58 LEU N N 587 123.011 123.011 122.955 0.056 17519
7574 1 14 . 1 1 58 58 LEU HA H 587 4.668 4.668 4.967 -0.299 17519
7575 1 14 . 1 1 58 58 LEU C C 587 173.426 173.426 174.364 -0.938 17519
7576 1 14 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.711 -0.333 17519
7577 1 14 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.286 1.372 17519
7578 1 14 . 1 1 58 58 LEU H H 587 9.226 9.226 8.762 0.464 17519
7579 1 14 . 1 1 59 59 GLU N N 588 129.185 129.185 126.090 3.095 17519
7580 1 14 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.390 -0.081 17519
7581 1 14 . 1 1 59 59 GLU C C 588 175.409 175.409 174.866 0.543 17519
7582 1 14 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.929 0.721 17519
7583 1 14 . 1 1 59 59 GLU CB C 588 32.048 32.048 33.370 -1.322 17519
7584 1 14 . 1 1 59 59 GLU H H 588 8.830 8.830 8.970 -0.140 17519
7585 1 14 . 1 1 60 60 ALA N N 589 126.011 126.011 127.102 -1.091 17519
7586 1 14 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.383 0.520 17519
7587 1 14 . 1 1 60 60 ALA C C 589 174.861 174.861 175.198 -0.337 17519
7588 1 14 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.386 -0.239 17519
7589 1 14 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.385 1.472 17519
7590 1 14 . 1 1 60 60 ALA H H 589 9.748 9.748 8.329 1.419 17519
7591 1 14 . 1 1 61 61 ALA N N 590 120.783 120.783 123.011 -2.228 17519
7592 1 14 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.007 -0.190 17519
7593 1 14 . 1 1 61 61 ALA C C 590 174.731 174.731 175.063 -0.332 17519
7594 1 14 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.680 0.448 17519
7595 1 14 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.554 0.546 17519
7596 1 14 . 1 1 61 61 ALA H H 590 9.392 9.392 8.812 0.580 17519
7597 1 14 . 1 1 62 62 PHE N N 591 116.572 116.572 118.585 -2.013 17519
7598 1 14 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.816 1.191 17519
7599 1 14 . 1 1 62 62 PHE C C 591 175.059 175.059 174.411 0.648 17519
7600 1 14 . 1 1 62 62 PHE CA C 591 56.456 56.456 55.636 0.820 17519
7601 1 14 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.991 1.332 17519
7602 1 14 . 1 1 62 62 PHE H H 591 8.394 8.394 8.612 -0.218 17519
7603 1 14 . 1 1 63 63 ASN N N 592 116.166 116.166 120.723 -4.557 17519
7604 1 14 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.266 -0.102 17519
7605 1 14 . 1 1 63 63 ASN C C 592 172.073 172.073 175.293 -3.220 17519
7606 1 14 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.609 2.118 17519
7607 1 14 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.794 0.438 17519
7608 1 14 . 1 1 63 63 ASN H H 592 9.117 9.117 8.749 0.368 17519
7609 1 14 . 1 1 64 64 ASP N N 593 118.039 118.039 122.493 -4.454 17519
7610 1 14 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.005 0.214 17519
7611 1 14 . 1 1 64 64 ASP C C 593 177.248 177.248 177.204 0.044 17519
7612 1 14 . 1 1 64 64 ASP CA C 593 52.251 52.251 56.694 -4.443 17519
7613 1 14 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.797 -0.075 17519
7614 1 14 . 1 1 64 64 ASP H H 593 7.558 7.558 8.673 -1.115 17519
7615 1 14 . 1 1 65 65 GLY N N 594 110.622 110.622 105.923 4.699 17519
7616 1 14 . 1 1 65 65 GLY C C 594 173.126 173.126 173.502 -0.376 17519
7617 1 14 . 1 1 65 65 GLY CA C 594 45.529 45.529 44.866 0.663 17519
7618 1 14 . 1 1 65 65 GLY H H 594 8.742 8.742 7.733 1.009 17519
7619 1 14 . 1 1 66 66 ASN N N 595 120.863 120.863 117.399 3.464 17519
7620 1 14 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.652 0.105 17519
7621 1 14 . 1 1 66 66 ASN C C 595 174.434 174.434 173.937 0.497 17519
7622 1 14 . 1 1 66 66 ASN CA C 595 52.167 52.167 53.971 -1.804 17519
7623 1 14 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.371 1.017 17519
7624 1 14 . 1 1 66 66 ASN H H 595 8.424 8.424 7.853 0.571 17519
7625 1 14 . 1 1 67 67 ASN N N 596 113.308 113.308 118.293 -4.985 17519
7626 1 14 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.695 -0.465 17519
7627 1 14 . 1 1 67 67 ASN C C 596 173.796 173.796 173.557 0.239 17519
7628 1 14 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.184 0.241 17519
7629 1 14 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.522 -1.369 17519
7630 1 14 . 1 1 67 67 ASN H H 596 8.744 8.744 9.005 -0.261 17519
7631 1 14 . 1 1 68 68 ASN N N 597 118.418 118.418 119.042 -0.624 17519
7632 1 14 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.118 0.000 17519
7633 1 14 . 1 1 68 68 ASN C C 597 173.474 173.474 172.995 0.479 17519
7634 1 14 . 1 1 68 68 ASN CA C 597 53.138 53.138 53.019 0.119 17519
7635 1 14 . 1 1 68 68 ASN CB C 597 38.622 38.622 40.158 -1.536 17519
7636 1 14 . 1 1 68 68 ASN H H 597 8.032 8.032 8.802 -0.770 17519
7637 1 14 . 1 1 69 69 TRP N N 598 120.990 120.990 123.782 -2.792 17519
7638 1 14 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.299 -0.443 17519
7639 1 14 . 1 1 69 69 TRP C C 598 176.220 176.220 176.118 0.102 17519
7640 1 14 . 1 1 69 69 TRP CA C 598 57.233 57.233 55.900 1.333 17519
7641 1 14 . 1 1 69 69 TRP CB C 598 32.219 32.219 31.655 0.564 17519
7642 1 14 . 1 1 69 69 TRP H H 598 8.842 8.842 8.787 0.055 17519
7643 1 14 . 1 1 70 70 ASP N N 599 122.210 122.210 122.179 0.031 17519
7644 1 14 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.946 0.301 17519
7645 1 14 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.938 -0.692 17519
7646 1 14 . 1 1 70 70 ASP CB C 599 41.898 41.898 42.266 -0.367 17519
7647 1 14 . 1 1 70 70 ASP H H 599 9.831 9.831 9.013 0.818 17519
7648 1 14 . 1 1 71 71 SER N N 600 117.252 117.252 117.624 -0.372 17519
7649 1 14 . 1 1 71 71 SER HA H 600 5.141 5.141 4.500 0.641 17519
7650 1 14 . 1 1 71 71 SER CA C 600 55.907 55.907 59.047 -3.140 17519
7651 1 14 . 1 1 71 71 SER H H 600 9.328 9.328 8.598 0.730 17519
7652 1 14 . 1 1 72 72 ASN N N 601 123.197 123.197 122.116 1.081 17519
7653 1 14 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.435 -0.006 17519
7654 1 14 . 1 1 72 72 ASN C C 601 176.895 176.895 175.315 1.580 17519
7655 1 14 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.674 -1.581 17519
7656 1 14 . 1 1 72 72 ASN CB C 601 39.150 39.150 37.814 1.336 17519
7657 1 14 . 1 1 72 72 ASN H H 601 8.715 8.715 9.116 -0.401 17519
7658 1 14 . 1 1 73 73 ASN N N 602 116.099 116.099 113.875 2.224 17519
7659 1 14 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.399 0.045 17519
7660 1 14 . 1 1 73 73 ASN C C 602 176.304 176.304 174.255 2.049 17519
7661 1 14 . 1 1 73 73 ASN CA C 602 54.465 54.465 56.009 -1.544 17519
7662 1 14 . 1 1 73 73 ASN CB C 602 37.277 37.277 37.926 -0.649 17519
7663 1 14 . 1 1 73 73 ASN H H 602 9.184 9.184 8.881 0.303 17519
7664 1 14 . 1 1 74 74 THR N N 603 110.445 110.445 114.400 -3.955 17519
7665 1 14 . 1 1 74 74 THR HA H 603 3.835 3.835 4.318 -0.483 17519
7666 1 14 . 1 1 74 74 THR C C 603 173.186 173.186 172.857 0.329 17519
7667 1 14 . 1 1 74 74 THR CA C 603 65.006 65.006 63.197 1.809 17519
7668 1 14 . 1 1 74 74 THR CB C 603 69.653 69.653 68.623 1.030 17519
7669 1 14 . 1 1 74 74 THR H H 603 7.829 7.829 8.207 -0.378 17519
7670 1 14 . 1 1 75 75 LYS N N 604 121.909 121.909 122.360 -0.451 17519
7671 1 14 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.492 -0.355 17519
7672 1 14 . 1 1 75 75 LYS C C 604 177.262 177.262 174.688 2.574 17519
7673 1 14 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.886 1.881 17519
7674 1 14 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.829 -1.453 17519
7675 1 14 . 1 1 75 75 LYS H H 604 7.714 7.714 8.030 -0.316 17519
7676 1 14 . 1 1 76 76 ASN N N 605 108.823 108.823 117.660 -8.837 17519
7677 1 14 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.605 -0.665 17519
7678 1 14 . 1 1 76 76 ASN C C 605 171.742 171.742 174.714 -2.972 17519
7679 1 14 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.312 -0.153 17519
7680 1 14 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.796 0.231 17519
7681 1 14 . 1 1 76 76 ASN H H 605 8.274 8.274 8.137 0.137 17519
7682 1 14 . 1 1 77 77 TYR N N 606 117.628 117.628 116.579 1.049 17519
7683 1 14 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.535 0.292 17519
7684 1 14 . 1 1 77 77 TYR C C 606 174.468 174.468 174.271 0.197 17519
7685 1 14 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.345 0.224 17519
7686 1 14 . 1 1 77 77 TYR CB C 606 41.555 41.555 42.129 -0.574 17519
7687 1 14 . 1 1 77 77 TYR H H 606 9.055 9.055 8.323 0.732 17519
7688 1 14 . 1 1 78 78 LEU N N 607 121.811 121.811 121.360 0.451 17519
7689 1 14 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.225 1.078 17519
7690 1 14 . 1 1 78 78 LEU C C 607 175.673 175.673 175.504 0.169 17519
7691 1 14 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.244 -1.000 17519
7692 1 14 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.954 1.017 17519
7693 1 14 . 1 1 78 78 LEU H H 607 7.983 7.983 8.279 -0.296 17519
7694 1 14 . 1 1 79 79 PHE N N 608 121.390 121.390 120.958 0.432 17519
7695 1 14 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.887 -0.060 17519
7696 1 14 . 1 1 79 79 PHE C C 608 175.786 175.786 175.569 0.217 17519
7697 1 14 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.113 0.738 17519
7698 1 14 . 1 1 79 79 PHE CB C 608 42.563 42.563 41.052 1.511 17519
7699 1 14 . 1 1 79 79 PHE H H 608 9.240 9.240 8.841 0.399 17519
7700 1 14 . 1 1 80 80 SER N N 609 117.589 117.589 118.276 -0.687 17519
7701 1 14 . 1 1 80 80 SER HA H 609 4.979 4.979 4.713 0.266 17519
7702 1 14 . 1 1 80 80 SER C C 609 173.269 173.269 174.949 -1.680 17519
7703 1 14 . 1 1 80 80 SER CA C 609 57.811 57.811 57.646 0.165 17519
7704 1 14 . 1 1 80 80 SER CB C 609 64.856 64.856 64.260 0.597 17519
7705 1 14 . 1 1 80 80 SER H H 609 8.948 8.948 8.617 0.331 17519
7706 1 14 . 1 1 81 81 THR N N 610 112.845 112.845 112.103 0.742 17519
7707 1 14 . 1 1 81 81 THR HA H 610 3.871 3.871 3.987 -0.116 17519
7708 1 14 . 1 1 81 81 THR C C 610 174.439 174.439 175.367 -0.928 17519
7709 1 14 . 1 1 81 81 THR CA C 610 64.353 64.353 63.315 1.038 17519
7710 1 14 . 1 1 81 81 THR CB C 610 69.421 69.421 69.236 0.185 17519
7711 1 14 . 1 1 82 82 GLY N N 611 112.157 112.157 111.267 0.890 17519
7712 1 14 . 1 1 82 82 GLY C C 611 174.430 174.430 172.632 1.798 17519
7713 1 14 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.699 -0.833 17519
7714 1 14 . 1 1 82 82 GLY H H 611 8.468 8.468 8.068 0.400 17519
7715 1 14 . 1 1 83 83 THR N N 612 120.992 120.992 120.692 0.300 17519
7716 1 14 . 1 1 83 83 THR HA H 612 5.483 5.483 5.060 0.423 17519
7717 1 14 . 1 1 83 83 THR C C 612 174.819 174.819 174.037 0.782 17519
7718 1 14 . 1 1 83 83 THR CA C 612 62.563 62.563 61.914 0.649 17519
7719 1 14 . 1 1 83 83 THR CB C 612 70.093 70.093 70.584 -0.491 17519
7720 1 14 . 1 1 83 83 THR H H 612 8.736 8.736 8.283 0.453 17519
7721 1 14 . 1 1 84 84 SER N N 613 122.602 122.602 121.857 0.745 17519
7722 1 14 . 1 1 84 84 SER HA H 613 5.489 5.489 4.795 0.694 17519
7723 1 14 . 1 1 84 84 SER C C 613 172.064 172.064 172.921 -0.857 17519
7724 1 14 . 1 1 84 84 SER CA C 613 58.813 58.813 57.813 1.000 17519
7725 1 14 . 1 1 84 84 SER CB C 613 67.694 67.694 67.177 0.517 17519
7726 1 14 . 1 1 84 84 SER H H 613 9.051 9.051 9.161 -0.110 17519
7727 1 14 . 1 1 85 85 THR N N 614 117.759 117.759 117.785 -0.026 17519
7728 1 14 . 1 1 85 85 THR HA H 614 5.256 5.256 5.181 0.075 17519
7729 1 14 . 1 1 85 85 THR C C 614 173.632 173.632 172.979 0.653 17519
7730 1 14 . 1 1 85 85 THR CA C 614 62.724 62.724 61.782 0.942 17519
7731 1 14 . 1 1 85 85 THR CB C 614 70.908 70.908 71.723 -0.815 17519
7732 1 14 . 1 1 85 85 THR H H 614 9.523 9.523 8.621 0.902 17519
7733 1 14 . 1 1 86 86 TYR N N 615 131.519 131.519 128.106 3.413 17519
7734 1 14 . 1 1 86 86 TYR HA H 615 5.213 5.213 5.111 0.102 17519
7735 1 14 . 1 1 86 86 TYR C C 615 172.999 172.999 174.191 -1.192 17519
7736 1 14 . 1 1 86 86 TYR CA C 615 57.163 57.163 55.589 1.574 17519
7737 1 14 . 1 1 86 86 TYR CB C 615 41.569 41.569 41.254 0.315 17519
7738 1 14 . 1 1 86 86 TYR H H 615 10.029 10.029 9.621 0.408 17519
7739 1 14 . 1 1 87 87 THR N N 616 124.674 124.674 124.365 0.309 17519
7740 1 14 . 1 1 87 87 THR HA H 616 4.370 4.370 5.005 -0.635 17519
7741 1 14 . 1 1 87 87 THR CA C 616 58.725 58.725 59.461 -0.736 17519
7742 1 14 . 1 1 87 87 THR CB C 616 70.070 70.070 70.292 -0.222 17519
7743 1 14 . 1 1 87 87 THR H H 616 8.027 8.027 9.420 -1.393 17519
7744 1 14 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.566 -0.474 17519
7745 1 14 . 1 1 88 88 PRO C C 617 177.011 177.011 176.486 0.525 17519
7746 1 14 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.319 0.569 17519
7747 1 14 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.527 -0.203 17519
7748 1 14 . 1 1 89 89 GLY N N 618 108.881 108.881 108.454 0.427 17519
7749 1 14 . 1 1 89 89 GLY C C 618 173.673 173.673 174.936 -1.263 17519
7750 1 14 . 1 1 89 89 GLY CA C 618 43.996 43.996 43.879 0.117 17519
7751 1 14 . 1 1 89 89 GLY H H 618 8.261 8.261 7.990 0.271 17519
7752 1 14 . 1 1 90 90 SER N N 619 114.743 114.743 115.372 -0.629 17519
7753 1 14 . 1 1 90 90 SER HA H 619 4.537 4.537 4.311 0.226 17519
7754 1 14 . 1 1 90 90 SER C C 619 175.706 175.706 174.429 1.277 17519
7755 1 14 . 1 1 90 90 SER CA C 619 57.617 57.617 60.020 -2.403 17519
7756 1 14 . 1 1 90 90 SER CB C 619 64.294 64.294 63.405 0.889 17519
7757 1 14 . 1 1 90 90 SER H H 619 8.380 8.380 8.405 -0.025 17519
7758 1 14 . 1 1 91 91 ASN N N 620 121.360 121.360 118.820 2.540 17519
7759 1 14 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.775 -0.363 17519
7760 1 14 . 1 1 91 91 ASN C C 620 175.289 175.289 174.984 0.305 17519
7761 1 14 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.712 0.641 17519
7762 1 14 . 1 1 91 91 ASN CB C 620 37.733 37.733 39.915 -2.182 17519
7763 1 14 . 1 1 91 91 ASN H H 620 9.296 9.296 7.709 1.587 17519
7764 1 14 . 1 1 92 92 GLY N N 621 105.883 105.883 110.351 -4.468 17519
7765 1 14 . 1 1 92 92 GLY C C 621 174.510 174.510 173.375 1.135 17519
7766 1 14 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.300 -1.071 17519
7767 1 14 . 1 1 92 92 GLY H H 621 8.528 8.528 8.977 -0.449 17519
7768 1 14 . 1 1 93 93 ALA N N 622 123.803 123.803 122.060 1.743 17519
7769 1 14 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.622 -0.206 17519
7770 1 14 . 1 1 93 93 ALA C C 622 176.820 176.820 176.164 0.656 17519
7771 1 14 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.422 1.429 17519
7772 1 14 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.232 -0.428 17519
7773 1 14 . 1 1 93 93 ALA H H 622 7.486 7.486 7.818 -0.332 17519
7774 1 14 . 1 1 94 94 ALA N N 623 123.284 123.284 127.628 -4.344 17519
7775 1 14 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.318 0.272 17519
7776 1 14 . 1 1 94 94 ALA C C 623 178.770 178.770 177.893 0.877 17519
7777 1 14 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.861 -0.234 17519
7778 1 14 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.697 0.390 17519
7779 1 14 . 1 1 94 94 ALA H H 623 8.397 8.397 8.651 -0.254 17519
7780 1 14 . 1 1 95 95 GLY N N 624 108.970 108.970 109.440 -0.470 17519
7781 1 14 . 1 1 95 95 GLY C C 624 173.156 173.156 173.469 -0.313 17519
7782 1 14 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.758 0.099 17519
7783 1 14 . 1 1 95 95 GLY H H 624 8.438 8.438 8.791 -0.353 17519
7784 1 14 . 1 1 96 96 THR N N 625 108.929 108.929 110.831 -1.902 17519
7785 1 14 . 1 1 96 96 THR HA H 625 4.603 4.603 4.695 -0.092 17519
7786 1 14 . 1 1 96 96 THR C C 625 172.765 172.765 173.032 -0.267 17519
7787 1 14 . 1 1 96 96 THR CA C 625 60.350 60.350 60.655 -0.305 17519
7788 1 14 . 1 1 96 96 THR CB C 625 72.295 72.295 72.287 0.008 17519
7789 1 14 . 1 1 96 96 THR H H 625 7.833 7.833 8.617 -0.784 17519
7790 1 14 . 1 1 97 97 ILE N N 626 123.623 123.623 118.770 4.853 17519
7791 1 14 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.125 -0.308 17519
7792 1 14 . 1 1 97 97 ILE C C 626 175.596 175.596 175.164 0.432 17519
7793 1 14 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.521 1.528 17519
7794 1 14 . 1 1 97 97 ILE CB C 626 41.178 41.178 40.273 0.905 17519
7795 1 14 . 1 1 97 97 ILE H H 626 8.594 8.594 8.106 0.488 17519
7796 1 14 . 1 1 98 98 ARG N N 627 127.431 127.431 126.972 0.459 17519
7797 1 14 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.736 0.199 17519
7798 1 14 . 1 1 98 98 ARG C C 627 175.183 175.183 175.169 0.014 17519
7799 1 14 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.586 -0.818 17519
7800 1 14 . 1 1 98 98 ARG CB C 627 33.776 33.776 33.058 0.718 17519
7801 1 14 . 1 1 98 98 ARG H H 627 8.979 8.979 8.951 0.028 17519
7802 1 14 . 1 1 99 99 THR N N 628 118.452 118.452 120.026 -1.574 17519
7803 1 14 . 1 1 99 99 THR HA H 628 4.410 4.410 4.406 0.004 17519
7804 1 14 . 1 1 99 99 THR C C 628 174.845 174.845 174.932 -0.087 17519
7805 1 14 . 1 1 99 99 THR CA C 628 63.962 63.962 62.474 1.488 17519
7806 1 14 . 1 1 99 99 THR CB C 628 69.488 69.488 69.368 0.120 17519
7807 1 14 . 1 1 99 99 THR H H 628 8.697 8.697 8.475 0.222 17519
7808 1 14 . 1 1 100 100 GLY N N 629 114.137 114.137 109.042 5.095 17519
7809 1 14 . 1 1 100 100 GLY C C 629 171.903 171.903 172.895 -0.992 17519
7810 1 14 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.372 -0.625 17519
7811 1 14 . 1 1 100 100 GLY H H 629 8.626 8.626 8.121 0.505 17519
7812 1 14 . 1 1 101 101 ALA N N 630 120.627 120.627 124.607 -3.980 17519
7813 1 14 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.158 -0.466 17519
7814 1 14 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.906 -1.478 17519
7815 1 14 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.734 -0.663 17519
7816 1 14 . 1 1 101 101 ALA H H 630 7.980 7.980 8.278 -0.298 17519
7817 1 14 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.427 -0.302 17519
7818 1 14 . 1 1 102 102 PRO C C 631 175.721 175.721 177.275 -1.554 17519
7819 1 14 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.349 0.591 17519
7820 1 14 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.693 -0.948 17519
7821 1 14 . 1 1 103 103 SER N N 632 113.689 113.689 111.819 1.870 17519
7822 1 14 . 1 1 103 103 SER HA H 632 4.295 4.295 4.044 0.251 17519
7823 1 14 . 1 1 103 103 SER C C 632 173.816 173.816 173.663 0.153 17519
7824 1 14 . 1 1 103 103 SER CA C 632 57.689 57.689 59.450 -1.761 17519
7825 1 14 . 1 1 103 103 SER CB C 632 64.133 64.133 62.116 2.017 17519
7826 1 14 . 1 1 103 103 SER H H 632 7.969 7.969 8.679 -0.710 17519
7827 1 15 . 1 1 2 2 GLY C C 531 174.309 174.309 173.495 0.814 17519
7828 1 15 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.764 -0.588 17519
7829 1 15 . 1 1 3 3 THR N N 532 113.802 113.802 115.626 -1.824 17519
7830 1 15 . 1 1 3 3 THR HA H 532 4.429 4.429 4.423 0.006 17519
7831 1 15 . 1 1 3 3 THR C C 532 174.430 174.430 172.748 1.682 17519
7832 1 15 . 1 1 3 3 THR CA C 532 61.577 61.577 62.391 -0.814 17519
7833 1 15 . 1 1 3 3 THR CB C 532 69.849 69.849 70.634 -0.785 17519
7834 1 15 . 1 1 3 3 THR H H 532 8.140 8.140 7.759 0.381 17519
7835 1 15 . 1 1 4 4 THR N N 533 115.407 115.407 115.767 -0.360 17519
7836 1 15 . 1 1 4 4 THR HA H 533 4.350 4.350 4.606 -0.256 17519
7837 1 15 . 1 1 4 4 THR C C 533 173.831 173.831 172.652 1.179 17519
7838 1 15 . 1 1 4 4 THR CA C 533 60.266 60.266 60.945 -0.679 17519
7839 1 15 . 1 1 4 4 THR CB C 533 69.788 69.788 70.087 -0.299 17519
7840 1 15 . 1 1 4 4 THR H H 533 8.019 8.019 8.136 -0.117 17519
7841 1 15 . 1 1 5 5 ASN N N 534 121.822 121.822 121.199 0.623 17519
7842 1 15 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.042 -0.206 17519
7843 1 15 . 1 1 5 5 ASN C C 534 174.057 174.057 173.601 0.456 17519
7844 1 15 . 1 1 5 5 ASN CA C 534 52.686 52.686 51.902 0.784 17519
7845 1 15 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.602 -1.446 17519
7846 1 15 . 1 1 5 5 ASN H H 534 8.863 8.863 8.647 0.216 17519
7847 1 15 . 1 1 6 6 LYS N N 535 119.369 119.369 118.601 0.768 17519
7848 1 15 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.987 0.198 17519
7849 1 15 . 1 1 6 6 LYS C C 535 175.924 175.924 174.887 1.037 17519
7850 1 15 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.271 -0.740 17519
7851 1 15 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.205 -0.189 17519
7852 1 15 . 1 1 6 6 LYS H H 535 8.347 8.347 8.309 0.038 17519
7853 1 15 . 1 1 7 7 VAL N N 536 123.112 123.112 119.231 3.881 17519
7854 1 15 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.515 0.058 17519
7855 1 15 . 1 1 7 7 VAL C C 536 174.602 174.602 174.579 0.023 17519
7856 1 15 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.353 0.792 17519
7857 1 15 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.020 2.753 17519
7858 1 15 . 1 1 7 7 VAL H H 536 8.828 8.828 9.040 -0.212 17519
7859 1 15 . 1 1 8 8 THR N N 537 125.255 125.255 124.440 0.815 17519
7860 1 15 . 1 1 8 8 THR HA H 537 5.396 5.396 5.370 0.026 17519
7861 1 15 . 1 1 8 8 THR C C 537 173.129 173.129 173.701 -0.572 17519
7862 1 15 . 1 1 8 8 THR CA C 537 61.611 61.611 61.601 0.010 17519
7863 1 15 . 1 1 8 8 THR CB C 537 70.113 70.113 69.731 0.382 17519
7864 1 15 . 1 1 8 8 THR H H 537 8.914 8.914 8.070 0.844 17519
7865 1 15 . 1 1 9 9 VAL N N 538 126.696 126.696 126.715 -0.019 17519
7866 1 15 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.849 -0.315 17519
7867 1 15 . 1 1 9 9 VAL C C 538 175.565 175.565 174.643 0.922 17519
7868 1 15 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.378 0.501 17519
7869 1 15 . 1 1 9 9 VAL CB C 538 35.179 35.179 33.787 1.392 17519
7870 1 15 . 1 1 9 9 VAL H H 538 8.585 8.585 8.995 -0.410 17519
7871 1 15 . 1 1 10 10 TYR N N 539 124.488 124.488 128.057 -3.569 17519
7872 1 15 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.225 0.033 17519
7873 1 15 . 1 1 10 10 TYR C C 539 174.309 174.309 175.022 -0.713 17519
7874 1 15 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.947 0.319 17519
7875 1 15 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.618 -0.208 17519
7876 1 15 . 1 1 10 10 TYR H H 539 9.111 9.111 9.233 -0.122 17519
7877 1 15 . 1 1 11 11 TYR N N 540 125.848 125.848 125.808 0.040 17519
7878 1 15 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.232 -0.206 17519
7879 1 15 . 1 1 11 11 TYR C C 540 173.346 173.346 173.493 -0.147 17519
7880 1 15 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.243 2.359 17519
7881 1 15 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.475 0.483 17519
7882 1 15 . 1 1 11 11 TYR H H 540 9.580 9.580 9.384 0.196 17519
7883 1 15 . 1 1 12 12 LYS N N 541 131.489 131.489 126.782 4.707 17519
7884 1 15 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.345 0.107 17519
7885 1 15 . 1 1 12 12 LYS C C 541 172.904 172.904 174.631 -1.727 17519
7886 1 15 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.468 1.248 17519
7887 1 15 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.363 -0.266 17519
7888 1 15 . 1 1 12 12 LYS H H 541 8.406 8.406 8.436 -0.030 17519
7889 1 15 . 1 1 13 13 LYS N N 542 125.132 125.132 126.770 -1.638 17519
7890 1 15 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.676 0.262 17519
7891 1 15 . 1 1 13 13 LYS C C 542 180.078 180.078 176.006 4.072 17519
7892 1 15 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.370 -3.934 17519
7893 1 15 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.445 -0.840 17519
7894 1 15 . 1 1 13 13 LYS H H 542 7.515 7.515 7.679 -0.164 17519
7895 1 15 . 1 1 14 14 GLY N N 543 112.724 112.724 112.787 -0.063 17519
7896 1 15 . 1 1 14 14 GLY C C 543 174.151 174.151 173.073 1.078 17519
7897 1 15 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.684 1.606 17519
7898 1 15 . 1 1 14 14 GLY H H 543 7.629 7.629 8.189 -0.560 17519
7899 1 15 . 1 1 15 15 PHE N N 544 121.583 121.583 119.240 2.343 17519
7900 1 15 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.946 -0.224 17519
7901 1 15 . 1 1 15 15 PHE C C 544 175.876 175.876 175.440 0.436 17519
7902 1 15 . 1 1 15 15 PHE CA C 544 57.110 57.110 59.094 -1.984 17519
7903 1 15 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.473 -2.082 17519
7904 1 15 . 1 1 15 15 PHE H H 544 8.557 8.557 8.471 0.086 17519
7905 1 15 . 1 1 16 16 ASN N N 545 117.559 117.559 119.045 -1.486 17519
7906 1 15 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.844 -0.380 17519
7907 1 15 . 1 1 16 16 ASN C C 545 176.289 176.289 174.288 2.001 17519
7908 1 15 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.375 3.045 17519
7909 1 15 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.083 0.180 17519
7910 1 15 . 1 1 16 16 ASN H H 545 8.561 8.561 8.343 0.218 17519
7911 1 15 . 1 1 17 17 SER N N 546 112.901 112.901 115.012 -2.111 17519
7912 1 15 . 1 1 17 17 SER HA H 546 4.862 4.862 4.367 0.495 17519
7913 1 15 . 1 1 17 17 SER CA C 546 53.586 53.586 57.836 -4.250 17519
7914 1 15 . 1 1 17 17 SER CB C 546 63.708 63.708 63.341 0.367 17519
7915 1 15 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.682 -0.089 17519
7916 1 15 . 1 1 18 18 PRO C C 547 175.806 175.806 175.852 -0.046 17519
7917 1 15 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.469 0.052 17519
7918 1 15 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.496 0.167 17519
7919 1 15 . 1 1 19 19 TYR N N 548 122.230 122.230 118.513 3.717 17519
7920 1 15 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.545 0.332 17519
7921 1 15 . 1 1 19 19 TYR C C 548 174.660 174.660 174.987 -0.327 17519
7922 1 15 . 1 1 19 19 TYR CA C 548 56.660 56.660 58.428 -1.768 17519
7923 1 15 . 1 1 19 19 TYR CB C 548 40.462 40.462 41.205 -0.743 17519
7924 1 15 . 1 1 19 19 TYR H H 548 9.141 9.141 8.095 1.046 17519
7925 1 15 . 1 1 20 20 ILE N N 549 118.425 118.425 121.170 -2.745 17519
7926 1 15 . 1 1 20 20 ILE HA H 549 5.072 5.072 5.024 0.048 17519
7927 1 15 . 1 1 20 20 ILE C C 549 171.422 171.422 173.507 -2.085 17519
7928 1 15 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.965 -0.536 17519
7929 1 15 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.810 -0.054 17519
7930 1 15 . 1 1 21 21 HIS N N 550 133.248 133.248 127.085 6.163 17519
7931 1 15 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.783 0.580 17519
7932 1 15 . 1 1 21 21 HIS C C 550 174.988 174.988 173.225 1.763 17519
7933 1 15 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.275 -0.360 17519
7934 1 15 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.772 2.002 17519
7935 1 15 . 1 1 21 21 HIS H H 550 8.956 8.956 8.448 0.508 17519
7936 1 15 . 1 1 22 22 TYR N N 551 121.831 121.831 122.640 -0.809 17519
7937 1 15 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.510 0.673 17519
7938 1 15 . 1 1 22 22 TYR C C 551 173.934 173.934 173.328 0.606 17519
7939 1 15 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.999 1.669 17519
7940 1 15 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.448 1.270 17519
7941 1 15 . 1 1 22 22 TYR H H 551 8.204 8.204 8.092 0.112 17519
7942 1 15 . 1 1 23 23 ARG N N 552 115.619 115.619 118.402 -2.783 17519
7943 1 15 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.769 -0.007 17519
7944 1 15 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.451 0.029 17519
7945 1 15 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.211 -1.173 17519
7946 1 15 . 1 1 23 23 ARG H H 552 8.674 8.674 8.911 -0.237 17519
7947 1 15 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.390 0.166 17519
7948 1 15 . 1 1 24 24 PRO C C 553 176.736 176.736 176.070 0.666 17519
7949 1 15 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.405 -0.053 17519
7950 1 15 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.053 -0.173 17519
7951 1 15 . 1 1 25 25 ALA N N 554 125.908 125.908 125.590 0.318 17519
7952 1 15 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.824 0.198 17519
7953 1 15 . 1 1 25 25 ALA C C 554 179.217 179.217 177.700 1.517 17519
7954 1 15 . 1 1 25 25 ALA CA C 554 54.085 54.085 52.767 1.317 17519
7955 1 15 . 1 1 25 25 ALA CB C 554 18.232 18.232 16.868 1.364 17519
7956 1 15 . 1 1 25 25 ALA H H 554 8.293 8.293 8.268 0.025 17519
7957 1 15 . 1 1 26 26 GLY N N 555 111.766 111.766 109.515 2.251 17519
7958 1 15 . 1 1 26 26 GLY C C 555 174.796 174.796 174.028 0.768 17519
7959 1 15 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.646 -0.005 17519
7960 1 15 . 1 1 26 26 GLY H H 555 8.602 8.602 8.245 0.357 17519
7961 1 15 . 1 1 27 27 GLY N N 556 109.512 109.512 108.937 0.575 17519
7962 1 15 . 1 1 27 27 GLY C C 556 173.368 173.368 172.914 0.454 17519
7963 1 15 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.501 -0.295 17519
7964 1 15 . 1 1 27 27 GLY H H 556 8.494 8.494 8.205 0.289 17519
7965 1 15 . 1 1 28 28 SER N N 557 117.962 117.962 116.741 1.221 17519
7966 1 15 . 1 1 28 28 SER HA H 557 4.690 4.690 4.568 0.122 17519
7967 1 15 . 1 1 28 28 SER C C 557 173.656 173.656 173.473 0.183 17519
7968 1 15 . 1 1 28 28 SER CA C 557 57.492 57.492 57.048 0.444 17519
7969 1 15 . 1 1 28 28 SER CB C 557 64.803 64.803 64.571 0.232 17519
7970 1 15 . 1 1 28 28 SER H H 557 8.681 8.681 7.829 0.852 17519
7971 1 15 . 1 1 29 29 TRP N N 558 123.928 123.928 125.553 -1.625 17519
7972 1 15 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.680 -0.228 17519
7973 1 15 . 1 1 29 29 TRP C C 558 178.891 178.891 176.521 2.370 17519
7974 1 15 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.638 1.436 17519
7975 1 15 . 1 1 29 29 TRP CB C 558 30.706 30.706 29.790 0.916 17519
7976 1 15 . 1 1 29 29 TRP H H 558 8.392 8.392 8.556 -0.164 17519
7977 1 15 . 1 1 30 30 THR N N 559 111.067 111.067 119.605 -8.538 17519
7978 1 15 . 1 1 30 30 THR HA H 559 4.037 4.037 4.210 -0.173 17519
7979 1 15 . 1 1 30 30 THR C C 559 174.782 174.782 174.487 0.295 17519
7980 1 15 . 1 1 30 30 THR CA C 559 61.321 61.321 63.641 -2.320 17519
7981 1 15 . 1 1 30 30 THR CB C 559 70.561 70.561 69.728 0.833 17519
7982 1 15 . 1 1 30 30 THR H H 559 7.953 7.953 8.406 -0.453 17519
7983 1 15 . 1 1 31 31 ALA N N 560 123.046 123.046 124.871 -1.825 17519
7984 1 15 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.131 0.320 17519
7985 1 15 . 1 1 31 31 ALA C C 560 178.493 178.493 176.728 1.765 17519
7986 1 15 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.476 -0.562 17519
7987 1 15 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.667 -0.668 17519
7988 1 15 . 1 1 31 31 ALA H H 560 8.437 8.437 8.371 0.066 17519
7989 1 15 . 1 1 32 32 ALA N N 561 129.644 129.644 127.919 1.725 17519
7990 1 15 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.962 -0.021 17519
7991 1 15 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.903 1.853 17519
7992 1 15 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.426 -2.276 17519
7993 1 15 . 1 1 32 32 ALA H H 561 8.828 8.828 8.141 0.687 17519
7994 1 15 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.406 -0.508 17519
7995 1 15 . 1 1 33 33 PRO C C 562 173.280 173.280 176.877 -3.597 17519
7996 1 15 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.139 1.300 17519
7997 1 15 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.568 -0.057 17519
7998 1 15 . 1 1 34 34 GLY N N 563 112.224 112.224 110.202 2.022 17519
7999 1 15 . 1 1 34 34 GLY C C 563 173.977 173.977 174.341 -0.364 17519
8000 1 15 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.962 -2.013 17519
8001 1 15 . 1 1 34 34 GLY H H 563 8.763 8.763 7.705 1.058 17519
8002 1 15 . 1 1 35 35 VAL N N 564 123.427 123.427 117.462 5.965 17519
8003 1 15 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.445 -0.044 17519
8004 1 15 . 1 1 35 35 VAL C C 564 174.734 174.734 174.380 0.354 17519
8005 1 15 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.005 0.882 17519
8006 1 15 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.701 -0.800 17519
8007 1 15 . 1 1 36 36 LYS N N 565 128.212 128.212 123.994 4.218 17519
8008 1 15 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.894 -0.785 17519
8009 1 15 . 1 1 36 36 LYS C C 565 176.437 176.437 176.056 0.381 17519
8010 1 15 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.505 1.681 17519
8011 1 15 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.257 0.157 17519
8012 1 15 . 1 1 36 36 LYS H H 565 8.486 8.486 8.399 0.087 17519
8013 1 15 . 1 1 37 37 MET N N 566 124.964 124.964 124.377 0.587 17519
8014 1 15 . 1 1 37 37 MET HA H 566 4.228 4.228 4.227 0.001 17519
8015 1 15 . 1 1 37 37 MET C C 566 175.652 175.652 175.640 0.012 17519
8016 1 15 . 1 1 37 37 MET CA C 566 56.485 56.485 56.673 -0.188 17519
8017 1 15 . 1 1 37 37 MET CB C 566 35.011 35.011 31.769 3.242 17519
8018 1 15 . 1 1 37 37 MET H H 566 8.202 8.202 8.522 -0.320 17519
8019 1 15 . 1 1 38 38 GLN N N 567 121.561 121.561 125.060 -3.499 17519
8020 1 15 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.357 0.080 17519
8021 1 15 . 1 1 38 38 GLN C C 567 175.809 175.809 175.577 0.232 17519
8022 1 15 . 1 1 38 38 GLN CA C 567 54.822 54.822 55.454 -0.632 17519
8023 1 15 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.201 -0.019 17519
8024 1 15 . 1 1 38 38 GLN H H 567 8.489 8.489 8.279 0.210 17519
8025 1 15 . 1 1 39 39 ASP N N 568 121.881 121.881 125.472 -3.591 17519
8026 1 15 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.409 0.374 17519
8027 1 15 . 1 1 39 39 ASP C C 568 176.715 176.715 175.780 0.935 17519
8028 1 15 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.791 -0.624 17519
8029 1 15 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.863 -1.624 17519
8030 1 15 . 1 1 39 39 ASP H H 568 8.780 8.780 8.701 0.079 17519
8031 1 15 . 1 1 40 40 ALA N N 569 122.696 122.696 126.533 -3.837 17519
8032 1 15 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.269 0.083 17519
8033 1 15 . 1 1 40 40 ALA C C 569 175.165 175.165 177.266 -2.101 17519
8034 1 15 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.701 -1.208 17519
8035 1 15 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.176 1.559 17519
8036 1 15 . 1 1 40 40 ALA H H 569 8.463 8.463 8.228 0.235 17519
8037 1 15 . 1 1 41 41 GLU N N 570 120.083 120.083 117.705 2.378 17519
8038 1 15 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.511 -0.160 17519
8039 1 15 . 1 1 41 41 GLU C C 570 174.683 174.683 177.042 -2.359 17519
8040 1 15 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.189 1.336 17519
8041 1 15 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.898 -3.667 17519
8042 1 15 . 1 1 41 41 GLU H H 570 10.398 10.398 8.622 1.776 17519
8043 1 15 . 1 1 42 42 ILE N N 571 119.363 119.363 120.722 -1.359 17519
8044 1 15 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.165 0.214 17519
8045 1 15 . 1 1 42 42 ILE C C 571 174.913 174.913 176.691 -1.778 17519
8046 1 15 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.354 -3.534 17519
8047 1 15 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.085 1.501 17519
8048 1 15 . 1 1 42 42 ILE H H 571 6.526 6.526 7.875 -1.349 17519
8049 1 15 . 1 1 43 43 SER N N 572 121.258 121.258 115.069 6.189 17519
8050 1 15 . 1 1 43 43 SER HA H 572 4.352 4.352 4.522 -0.170 17519
8051 1 15 . 1 1 43 43 SER C C 572 175.617 175.617 173.969 1.648 17519
8052 1 15 . 1 1 43 43 SER CA C 572 60.125 60.125 58.901 1.224 17519
8053 1 15 . 1 1 43 43 SER CB C 572 63.063 63.063 63.588 -0.525 17519
8054 1 15 . 1 1 43 43 SER H H 572 8.618 8.618 8.174 0.444 17519
8055 1 15 . 1 1 44 44 GLY N N 573 111.836 111.836 111.982 -0.146 17519
8056 1 15 . 1 1 44 44 GLY C C 573 173.828 173.828 173.136 0.692 17519
8057 1 15 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.115 -0.260 17519
8058 1 15 . 1 1 44 44 GLY H H 573 8.691 8.691 8.783 -0.092 17519
8059 1 15 . 1 1 45 45 TYR N N 574 116.297 116.297 120.642 -4.345 17519
8060 1 15 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.657 1.104 17519
8061 1 15 . 1 1 45 45 TYR C C 574 175.520 175.520 173.977 1.543 17519
8062 1 15 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.398 -0.878 17519
8063 1 15 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.886 1.031 17519
8064 1 15 . 1 1 45 45 TYR H H 574 7.854 7.854 7.504 0.350 17519
8065 1 15 . 1 1 46 46 ALA N N 575 126.117 126.117 123.449 2.668 17519
8066 1 15 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.657 0.750 17519
8067 1 15 . 1 1 46 46 ALA C C 575 176.096 176.096 174.966 1.130 17519
8068 1 15 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.570 -0.198 17519
8069 1 15 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.763 2.603 17519
8070 1 15 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.532 0.178 17519
8071 1 15 . 1 1 47 47 LYS C C 576 173.794 173.794 174.546 -0.752 17519
8072 1 15 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.032 0.358 17519
8073 1 15 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.742 0.199 17519
8074 1 15 . 1 1 48 48 ILE N N 577 120.000 120.000 120.297 -0.297 17519
8075 1 15 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.741 -0.296 17519
8076 1 15 . 1 1 48 48 ILE C C 577 171.242 171.242 173.603 -2.361 17519
8077 1 15 . 1 1 48 48 ILE CA C 577 60.380 60.380 58.943 1.437 17519
8078 1 15 . 1 1 48 48 ILE CB C 577 42.316 42.316 41.980 0.336 17519
8079 1 15 . 1 1 48 48 ILE H H 577 8.041 8.041 8.878 -0.837 17519
8080 1 15 . 1 1 49 49 THR N N 578 122.357 122.357 122.464 -0.107 17519
8081 1 15 . 1 1 49 49 THR HA H 578 5.344 5.344 5.356 -0.012 17519
8082 1 15 . 1 1 49 49 THR C C 578 173.601 173.601 174.068 -0.467 17519
8083 1 15 . 1 1 49 49 THR CA C 578 61.849 61.849 60.944 0.905 17519
8084 1 15 . 1 1 49 49 THR CB C 578 70.593 70.593 70.759 -0.166 17519
8085 1 15 . 1 1 49 49 THR H H 578 8.043 8.043 8.412 -0.369 17519
8086 1 15 . 1 1 50 50 VAL N N 579 126.489 126.489 124.625 1.864 17519
8087 1 15 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.278 -0.138 17519
8088 1 15 . 1 1 50 50 VAL C C 579 174.015 174.015 174.603 -0.588 17519
8089 1 15 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.433 -0.181 17519
8090 1 15 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.224 -0.071 17519
8091 1 15 . 1 1 50 50 VAL H H 579 9.349 9.349 8.408 0.941 17519
8092 1 15 . 1 1 51 51 ASP N N 580 126.891 126.891 126.283 0.608 17519
8093 1 15 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.006 -0.139 17519
8094 1 15 . 1 1 51 51 ASP C C 580 176.752 176.752 176.120 0.632 17519
8095 1 15 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.882 -0.356 17519
8096 1 15 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.496 0.320 17519
8097 1 15 . 1 1 51 51 ASP H H 580 8.616 8.616 8.608 0.008 17519
8098 1 15 . 1 1 52 52 ILE N N 581 118.893 118.893 114.196 4.697 17519
8099 1 15 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.573 0.015 17519
8100 1 15 . 1 1 52 52 ILE C C 581 176.717 176.717 175.766 0.951 17519
8101 1 15 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.722 0.379 17519
8102 1 15 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.175 -0.119 17519
8103 1 15 . 1 1 52 52 ILE H H 581 8.627 8.627 8.135 0.492 17519
8104 1 15 . 1 1 53 53 GLY N N 582 114.728 114.728 111.164 3.564 17519
8105 1 15 . 1 1 53 53 GLY C C 582 174.442 174.442 174.231 0.211 17519
8106 1 15 . 1 1 53 53 GLY CA C 582 47.605 47.605 45.853 1.752 17519
8107 1 15 . 1 1 53 53 GLY H H 582 9.075 9.075 8.689 0.386 17519
8108 1 15 . 1 1 54 54 SER N N 583 120.404 120.404 114.184 6.220 17519
8109 1 15 . 1 1 54 54 SER HA H 583 4.549 4.549 4.308 0.241 17519
8110 1 15 . 1 1 54 54 SER C C 583 175.149 175.149 173.796 1.353 17519
8111 1 15 . 1 1 54 54 SER CA C 583 58.133 58.133 58.396 -0.263 17519
8112 1 15 . 1 1 54 54 SER CB C 583 63.647 63.647 63.705 -0.058 17519
8113 1 15 . 1 1 54 54 SER H H 583 8.812 8.812 8.363 0.449 17519
8114 1 15 . 1 1 55 55 ALA N N 584 125.527 125.527 125.409 0.118 17519
8115 1 15 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.570 -0.153 17519
8116 1 15 . 1 1 55 55 ALA C C 584 175.867 175.867 176.760 -0.893 17519
8117 1 15 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.610 0.757 17519
8118 1 15 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.393 -0.329 17519
8119 1 15 . 1 1 55 55 ALA H H 584 7.820 7.820 7.409 0.411 17519
8120 1 15 . 1 1 56 56 SER N N 585 109.786 109.786 115.131 -5.345 17519
8121 1 15 . 1 1 56 56 SER HA H 585 4.564 4.564 4.530 0.034 17519
8122 1 15 . 1 1 56 56 SER C C 585 173.978 173.978 173.892 0.086 17519
8123 1 15 . 1 1 56 56 SER CA C 585 58.220 58.220 58.808 -0.588 17519
8124 1 15 . 1 1 56 56 SER CB C 585 64.962 64.962 63.782 1.180 17519
8125 1 15 . 1 1 56 56 SER H H 585 8.785 8.785 8.548 0.237 17519
8126 1 15 . 1 1 57 57 GLN N N 586 116.690 116.690 118.274 -1.584 17519
8127 1 15 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.944 0.204 17519
8128 1 15 . 1 1 57 57 GLN C C 586 172.923 172.923 173.330 -0.407 17519
8129 1 15 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.004 -1.008 17519
8130 1 15 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.739 1.802 17519
8131 1 15 . 1 1 57 57 GLN H H 586 7.144 7.144 7.538 -0.394 17519
8132 1 15 . 1 1 58 58 LEU N N 587 123.011 123.011 124.199 -1.188 17519
8133 1 15 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.063 -0.395 17519
8134 1 15 . 1 1 58 58 LEU C C 587 173.426 173.426 174.281 -0.855 17519
8135 1 15 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.684 -0.306 17519
8136 1 15 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.255 1.403 17519
8137 1 15 . 1 1 58 58 LEU H H 587 9.226 9.226 9.217 0.009 17519
8138 1 15 . 1 1 59 59 GLU N N 588 129.185 129.185 124.624 4.561 17519
8139 1 15 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.424 -0.115 17519
8140 1 15 . 1 1 59 59 GLU C C 588 175.409 175.409 174.996 0.413 17519
8141 1 15 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.547 1.103 17519
8142 1 15 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.639 0.409 17519
8143 1 15 . 1 1 59 59 GLU H H 588 8.830 8.830 8.549 0.281 17519
8144 1 15 . 1 1 60 60 ALA N N 589 126.011 126.011 124.930 1.081 17519
8145 1 15 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.168 0.735 17519
8146 1 15 . 1 1 60 60 ALA C C 589 174.861 174.861 175.073 -0.212 17519
8147 1 15 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.093 0.054 17519
8148 1 15 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.819 2.038 17519
8149 1 15 . 1 1 60 60 ALA H H 589 9.748 9.748 7.910 1.838 17519
8150 1 15 . 1 1 61 61 ALA N N 590 120.783 120.783 124.034 -3.251 17519
8151 1 15 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.297 0.520 17519
8152 1 15 . 1 1 61 61 ALA C C 590 174.731 174.731 174.960 -0.229 17519
8153 1 15 . 1 1 61 61 ALA CA C 590 51.128 51.128 49.887 1.241 17519
8154 1 15 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.326 0.774 17519
8155 1 15 . 1 1 61 61 ALA H H 590 9.392 9.392 8.919 0.473 17519
8156 1 15 . 1 1 62 62 PHE N N 591 116.572 116.572 116.979 -0.407 17519
8157 1 15 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.965 1.042 17519
8158 1 15 . 1 1 62 62 PHE C C 591 175.059 175.059 174.354 0.705 17519
8159 1 15 . 1 1 62 62 PHE CA C 591 56.456 56.456 55.831 0.625 17519
8160 1 15 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.382 1.941 17519
8161 1 15 . 1 1 62 62 PHE H H 591 8.394 8.394 7.670 0.724 17519
8162 1 15 . 1 1 63 63 ASN N N 592 116.166 116.166 118.793 -2.627 17519
8163 1 15 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.329 -0.165 17519
8164 1 15 . 1 1 63 63 ASN C C 592 172.073 172.073 175.099 -3.026 17519
8165 1 15 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.556 2.171 17519
8166 1 15 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.087 0.145 17519
8167 1 15 . 1 1 63 63 ASN H H 592 9.117 9.117 8.668 0.449 17519
8168 1 15 . 1 1 64 64 ASP N N 593 118.039 118.039 119.982 -1.943 17519
8169 1 15 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.238 -0.019 17519
8170 1 15 . 1 1 64 64 ASP C C 593 177.248 177.248 177.320 -0.072 17519
8171 1 15 . 1 1 64 64 ASP CA C 593 52.251 52.251 56.789 -4.538 17519
8172 1 15 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.911 -0.189 17519
8173 1 15 . 1 1 64 64 ASP H H 593 7.558 7.558 7.901 -0.343 17519
8174 1 15 . 1 1 65 65 GLY N N 594 110.622 110.622 105.845 4.777 17519
8175 1 15 . 1 1 65 65 GLY C C 594 173.126 173.126 173.136 -0.010 17519
8176 1 15 . 1 1 65 65 GLY CA C 594 45.529 45.529 44.891 0.638 17519
8177 1 15 . 1 1 65 65 GLY H H 594 8.742 8.742 8.007 0.735 17519
8178 1 15 . 1 1 66 66 ASN N N 595 120.863 120.863 118.322 2.541 17519
8179 1 15 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.852 -0.095 17519
8180 1 15 . 1 1 66 66 ASN C C 595 174.434 174.434 173.880 0.554 17519
8181 1 15 . 1 1 66 66 ASN CA C 595 52.167 52.167 54.292 -2.125 17519
8182 1 15 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.998 0.390 17519
8183 1 15 . 1 1 66 66 ASN H H 595 8.424 8.424 7.731 0.693 17519
8184 1 15 . 1 1 67 67 ASN N N 596 113.308 113.308 119.219 -5.911 17519
8185 1 15 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.749 -0.519 17519
8186 1 15 . 1 1 67 67 ASN C C 596 173.796 173.796 174.217 -0.421 17519
8187 1 15 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.465 -0.040 17519
8188 1 15 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.407 -1.254 17519
8189 1 15 . 1 1 67 67 ASN H H 596 8.744 8.744 8.653 0.091 17519
8190 1 15 . 1 1 68 68 ASN N N 597 118.418 118.418 120.271 -1.853 17519
8191 1 15 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.019 0.099 17519
8192 1 15 . 1 1 68 68 ASN C C 597 173.474 173.474 173.606 -0.132 17519
8193 1 15 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.355 0.783 17519
8194 1 15 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.950 -0.328 17519
8195 1 15 . 1 1 68 68 ASN H H 597 8.032 8.032 8.296 -0.264 17519
8196 1 15 . 1 1 69 69 TRP N N 598 120.990 120.990 123.162 -2.172 17519
8197 1 15 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.024 -0.168 17519
8198 1 15 . 1 1 69 69 TRP C C 598 176.220 176.220 176.356 -0.136 17519
8199 1 15 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.573 0.660 17519
8200 1 15 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.218 2.001 17519
8201 1 15 . 1 1 69 69 TRP H H 598 8.842 8.842 8.566 0.276 17519
8202 1 15 . 1 1 70 70 ASP N N 599 122.210 122.210 125.862 -3.652 17519
8203 1 15 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.091 0.155 17519
8204 1 15 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.370 -1.124 17519
8205 1 15 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.250 0.648 17519
8206 1 15 . 1 1 70 70 ASP H H 599 9.831 9.831 8.982 0.849 17519
8207 1 15 . 1 1 71 71 SER N N 600 117.252 117.252 115.824 1.428 17519
8208 1 15 . 1 1 71 71 SER HA H 600 5.141 5.141 4.604 0.537 17519
8209 1 15 . 1 1 71 71 SER CA C 600 55.907 55.907 57.567 -1.660 17519
8210 1 15 . 1 1 71 71 SER H H 600 9.328 9.328 8.408 0.920 17519
8211 1 15 . 1 1 72 72 ASN N N 601 123.197 123.197 118.392 4.805 17519
8212 1 15 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.482 -0.053 17519
8213 1 15 . 1 1 72 72 ASN C C 601 176.895 176.895 175.319 1.576 17519
8214 1 15 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.299 -0.206 17519
8215 1 15 . 1 1 72 72 ASN CB C 601 39.150 39.150 39.309 -0.159 17519
8216 1 15 . 1 1 72 72 ASN H H 601 8.715 8.715 8.188 0.527 17519
8217 1 15 . 1 1 73 73 ASN N N 602 116.099 116.099 120.423 -4.324 17519
8218 1 15 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.426 0.018 17519
8219 1 15 . 1 1 73 73 ASN C C 602 176.304 176.304 175.237 1.067 17519
8220 1 15 . 1 1 73 73 ASN CA C 602 54.465 54.465 55.105 -0.640 17519
8221 1 15 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.494 -1.217 17519
8222 1 15 . 1 1 73 73 ASN H H 602 9.184 9.184 8.621 0.563 17519
8223 1 15 . 1 1 74 74 THR N N 603 110.445 110.445 112.007 -1.562 17519
8224 1 15 . 1 1 74 74 THR HA H 603 3.835 3.835 4.358 -0.523 17519
8225 1 15 . 1 1 74 74 THR C C 603 173.186 173.186 172.969 0.217 17519
8226 1 15 . 1 1 74 74 THR CA C 603 65.006 65.006 62.471 2.535 17519
8227 1 15 . 1 1 74 74 THR CB C 603 69.653 69.653 69.212 0.441 17519
8228 1 15 . 1 1 74 74 THR H H 603 7.829 7.829 7.660 0.169 17519
8229 1 15 . 1 1 75 75 LYS N N 604 121.909 121.909 122.038 -0.129 17519
8230 1 15 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.257 -0.120 17519
8231 1 15 . 1 1 75 75 LYS C C 604 177.262 177.262 174.569 2.693 17519
8232 1 15 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.356 1.411 17519
8233 1 15 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.890 -0.514 17519
8234 1 15 . 1 1 75 75 LYS H H 604 7.714 7.714 7.895 -0.181 17519
8235 1 15 . 1 1 76 76 ASN N N 605 108.823 108.823 117.396 -8.573 17519
8236 1 15 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.660 -0.720 17519
8237 1 15 . 1 1 76 76 ASN C C 605 171.742 171.742 175.222 -3.480 17519
8238 1 15 . 1 1 76 76 ASN CA C 605 54.159 54.159 53.017 1.142 17519
8239 1 15 . 1 1 76 76 ASN CB C 605 39.027 39.027 39.070 -0.043 17519
8240 1 15 . 1 1 76 76 ASN H H 605 8.274 8.274 7.938 0.336 17519
8241 1 15 . 1 1 77 77 TYR N N 606 117.628 117.628 117.389 0.239 17519
8242 1 15 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.517 0.310 17519
8243 1 15 . 1 1 77 77 TYR C C 606 174.468 174.468 174.079 0.389 17519
8244 1 15 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.204 0.365 17519
8245 1 15 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.266 1.289 17519
8246 1 15 . 1 1 77 77 TYR H H 606 9.055 9.055 8.198 0.857 17519
8247 1 15 . 1 1 78 78 LEU N N 607 121.811 121.811 123.434 -1.623 17519
8248 1 15 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.347 0.956 17519
8249 1 15 . 1 1 78 78 LEU C C 607 175.673 175.673 175.717 -0.044 17519
8250 1 15 . 1 1 78 78 LEU CA C 607 53.244 53.244 53.835 -0.591 17519
8251 1 15 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.236 1.735 17519
8252 1 15 . 1 1 78 78 LEU H H 607 7.983 7.983 8.504 -0.521 17519
8253 1 15 . 1 1 79 79 PHE N N 608 121.390 121.390 122.925 -1.535 17519
8254 1 15 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.833 -0.006 17519
8255 1 15 . 1 1 79 79 PHE C C 608 175.786 175.786 174.462 1.324 17519
8256 1 15 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.246 0.605 17519
8257 1 15 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.048 0.515 17519
8258 1 15 . 1 1 79 79 PHE H H 608 9.240 9.240 8.817 0.423 17519
8259 1 15 . 1 1 80 80 SER N N 609 117.589 117.589 115.724 1.865 17519
8260 1 15 . 1 1 80 80 SER HA H 609 4.979 4.979 4.969 0.010 17519
8261 1 15 . 1 1 80 80 SER C C 609 173.269 173.269 174.825 -1.556 17519
8262 1 15 . 1 1 80 80 SER CA C 609 57.811 57.811 56.434 1.377 17519
8263 1 15 . 1 1 80 80 SER CB C 609 64.856 64.856 64.652 0.204 17519
8264 1 15 . 1 1 80 80 SER H H 609 8.948 8.948 8.911 0.037 17519
8265 1 15 . 1 1 81 81 THR N N 610 112.845 112.845 113.258 -0.413 17519
8266 1 15 . 1 1 81 81 THR HA H 610 3.871 3.871 4.289 -0.418 17519
8267 1 15 . 1 1 81 81 THR C C 610 174.439 174.439 175.259 -0.820 17519
8268 1 15 . 1 1 81 81 THR CA C 610 64.353 64.353 63.347 1.006 17519
8269 1 15 . 1 1 81 81 THR CB C 610 69.421 69.421 69.463 -0.042 17519
8270 1 15 . 1 1 82 82 GLY N N 611 112.157 112.157 112.190 -0.033 17519
8271 1 15 . 1 1 82 82 GLY C C 611 174.430 174.430 172.742 1.688 17519
8272 1 15 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.720 -0.854 17519
8273 1 15 . 1 1 82 82 GLY H H 611 8.468 8.468 8.132 0.336 17519
8274 1 15 . 1 1 83 83 THR N N 612 120.992 120.992 120.075 0.917 17519
8275 1 15 . 1 1 83 83 THR HA H 612 5.483 5.483 5.087 0.396 17519
8276 1 15 . 1 1 83 83 THR C C 612 174.819 174.819 173.559 1.260 17519
8277 1 15 . 1 1 83 83 THR CA C 612 62.563 62.563 61.739 0.824 17519
8278 1 15 . 1 1 83 83 THR CB C 612 70.093 70.093 71.463 -1.371 17519
8279 1 15 . 1 1 83 83 THR H H 612 8.736 8.736 8.279 0.457 17519
8280 1 15 . 1 1 84 84 SER N N 613 122.602 122.602 122.102 0.500 17519
8281 1 15 . 1 1 84 84 SER HA H 613 5.489 5.489 5.027 0.462 17519
8282 1 15 . 1 1 84 84 SER C C 613 172.064 172.064 173.073 -1.009 17519
8283 1 15 . 1 1 84 84 SER CA C 613 58.813 58.813 57.376 1.437 17519
8284 1 15 . 1 1 84 84 SER CB C 613 67.694 67.694 67.206 0.488 17519
8285 1 15 . 1 1 84 84 SER H H 613 9.051 9.051 9.134 -0.083 17519
8286 1 15 . 1 1 85 85 THR N N 614 117.759 117.759 119.601 -1.842 17519
8287 1 15 . 1 1 85 85 THR HA H 614 5.256 5.256 5.142 0.114 17519
8288 1 15 . 1 1 85 85 THR C C 614 173.632 173.632 172.899 0.733 17519
8289 1 15 . 1 1 85 85 THR CA C 614 62.724 62.724 61.954 0.770 17519
8290 1 15 . 1 1 85 85 THR CB C 614 70.908 70.908 70.553 0.355 17519
8291 1 15 . 1 1 85 85 THR H H 614 9.523 9.523 8.752 0.771 17519
8292 1 15 . 1 1 86 86 TYR N N 615 131.519 131.519 129.594 1.925 17519
8293 1 15 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.911 0.302 17519
8294 1 15 . 1 1 86 86 TYR C C 615 172.999 172.999 173.544 -0.545 17519
8295 1 15 . 1 1 86 86 TYR CA C 615 57.163 57.163 55.028 2.135 17519
8296 1 15 . 1 1 86 86 TYR CB C 615 41.569 41.569 39.159 2.410 17519
8297 1 15 . 1 1 86 86 TYR H H 615 10.029 10.029 9.177 0.852 17519
8298 1 15 . 1 1 87 87 THR N N 616 124.674 124.674 124.500 0.174 17519
8299 1 15 . 1 1 87 87 THR HA H 616 4.370 4.370 4.564 -0.194 17519
8300 1 15 . 1 1 87 87 THR CA C 616 58.725 58.725 59.317 -0.592 17519
8301 1 15 . 1 1 87 87 THR CB C 616 70.070 70.070 69.692 0.378 17519
8302 1 15 . 1 1 87 87 THR H H 616 8.027 8.027 9.061 -1.034 17519
8303 1 15 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.865 -0.773 17519
8304 1 15 . 1 1 88 88 PRO C C 617 177.011 177.011 176.235 0.776 17519
8305 1 15 . 1 1 88 88 PRO CA C 617 62.887 62.887 61.744 1.143 17519
8306 1 15 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.748 -0.424 17519
8307 1 15 . 1 1 89 89 GLY N N 618 108.881 108.881 107.447 1.434 17519
8308 1 15 . 1 1 89 89 GLY C C 618 173.673 173.673 173.320 0.353 17519
8309 1 15 . 1 1 89 89 GLY CA C 618 43.996 43.996 43.532 0.464 17519
8310 1 15 . 1 1 89 89 GLY H H 618 8.261 8.261 8.137 0.124 17519
8311 1 15 . 1 1 90 90 SER N N 619 114.743 114.743 115.007 -0.264 17519
8312 1 15 . 1 1 90 90 SER HA H 619 4.537 4.537 4.730 -0.193 17519
8313 1 15 . 1 1 90 90 SER C C 619 175.706 175.706 173.740 1.966 17519
8314 1 15 . 1 1 90 90 SER CA C 619 57.617 57.617 57.657 -0.040 17519
8315 1 15 . 1 1 90 90 SER CB C 619 64.294 64.294 64.529 -0.235 17519
8316 1 15 . 1 1 90 90 SER H H 619 8.380 8.380 8.297 0.083 17519
8317 1 15 . 1 1 91 91 ASN N N 620 121.360 121.360 122.232 -0.872 17519
8318 1 15 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.634 -0.222 17519
8319 1 15 . 1 1 91 91 ASN C C 620 175.289 175.289 174.630 0.659 17519
8320 1 15 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.579 0.774 17519
8321 1 15 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.551 0.182 17519
8322 1 15 . 1 1 91 91 ASN H H 620 9.296 9.296 8.892 0.404 17519
8323 1 15 . 1 1 92 92 GLY N N 621 105.883 105.883 105.395 0.488 17519
8324 1 15 . 1 1 92 92 GLY C C 621 174.510 174.510 173.459 1.051 17519
8325 1 15 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.556 -0.327 17519
8326 1 15 . 1 1 92 92 GLY H H 621 8.528 8.528 8.339 0.189 17519
8327 1 15 . 1 1 93 93 ALA N N 622 123.803 123.803 121.738 2.065 17519
8328 1 15 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.582 -0.166 17519
8329 1 15 . 1 1 93 93 ALA C C 622 176.820 176.820 176.250 0.570 17519
8330 1 15 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.952 0.899 17519
8331 1 15 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.560 -0.756 17519
8332 1 15 . 1 1 93 93 ALA H H 622 7.486 7.486 7.874 -0.388 17519
8333 1 15 . 1 1 94 94 ALA N N 623 123.284 123.284 126.986 -3.702 17519
8334 1 15 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.273 0.317 17519
8335 1 15 . 1 1 94 94 ALA C C 623 178.770 178.770 177.927 0.843 17519
8336 1 15 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.038 -0.411 17519
8337 1 15 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.740 0.347 17519
8338 1 15 . 1 1 94 94 ALA H H 623 8.397 8.397 8.697 -0.300 17519
8339 1 15 . 1 1 95 95 GLY N N 624 108.970 108.970 107.484 1.486 17519
8340 1 15 . 1 1 95 95 GLY C C 624 173.156 173.156 173.572 -0.416 17519
8341 1 15 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.716 0.141 17519
8342 1 15 . 1 1 95 95 GLY H H 624 8.438 8.438 8.584 -0.146 17519
8343 1 15 . 1 1 96 96 THR N N 625 108.929 108.929 111.137 -2.208 17519
8344 1 15 . 1 1 96 96 THR HA H 625 4.603 4.603 4.670 -0.067 17519
8345 1 15 . 1 1 96 96 THR C C 625 172.765 172.765 172.810 -0.045 17519
8346 1 15 . 1 1 96 96 THR CA C 625 60.350 60.350 60.681 -0.331 17519
8347 1 15 . 1 1 96 96 THR CB C 625 72.295 72.295 72.229 0.066 17519
8348 1 15 . 1 1 96 96 THR H H 625 7.833 7.833 8.488 -0.655 17519
8349 1 15 . 1 1 97 97 ILE N N 626 123.623 123.623 120.222 3.401 17519
8350 1 15 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.208 -0.391 17519
8351 1 15 . 1 1 97 97 ILE C C 626 175.596 175.596 175.649 -0.053 17519
8352 1 15 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.953 1.095 17519
8353 1 15 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.894 1.284 17519
8354 1 15 . 1 1 97 97 ILE H H 626 8.594 8.594 8.425 0.169 17519
8355 1 15 . 1 1 98 98 ARG N N 627 127.431 127.431 127.941 -0.510 17519
8356 1 15 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.734 0.201 17519
8357 1 15 . 1 1 98 98 ARG C C 627 175.183 175.183 175.478 -0.295 17519
8358 1 15 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.160 -0.392 17519
8359 1 15 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.839 0.937 17519
8360 1 15 . 1 1 98 98 ARG H H 627 8.979 8.979 9.052 -0.073 17519
8361 1 15 . 1 1 99 99 THR N N 628 118.452 118.452 118.831 -0.379 17519
8362 1 15 . 1 1 99 99 THR HA H 628 4.410 4.410 4.438 -0.028 17519
8363 1 15 . 1 1 99 99 THR C C 628 174.845 174.845 175.021 -0.176 17519
8364 1 15 . 1 1 99 99 THR CA C 628 63.962 63.962 61.996 1.966 17519
8365 1 15 . 1 1 99 99 THR CB C 628 69.488 69.488 69.156 0.331 17519
8366 1 15 . 1 1 99 99 THR H H 628 8.697 8.697 8.516 0.181 17519
8367 1 15 . 1 1 100 100 GLY N N 629 114.137 114.137 111.106 3.031 17519
8368 1 15 . 1 1 100 100 GLY C C 629 171.903 171.903 173.109 -1.206 17519
8369 1 15 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.210 -0.463 17519
8370 1 15 . 1 1 100 100 GLY H H 629 8.626 8.626 8.426 0.200 17519
8371 1 15 . 1 1 101 101 ALA N N 630 120.627 120.627 126.042 -5.415 17519
8372 1 15 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.109 -0.417 17519
8373 1 15 . 1 1 101 101 ALA CA C 630 49.428 49.428 51.000 -1.572 17519
8374 1 15 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.902 -0.831 17519
8375 1 15 . 1 1 101 101 ALA H H 630 7.980 7.980 8.233 -0.253 17519
8376 1 15 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.384 -0.259 17519
8377 1 15 . 1 1 102 102 PRO C C 631 175.721 175.721 176.043 -0.322 17519
8378 1 15 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.399 0.541 17519
8379 1 15 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.209 -0.464 17519
8380 1 15 . 1 1 103 103 SER N N 632 113.689 113.689 117.566 -3.877 17519
8381 1 15 . 1 1 103 103 SER HA H 632 4.295 4.295 4.377 -0.082 17519
8382 1 15 . 1 1 103 103 SER C C 632 173.816 173.816 174.279 -0.463 17519
8383 1 15 . 1 1 103 103 SER CA C 632 57.689 57.689 58.036 -0.347 17519
8384 1 15 . 1 1 103 103 SER CB C 632 64.133 64.133 62.628 1.505 17519
8385 1 15 . 1 1 103 103 SER H H 632 7.969 7.969 8.188 -0.219 17519
8386 1 16 . 1 1 2 2 GLY C C 531 174.309 174.309 173.374 0.935 17519
8387 1 16 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.492 -0.316 17519
8388 1 16 . 1 1 3 3 THR N N 532 113.802 113.802 115.240 -1.438 17519
8389 1 16 . 1 1 3 3 THR HA H 532 4.429 4.429 4.511 -0.082 17519
8390 1 16 . 1 1 3 3 THR C C 532 174.430 174.430 173.711 0.719 17519
8391 1 16 . 1 1 3 3 THR CA C 532 61.577 61.577 61.447 0.131 17519
8392 1 16 . 1 1 3 3 THR CB C 532 69.849 69.849 69.505 0.344 17519
8393 1 16 . 1 1 3 3 THR H H 532 8.140 8.140 7.819 0.321 17519
8394 1 16 . 1 1 4 4 THR N N 533 115.407 115.407 112.700 2.707 17519
8395 1 16 . 1 1 4 4 THR HA H 533 4.350 4.350 3.905 0.445 17519
8396 1 16 . 1 1 4 4 THR C C 533 173.831 173.831 173.651 0.180 17519
8397 1 16 . 1 1 4 4 THR CA C 533 60.266 60.266 63.681 -3.415 17519
8398 1 16 . 1 1 4 4 THR CB C 533 69.788 69.788 68.529 1.259 17519
8399 1 16 . 1 1 4 4 THR H H 533 8.019 8.019 8.061 -0.042 17519
8400 1 16 . 1 1 5 5 ASN N N 534 121.822 121.822 121.732 0.090 17519
8401 1 16 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.769 0.067 17519
8402 1 16 . 1 1 5 5 ASN C C 534 174.057 174.057 174.270 -0.213 17519
8403 1 16 . 1 1 5 5 ASN CA C 534 52.686 52.686 53.200 -0.514 17519
8404 1 16 . 1 1 5 5 ASN CB C 534 39.156 39.156 38.919 0.237 17519
8405 1 16 . 1 1 5 5 ASN H H 534 8.863 8.863 8.675 0.188 17519
8406 1 16 . 1 1 6 6 LYS N N 535 119.369 119.369 119.777 -0.408 17519
8407 1 16 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.147 0.038 17519
8408 1 16 . 1 1 6 6 LYS C C 535 175.924 175.924 175.018 0.906 17519
8409 1 16 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.003 -0.472 17519
8410 1 16 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.996 -0.980 17519
8411 1 16 . 1 1 6 6 LYS H H 535 8.347 8.347 8.393 -0.046 17519
8412 1 16 . 1 1 7 7 VAL N N 536 123.112 123.112 120.903 2.209 17519
8413 1 16 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.384 0.189 17519
8414 1 16 . 1 1 7 7 VAL C C 536 174.602 174.602 175.112 -0.510 17519
8415 1 16 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.724 0.421 17519
8416 1 16 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.865 1.908 17519
8417 1 16 . 1 1 7 7 VAL H H 536 8.828 8.828 8.920 -0.092 17519
8418 1 16 . 1 1 8 8 THR N N 537 125.255 125.255 124.058 1.197 17519
8419 1 16 . 1 1 8 8 THR HA H 537 5.396 5.396 5.320 0.076 17519
8420 1 16 . 1 1 8 8 THR C C 537 173.129 173.129 173.861 -0.732 17519
8421 1 16 . 1 1 8 8 THR CA C 537 61.611 61.611 62.107 -0.496 17519
8422 1 16 . 1 1 8 8 THR CB C 537 70.113 70.113 70.058 0.055 17519
8423 1 16 . 1 1 8 8 THR H H 537 8.914 8.914 8.164 0.750 17519
8424 1 16 . 1 1 9 9 VAL N N 538 126.696 126.696 126.222 0.474 17519
8425 1 16 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.789 -0.255 17519
8426 1 16 . 1 1 9 9 VAL C C 538 175.565 175.565 174.519 1.046 17519
8427 1 16 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.572 0.308 17519
8428 1 16 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.554 0.625 17519
8429 1 16 . 1 1 9 9 VAL H H 538 8.585 8.585 8.820 -0.235 17519
8430 1 16 . 1 1 10 10 TYR N N 539 124.488 124.488 126.792 -2.304 17519
8431 1 16 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.241 0.017 17519
8432 1 16 . 1 1 10 10 TYR C C 539 174.309 174.309 174.737 -0.428 17519
8433 1 16 . 1 1 10 10 TYR CA C 539 57.266 57.266 57.300 -0.034 17519
8434 1 16 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.366 -0.956 17519
8435 1 16 . 1 1 10 10 TYR H H 539 9.111 9.111 9.198 -0.087 17519
8436 1 16 . 1 1 11 11 TYR N N 540 125.848 125.848 124.234 1.614 17519
8437 1 16 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.106 -0.080 17519
8438 1 16 . 1 1 11 11 TYR C C 540 173.346 173.346 173.548 -0.202 17519
8439 1 16 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.947 1.655 17519
8440 1 16 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.775 0.183 17519
8441 1 16 . 1 1 11 11 TYR H H 540 9.580 9.580 9.079 0.501 17519
8442 1 16 . 1 1 12 12 LYS N N 541 131.489 131.489 127.026 4.463 17519
8443 1 16 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.687 -0.235 17519
8444 1 16 . 1 1 12 12 LYS C C 541 172.904 172.904 174.596 -1.692 17519
8445 1 16 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.880 0.835 17519
8446 1 16 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.909 0.188 17519
8447 1 16 . 1 1 12 12 LYS H H 541 8.406 8.406 8.271 0.135 17519
8448 1 16 . 1 1 13 13 LYS N N 542 125.132 125.132 127.874 -2.742 17519
8449 1 16 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.826 0.112 17519
8450 1 16 . 1 1 13 13 LYS C C 542 180.078 180.078 176.155 3.923 17519
8451 1 16 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.123 -3.687 17519
8452 1 16 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.251 -0.645 17519
8453 1 16 . 1 1 13 13 LYS H H 542 7.515 7.515 7.717 -0.202 17519
8454 1 16 . 1 1 14 14 GLY N N 543 112.724 112.724 113.128 -0.404 17519
8455 1 16 . 1 1 14 14 GLY C C 543 174.151 174.151 173.218 0.933 17519
8456 1 16 . 1 1 14 14 GLY CA C 543 46.290 46.290 45.054 1.236 17519
8457 1 16 . 1 1 14 14 GLY H H 543 7.629 7.629 7.856 -0.227 17519
8458 1 16 . 1 1 15 15 PHE N N 544 121.583 121.583 120.854 0.729 17519
8459 1 16 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.859 -0.137 17519
8460 1 16 . 1 1 15 15 PHE C C 544 175.876 175.876 175.751 0.125 17519
8461 1 16 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.725 -1.615 17519
8462 1 16 . 1 1 15 15 PHE CB C 544 38.391 38.391 41.921 -3.530 17519
8463 1 16 . 1 1 15 15 PHE H H 544 8.557 8.557 8.855 -0.298 17519
8464 1 16 . 1 1 16 16 ASN N N 545 117.559 117.559 114.757 2.802 17519
8465 1 16 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.716 -0.252 17519
8466 1 16 . 1 1 16 16 ASN C C 545 176.289 176.289 175.013 1.276 17519
8467 1 16 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.447 2.973 17519
8468 1 16 . 1 1 16 16 ASN CB C 545 39.263 39.263 38.872 0.391 17519
8469 1 16 . 1 1 16 16 ASN H H 545 8.561 8.561 8.846 -0.285 17519
8470 1 16 . 1 1 17 17 SER N N 546 112.901 112.901 114.737 -1.836 17519
8471 1 16 . 1 1 17 17 SER HA H 546 4.862 4.862 4.746 0.116 17519
8472 1 16 . 1 1 17 17 SER CA C 546 53.586 53.586 57.799 -4.213 17519
8473 1 16 . 1 1 17 17 SER CB C 546 63.708 63.708 64.008 -0.300 17519
8474 1 16 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.764 -0.171 17519
8475 1 16 . 1 1 18 18 PRO C C 547 175.806 175.806 175.559 0.247 17519
8476 1 16 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.394 0.127 17519
8477 1 16 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.326 0.337 17519
8478 1 16 . 1 1 19 19 TYR N N 548 122.230 122.230 119.760 2.470 17519
8479 1 16 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.548 0.329 17519
8480 1 16 . 1 1 19 19 TYR C C 548 174.660 174.660 174.564 0.096 17519
8481 1 16 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.931 -1.271 17519
8482 1 16 . 1 1 19 19 TYR CB C 548 40.462 40.462 42.655 -2.193 17519
8483 1 16 . 1 1 19 19 TYR H H 548 9.141 9.141 8.688 0.453 17519
8484 1 16 . 1 1 20 20 ILE N N 549 118.425 118.425 118.664 -0.239 17519
8485 1 16 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.760 0.312 17519
8486 1 16 . 1 1 20 20 ILE C C 549 171.422 171.422 173.274 -1.852 17519
8487 1 16 . 1 1 20 20 ILE CA C 549 58.429 58.429 59.126 -0.697 17519
8488 1 16 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.876 -0.120 17519
8489 1 16 . 1 1 21 21 HIS N N 550 133.248 133.248 127.009 6.239 17519
8490 1 16 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.655 0.708 17519
8491 1 16 . 1 1 21 21 HIS C C 550 174.988 174.988 173.125 1.863 17519
8492 1 16 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.010 -0.095 17519
8493 1 16 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.488 2.286 17519
8494 1 16 . 1 1 21 21 HIS H H 550 8.956 8.956 8.312 0.644 17519
8495 1 16 . 1 1 22 22 TYR N N 551 121.831 121.831 123.066 -1.235 17519
8496 1 16 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.350 0.833 17519
8497 1 16 . 1 1 22 22 TYR C C 551 173.934 173.934 173.509 0.425 17519
8498 1 16 . 1 1 22 22 TYR CA C 551 56.668 56.668 55.015 1.653 17519
8499 1 16 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.398 1.320 17519
8500 1 16 . 1 1 22 22 TYR H H 551 8.204 8.204 7.903 0.301 17519
8501 1 16 . 1 1 23 23 ARG N N 552 115.619 115.619 119.870 -4.251 17519
8502 1 16 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.765 -0.003 17519
8503 1 16 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.396 0.084 17519
8504 1 16 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.389 -1.351 17519
8505 1 16 . 1 1 23 23 ARG H H 552 8.674 8.674 9.060 -0.386 17519
8506 1 16 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.546 0.010 17519
8507 1 16 . 1 1 24 24 PRO C C 553 176.736 176.736 177.284 -0.548 17519
8508 1 16 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.121 0.231 17519
8509 1 16 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.933 -1.053 17519
8510 1 16 . 1 1 25 25 ALA N N 554 125.908 125.908 123.799 2.109 17519
8511 1 16 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.899 0.123 17519
8512 1 16 . 1 1 25 25 ALA C C 554 179.217 179.217 179.163 0.054 17519
8513 1 16 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.543 -0.458 17519
8514 1 16 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.474 -0.242 17519
8515 1 16 . 1 1 25 25 ALA H H 554 8.293 8.293 8.253 0.040 17519
8516 1 16 . 1 1 26 26 GLY N N 555 111.766 111.766 104.518 7.248 17519
8517 1 16 . 1 1 26 26 GLY C C 555 174.796 174.796 175.547 -0.751 17519
8518 1 16 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.043 0.598 17519
8519 1 16 . 1 1 26 26 GLY H H 555 8.602 8.602 8.073 0.529 17519
8520 1 16 . 1 1 27 27 GLY N N 556 109.512 109.512 108.973 0.539 17519
8521 1 16 . 1 1 27 27 GLY C C 556 173.368 173.368 174.245 -0.877 17519
8522 1 16 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.612 -0.406 17519
8523 1 16 . 1 1 27 27 GLY H H 556 8.494 8.494 8.362 0.132 17519
8524 1 16 . 1 1 28 28 SER N N 557 117.962 117.962 115.959 2.003 17519
8525 1 16 . 1 1 28 28 SER HA H 557 4.690 4.690 4.665 0.025 17519
8526 1 16 . 1 1 28 28 SER C C 557 173.656 173.656 173.381 0.275 17519
8527 1 16 . 1 1 28 28 SER CA C 557 57.492 57.492 57.051 0.441 17519
8528 1 16 . 1 1 28 28 SER CB C 557 64.803 64.803 65.302 -0.498 17519
8529 1 16 . 1 1 28 28 SER H H 557 8.681 8.681 7.343 1.339 17519
8530 1 16 . 1 1 29 29 TRP N N 558 123.928 123.928 123.745 0.183 17519
8531 1 16 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.807 -0.355 17519
8532 1 16 . 1 1 29 29 TRP C C 558 178.891 178.891 176.578 2.313 17519
8533 1 16 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.235 1.839 17519
8534 1 16 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.408 0.298 17519
8535 1 16 . 1 1 29 29 TRP H H 558 8.392 8.392 8.484 -0.092 17519
8536 1 16 . 1 1 30 30 THR N N 559 111.067 111.067 119.804 -8.737 17519
8537 1 16 . 1 1 30 30 THR HA H 559 4.037 4.037 4.172 -0.135 17519
8538 1 16 . 1 1 30 30 THR C C 559 174.782 174.782 174.855 -0.073 17519
8539 1 16 . 1 1 30 30 THR CA C 559 61.321 61.321 63.858 -2.537 17519
8540 1 16 . 1 1 30 30 THR CB C 559 70.561 70.561 69.829 0.732 17519
8541 1 16 . 1 1 30 30 THR H H 559 7.953 7.953 8.279 -0.326 17519
8542 1 16 . 1 1 31 31 ALA N N 560 123.046 123.046 123.632 -0.586 17519
8543 1 16 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.102 0.349 17519
8544 1 16 . 1 1 31 31 ALA C C 560 178.493 178.493 176.783 1.710 17519
8545 1 16 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.578 -0.664 17519
8546 1 16 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.718 -0.719 17519
8547 1 16 . 1 1 31 31 ALA H H 560 8.437 8.437 8.354 0.083 17519
8548 1 16 . 1 1 32 32 ALA N N 561 129.644 129.644 127.755 1.889 17519
8549 1 16 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.006 -0.065 17519
8550 1 16 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.675 2.081 17519
8551 1 16 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.448 -2.298 17519
8552 1 16 . 1 1 32 32 ALA H H 561 8.828 8.828 8.134 0.694 17519
8553 1 16 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.299 -0.401 17519
8554 1 16 . 1 1 33 33 PRO C C 562 173.280 173.280 176.915 -3.635 17519
8555 1 16 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.066 1.373 17519
8556 1 16 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.454 0.057 17519
8557 1 16 . 1 1 34 34 GLY N N 563 112.224 112.224 110.252 1.972 17519
8558 1 16 . 1 1 34 34 GLY C C 563 173.977 173.977 174.111 -0.134 17519
8559 1 16 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.164 -2.216 17519
8560 1 16 . 1 1 34 34 GLY H H 563 8.763 8.763 7.927 0.836 17519
8561 1 16 . 1 1 35 35 VAL N N 564 123.427 123.427 118.523 4.904 17519
8562 1 16 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.463 -0.062 17519
8563 1 16 . 1 1 35 35 VAL C C 564 174.734 174.734 174.517 0.217 17519
8564 1 16 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.528 0.360 17519
8565 1 16 . 1 1 35 35 VAL CB C 564 34.901 34.901 36.059 -1.158 17519
8566 1 16 . 1 1 36 36 LYS N N 565 128.212 128.212 121.706 6.506 17519
8567 1 16 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.741 -0.632 17519
8568 1 16 . 1 1 36 36 LYS C C 565 176.437 176.437 176.197 0.240 17519
8569 1 16 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.228 1.959 17519
8570 1 16 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.520 0.894 17519
8571 1 16 . 1 1 36 36 LYS H H 565 8.486 8.486 8.205 0.281 17519
8572 1 16 . 1 1 37 37 MET N N 566 124.964 124.964 123.326 1.638 17519
8573 1 16 . 1 1 37 37 MET HA H 566 4.228 4.228 4.197 0.031 17519
8574 1 16 . 1 1 37 37 MET C C 566 175.652 175.652 176.038 -0.386 17519
8575 1 16 . 1 1 37 37 MET CA C 566 56.485 56.485 57.125 -0.640 17519
8576 1 16 . 1 1 37 37 MET CB C 566 35.011 35.011 32.649 2.362 17519
8577 1 16 . 1 1 37 37 MET H H 566 8.202 8.202 8.636 -0.434 17519
8578 1 16 . 1 1 38 38 GLN N N 567 121.561 121.561 124.780 -3.219 17519
8579 1 16 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.417 0.020 17519
8580 1 16 . 1 1 38 38 GLN C C 567 175.809 175.809 175.536 0.273 17519
8581 1 16 . 1 1 38 38 GLN CA C 567 54.822 54.822 55.117 -0.296 17519
8582 1 16 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.182 -0.000 17519
8583 1 16 . 1 1 38 38 GLN H H 567 8.489 8.489 8.252 0.237 17519
8584 1 16 . 1 1 39 39 ASP N N 568 121.881 121.881 125.399 -3.518 17519
8585 1 16 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.363 0.420 17519
8586 1 16 . 1 1 39 39 ASP C C 568 176.715 176.715 175.899 0.816 17519
8587 1 16 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.354 -0.187 17519
8588 1 16 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.625 -1.386 17519
8589 1 16 . 1 1 39 39 ASP H H 568 8.780 8.780 8.735 0.045 17519
8590 1 16 . 1 1 40 40 ALA N N 569 122.696 122.696 127.682 -4.986 17519
8591 1 16 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.379 -0.027 17519
8592 1 16 . 1 1 40 40 ALA C C 569 175.165 175.165 176.955 -1.790 17519
8593 1 16 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.664 -1.171 17519
8594 1 16 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.786 0.949 17519
8595 1 16 . 1 1 40 40 ALA H H 569 8.463 8.463 8.176 0.287 17519
8596 1 16 . 1 1 41 41 GLU N N 570 120.083 120.083 118.606 1.477 17519
8597 1 16 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.478 -0.127 17519
8598 1 16 . 1 1 41 41 GLU C C 570 174.683 174.683 176.738 -2.055 17519
8599 1 16 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.172 1.353 17519
8600 1 16 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.462 -3.231 17519
8601 1 16 . 1 1 41 41 GLU H H 570 10.398 10.398 8.757 1.641 17519
8602 1 16 . 1 1 42 42 ILE N N 571 119.363 119.363 120.302 -0.939 17519
8603 1 16 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.185 0.194 17519
8604 1 16 . 1 1 42 42 ILE C C 571 174.913 174.913 176.287 -1.374 17519
8605 1 16 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.691 -3.871 17519
8606 1 16 . 1 1 42 42 ILE CB C 571 39.586 39.586 37.961 1.625 17519
8607 1 16 . 1 1 42 42 ILE H H 571 6.526 6.526 8.198 -1.672 17519
8608 1 16 . 1 1 43 43 SER N N 572 121.258 121.258 113.698 7.560 17519
8609 1 16 . 1 1 43 43 SER HA H 572 4.352 4.352 4.484 -0.132 17519
8610 1 16 . 1 1 43 43 SER C C 572 175.617 175.617 174.367 1.250 17519
8611 1 16 . 1 1 43 43 SER CA C 572 60.125 60.125 58.893 1.232 17519
8612 1 16 . 1 1 43 43 SER CB C 572 63.063 63.063 63.093 -0.030 17519
8613 1 16 . 1 1 43 43 SER H H 572 8.618 8.618 8.234 0.384 17519
8614 1 16 . 1 1 44 44 GLY N N 573 111.836 111.836 111.617 0.219 17519
8615 1 16 . 1 1 44 44 GLY C C 573 173.828 173.828 173.287 0.541 17519
8616 1 16 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.107 -0.252 17519
8617 1 16 . 1 1 44 44 GLY H H 573 8.691 8.691 8.782 -0.091 17519
8618 1 16 . 1 1 45 45 TYR N N 574 116.297 116.297 120.722 -4.425 17519
8619 1 16 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.773 0.988 17519
8620 1 16 . 1 1 45 45 TYR C C 574 175.520 175.520 174.260 1.260 17519
8621 1 16 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.299 -0.780 17519
8622 1 16 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.865 1.052 17519
8623 1 16 . 1 1 45 45 TYR H H 574 7.854 7.854 7.520 0.334 17519
8624 1 16 . 1 1 46 46 ALA N N 575 126.117 126.117 123.658 2.459 17519
8625 1 16 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.737 0.670 17519
8626 1 16 . 1 1 46 46 ALA C C 575 176.096 176.096 174.929 1.167 17519
8627 1 16 . 1 1 46 46 ALA CA C 575 50.372 50.372 51.228 -0.856 17519
8628 1 16 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.294 3.071 17519
8629 1 16 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.294 0.416 17519
8630 1 16 . 1 1 47 47 LYS C C 576 173.794 173.794 174.654 -0.860 17519
8631 1 16 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.120 0.270 17519
8632 1 16 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.510 0.431 17519
8633 1 16 . 1 1 48 48 ILE N N 577 120.000 120.000 121.040 -1.040 17519
8634 1 16 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.661 -0.216 17519
8635 1 16 . 1 1 48 48 ILE C C 577 171.242 171.242 173.477 -2.235 17519
8636 1 16 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.191 1.189 17519
8637 1 16 . 1 1 48 48 ILE CB C 577 42.316 42.316 41.964 0.352 17519
8638 1 16 . 1 1 48 48 ILE H H 577 8.041 8.041 8.746 -0.705 17519
8639 1 16 . 1 1 49 49 THR N N 578 122.357 122.357 122.492 -0.135 17519
8640 1 16 . 1 1 49 49 THR HA H 578 5.344 5.344 5.343 0.001 17519
8641 1 16 . 1 1 49 49 THR C C 578 173.601 173.601 173.729 -0.128 17519
8642 1 16 . 1 1 49 49 THR CA C 578 61.849 61.849 60.881 0.968 17519
8643 1 16 . 1 1 49 49 THR CB C 578 70.593 70.593 70.937 -0.344 17519
8644 1 16 . 1 1 49 49 THR H H 578 8.043 8.043 8.318 -0.275 17519
8645 1 16 . 1 1 50 50 VAL N N 579 126.489 126.489 123.952 2.537 17519
8646 1 16 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.214 -0.074 17519
8647 1 16 . 1 1 50 50 VAL C C 579 174.015 174.015 174.242 -0.227 17519
8648 1 16 . 1 1 50 50 VAL CA C 579 60.252 60.252 59.757 0.495 17519
8649 1 16 . 1 1 50 50 VAL CB C 579 35.153 35.153 33.685 1.468 17519
8650 1 16 . 1 1 50 50 VAL H H 579 9.349 9.349 8.451 0.898 17519
8651 1 16 . 1 1 51 51 ASP N N 580 126.891 126.891 128.589 -1.698 17519
8652 1 16 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.163 -0.296 17519
8653 1 16 . 1 1 51 51 ASP C C 580 176.752 176.752 176.102 0.650 17519
8654 1 16 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.427 0.099 17519
8655 1 16 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.297 -0.481 17519
8656 1 16 . 1 1 51 51 ASP H H 580 8.616 8.616 8.538 0.078 17519
8657 1 16 . 1 1 52 52 ILE N N 581 118.893 118.893 118.134 0.759 17519
8658 1 16 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.569 0.019 17519
8659 1 16 . 1 1 52 52 ILE C C 581 176.717 176.717 177.460 -0.743 17519
8660 1 16 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.921 -0.820 17519
8661 1 16 . 1 1 52 52 ILE CB C 581 38.055 38.055 40.398 -2.343 17519
8662 1 16 . 1 1 52 52 ILE H H 581 8.627 8.627 8.640 -0.013 17519
8663 1 16 . 1 1 53 53 GLY N N 582 114.728 114.728 110.388 4.340 17519
8664 1 16 . 1 1 53 53 GLY C C 582 174.442 174.442 175.087 -0.645 17519
8665 1 16 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.935 0.670 17519
8666 1 16 . 1 1 53 53 GLY H H 582 9.075 9.075 8.066 1.009 17519
8667 1 16 . 1 1 54 54 SER N N 583 120.404 120.404 117.687 2.717 17519
8668 1 16 . 1 1 54 54 SER HA H 583 4.549 4.549 4.571 -0.022 17519
8669 1 16 . 1 1 54 54 SER C C 583 175.149 175.149 174.163 0.986 17519
8670 1 16 . 1 1 54 54 SER CA C 583 58.133 58.133 57.995 0.138 17519
8671 1 16 . 1 1 54 54 SER CB C 583 63.647 63.647 65.308 -1.661 17519
8672 1 16 . 1 1 54 54 SER H H 583 8.812 8.812 8.144 0.668 17519
8673 1 16 . 1 1 55 55 ALA N N 584 125.527 125.527 124.878 0.649 17519
8674 1 16 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.222 0.195 17519
8675 1 16 . 1 1 55 55 ALA C C 584 175.867 175.867 177.393 -1.526 17519
8676 1 16 . 1 1 55 55 ALA CA C 584 52.367 52.367 53.208 -0.841 17519
8677 1 16 . 1 1 55 55 ALA CB C 584 20.064 20.064 19.431 0.633 17519
8678 1 16 . 1 1 55 55 ALA H H 584 7.820 7.820 7.600 0.220 17519
8679 1 16 . 1 1 56 56 SER N N 585 109.786 109.786 114.527 -4.741 17519
8680 1 16 . 1 1 56 56 SER HA H 585 4.564 4.564 4.508 0.056 17519
8681 1 16 . 1 1 56 56 SER C C 585 173.978 173.978 173.635 0.343 17519
8682 1 16 . 1 1 56 56 SER CA C 585 58.220 58.220 58.644 -0.424 17519
8683 1 16 . 1 1 56 56 SER CB C 585 64.962 64.962 64.445 0.517 17519
8684 1 16 . 1 1 56 56 SER H H 585 8.785 8.785 8.443 0.342 17519
8685 1 16 . 1 1 57 57 GLN N N 586 116.690 116.690 120.010 -3.320 17519
8686 1 16 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.870 0.278 17519
8687 1 16 . 1 1 57 57 GLN C C 586 172.923 172.923 173.088 -0.165 17519
8688 1 16 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.479 -1.483 17519
8689 1 16 . 1 1 57 57 GLN CB C 586 34.540 34.540 33.081 1.459 17519
8690 1 16 . 1 1 57 57 GLN H H 586 7.144 7.144 7.568 -0.424 17519
8691 1 16 . 1 1 58 58 LEU N N 587 123.011 123.011 123.207 -0.196 17519
8692 1 16 . 1 1 58 58 LEU HA H 587 4.668 4.668 4.992 -0.324 17519
8693 1 16 . 1 1 58 58 LEU C C 587 173.426 173.426 174.233 -0.807 17519
8694 1 16 . 1 1 58 58 LEU CA C 587 53.378 53.378 54.289 -0.911 17519
8695 1 16 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.608 1.050 17519
8696 1 16 . 1 1 58 58 LEU H H 587 9.226 9.226 9.175 0.051 17519
8697 1 16 . 1 1 59 59 GLU N N 588 129.185 129.185 124.154 5.031 17519
8698 1 16 . 1 1 59 59 GLU HA H 588 5.309 5.309 4.946 0.363 17519
8699 1 16 . 1 1 59 59 GLU C C 588 175.409 175.409 174.610 0.799 17519
8700 1 16 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.153 0.498 17519
8701 1 16 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.917 0.131 17519
8702 1 16 . 1 1 59 59 GLU H H 588 8.830 8.830 9.095 -0.265 17519
8703 1 16 . 1 1 60 60 ALA N N 589 126.011 126.011 124.585 1.426 17519
8704 1 16 . 1 1 60 60 ALA HA H 589 5.903 5.903 4.965 0.938 17519
8705 1 16 . 1 1 60 60 ALA C C 589 174.861 174.861 175.509 -0.648 17519
8706 1 16 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.099 0.048 17519
8707 1 16 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.431 2.426 17519
8708 1 16 . 1 1 60 60 ALA H H 589 9.748 9.748 8.523 1.225 17519
8709 1 16 . 1 1 61 61 ALA N N 590 120.783 120.783 124.731 -3.948 17519
8710 1 16 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.457 0.360 17519
8711 1 16 . 1 1 61 61 ALA C C 590 174.731 174.731 174.967 -0.236 17519
8712 1 16 . 1 1 61 61 ALA CA C 590 51.128 51.128 49.478 1.650 17519
8713 1 16 . 1 1 61 61 ALA CB C 590 23.100 23.100 21.541 1.559 17519
8714 1 16 . 1 1 61 61 ALA H H 590 9.392 9.392 8.938 0.454 17519
8715 1 16 . 1 1 62 62 PHE N N 591 116.572 116.572 117.308 -0.736 17519
8716 1 16 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.720 1.287 17519
8717 1 16 . 1 1 62 62 PHE C C 591 175.059 175.059 174.054 1.005 17519
8718 1 16 . 1 1 62 62 PHE CA C 591 56.456 56.456 53.963 2.493 17519
8719 1 16 . 1 1 62 62 PHE CB C 591 43.323 43.323 40.905 2.418 17519
8720 1 16 . 1 1 62 62 PHE H H 591 8.394 8.394 7.905 0.489 17519
8721 1 16 . 1 1 63 63 ASN N N 592 116.166 116.166 119.658 -3.492 17519
8722 1 16 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.255 -0.091 17519
8723 1 16 . 1 1 63 63 ASN C C 592 172.073 172.073 175.067 -2.994 17519
8724 1 16 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.727 2.000 17519
8725 1 16 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.201 0.031 17519
8726 1 16 . 1 1 63 63 ASN H H 592 9.117 9.117 8.592 0.525 17519
8727 1 16 . 1 1 64 64 ASP N N 593 118.039 118.039 121.585 -3.546 17519
8728 1 16 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.492 -0.273 17519
8729 1 16 . 1 1 64 64 ASP C C 593 177.248 177.248 176.982 0.266 17519
8730 1 16 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.229 -2.978 17519
8731 1 16 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.292 -0.570 17519
8732 1 16 . 1 1 64 64 ASP H H 593 7.558 7.558 8.472 -0.914 17519
8733 1 16 . 1 1 65 65 GLY N N 594 110.622 110.622 107.669 2.953 17519
8734 1 16 . 1 1 65 65 GLY C C 594 173.126 173.126 173.845 -0.719 17519
8735 1 16 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.272 0.257 17519
8736 1 16 . 1 1 65 65 GLY H H 594 8.742 8.742 8.485 0.257 17519
8737 1 16 . 1 1 66 66 ASN N N 595 120.863 120.863 117.526 3.337 17519
8738 1 16 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.829 -0.072 17519
8739 1 16 . 1 1 66 66 ASN C C 595 174.434 174.434 174.823 -0.389 17519
8740 1 16 . 1 1 66 66 ASN CA C 595 52.167 52.167 54.217 -2.050 17519
8741 1 16 . 1 1 66 66 ASN CB C 595 39.388 39.388 40.066 -0.678 17519
8742 1 16 . 1 1 66 66 ASN H H 595 8.424 8.424 8.314 0.110 17519
8743 1 16 . 1 1 67 67 ASN N N 596 113.308 113.308 115.245 -1.937 17519
8744 1 16 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.698 -0.468 17519
8745 1 16 . 1 1 67 67 ASN C C 596 173.796 173.796 174.238 -0.442 17519
8746 1 16 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.320 0.105 17519
8747 1 16 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.880 -1.727 17519
8748 1 16 . 1 1 67 67 ASN H H 596 8.744 8.744 8.516 0.228 17519
8749 1 16 . 1 1 68 68 ASN N N 597 118.418 118.418 121.586 -3.168 17519
8750 1 16 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.607 0.511 17519
8751 1 16 . 1 1 68 68 ASN C C 597 173.474 173.474 174.031 -0.557 17519
8752 1 16 . 1 1 68 68 ASN CA C 597 53.138 53.138 54.379 -1.241 17519
8753 1 16 . 1 1 68 68 ASN CB C 597 38.622 38.622 37.866 0.756 17519
8754 1 16 . 1 1 68 68 ASN H H 597 8.032 8.032 8.230 -0.198 17519
8755 1 16 . 1 1 69 69 TRP N N 598 120.990 120.990 124.403 -3.413 17519
8756 1 16 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.346 -0.490 17519
8757 1 16 . 1 1 69 69 TRP C C 598 176.220 176.220 176.125 0.095 17519
8758 1 16 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.071 1.162 17519
8759 1 16 . 1 1 69 69 TRP CB C 598 32.219 32.219 32.397 -0.178 17519
8760 1 16 . 1 1 69 69 TRP H H 598 8.842 8.842 8.390 0.452 17519
8761 1 16 . 1 1 70 70 ASP N N 599 122.210 122.210 121.489 0.721 17519
8762 1 16 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.065 0.182 17519
8763 1 16 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.113 -0.867 17519
8764 1 16 . 1 1 70 70 ASP CB C 599 41.898 41.898 42.318 -0.420 17519
8765 1 16 . 1 1 70 70 ASP H H 599 9.831 9.831 8.669 1.162 17519
8766 1 16 . 1 1 71 71 SER N N 600 117.252 117.252 116.681 0.571 17519
8767 1 16 . 1 1 71 71 SER HA H 600 5.141 5.141 3.884 1.257 17519
8768 1 16 . 1 1 71 71 SER CA C 600 55.907 55.907 60.428 -4.521 17519
8769 1 16 . 1 1 71 71 SER H H 600 9.328 9.328 8.575 0.753 17519
8770 1 16 . 1 1 72 72 ASN N N 601 123.197 123.197 117.209 5.988 17519
8771 1 16 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.710 -0.281 17519
8772 1 16 . 1 1 72 72 ASN C C 601 176.895 176.895 174.168 2.727 17519
8773 1 16 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.524 -1.431 17519
8774 1 16 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.517 0.633 17519
8775 1 16 . 1 1 72 72 ASN H H 601 8.715 8.715 8.604 0.111 17519
8776 1 16 . 1 1 73 73 ASN N N 602 116.099 116.099 114.533 1.566 17519
8777 1 16 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.651 -0.207 17519
8778 1 16 . 1 1 73 73 ASN C C 602 176.304 176.304 173.860 2.444 17519
8779 1 16 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.281 0.184 17519
8780 1 16 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.806 -1.529 17519
8781 1 16 . 1 1 73 73 ASN H H 602 9.184 9.184 8.331 0.853 17519
8782 1 16 . 1 1 74 74 THR N N 603 110.445 110.445 113.559 -3.114 17519
8783 1 16 . 1 1 74 74 THR HA H 603 3.835 3.835 4.370 -0.535 17519
8784 1 16 . 1 1 74 74 THR C C 603 173.186 173.186 172.331 0.855 17519
8785 1 16 . 1 1 74 74 THR CA C 603 65.006 65.006 62.683 2.323 17519
8786 1 16 . 1 1 74 74 THR CB C 603 69.653 69.653 69.051 0.602 17519
8787 1 16 . 1 1 74 74 THR H H 603 7.829 7.829 7.753 0.076 17519
8788 1 16 . 1 1 75 75 LYS N N 604 121.909 121.909 121.110 0.799 17519
8789 1 16 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.489 -0.352 17519
8790 1 16 . 1 1 75 75 LYS C C 604 177.262 177.262 175.624 1.638 17519
8791 1 16 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.791 1.976 17519
8792 1 16 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.796 -0.420 17519
8793 1 16 . 1 1 75 75 LYS H H 604 7.714 7.714 7.875 -0.161 17519
8794 1 16 . 1 1 76 76 ASN N N 605 108.823 108.823 117.981 -9.158 17519
8795 1 16 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.151 -0.211 17519
8796 1 16 . 1 1 76 76 ASN C C 605 171.742 171.742 174.897 -3.155 17519
8797 1 16 . 1 1 76 76 ASN CA C 605 54.159 54.159 53.480 0.679 17519
8798 1 16 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.697 0.330 17519
8799 1 16 . 1 1 76 76 ASN H H 605 8.274 8.274 8.069 0.205 17519
8800 1 16 . 1 1 77 77 TYR N N 606 117.628 117.628 117.066 0.562 17519
8801 1 16 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.496 0.331 17519
8802 1 16 . 1 1 77 77 TYR C C 606 174.468 174.468 174.597 -0.129 17519
8803 1 16 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.163 0.406 17519
8804 1 16 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.072 1.483 17519
8805 1 16 . 1 1 77 77 TYR H H 606 9.055 9.055 8.202 0.853 17519
8806 1 16 . 1 1 78 78 LEU N N 607 121.811 121.811 120.352 1.459 17519
8807 1 16 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.419 0.884 17519
8808 1 16 . 1 1 78 78 LEU C C 607 175.673 175.673 175.245 0.428 17519
8809 1 16 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.217 -0.973 17519
8810 1 16 . 1 1 78 78 LEU CB C 607 43.971 43.971 43.506 0.465 17519
8811 1 16 . 1 1 78 78 LEU H H 607 7.983 7.983 8.007 -0.024 17519
8812 1 16 . 1 1 79 79 PHE N N 608 121.390 121.390 122.622 -1.232 17519
8813 1 16 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.924 -0.097 17519
8814 1 16 . 1 1 79 79 PHE C C 608 175.786 175.786 173.851 1.935 17519
8815 1 16 . 1 1 79 79 PHE CA C 608 56.851 56.851 57.042 -0.191 17519
8816 1 16 . 1 1 79 79 PHE CB C 608 42.563 42.563 43.317 -0.754 17519
8817 1 16 . 1 1 79 79 PHE H H 608 9.240 9.240 8.848 0.392 17519
8818 1 16 . 1 1 80 80 SER N N 609 117.589 117.589 114.973 2.616 17519
8819 1 16 . 1 1 80 80 SER HA H 609 4.979 4.979 4.895 0.084 17519
8820 1 16 . 1 1 80 80 SER C C 609 173.269 173.269 174.230 -0.961 17519
8821 1 16 . 1 1 80 80 SER CA C 609 57.811 57.811 56.423 1.388 17519
8822 1 16 . 1 1 80 80 SER CB C 609 64.856 64.856 64.981 -0.125 17519
8823 1 16 . 1 1 80 80 SER H H 609 8.948 8.948 8.550 0.398 17519
8824 1 16 . 1 1 81 81 THR N N 610 112.845 112.845 114.072 -1.227 17519
8825 1 16 . 1 1 81 81 THR HA H 610 3.871 3.871 4.060 -0.189 17519
8826 1 16 . 1 1 81 81 THR C C 610 174.439 174.439 175.076 -0.637 17519
8827 1 16 . 1 1 81 81 THR CA C 610 64.353 64.353 63.574 0.779 17519
8828 1 16 . 1 1 81 81 THR CB C 610 69.421 69.421 69.122 0.299 17519
8829 1 16 . 1 1 82 82 GLY N N 611 112.157 112.157 112.009 0.148 17519
8830 1 16 . 1 1 82 82 GLY C C 611 174.430 174.430 172.721 1.709 17519
8831 1 16 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.712 -0.846 17519
8832 1 16 . 1 1 82 82 GLY H H 611 8.468 8.468 8.012 0.456 17519
8833 1 16 . 1 1 83 83 THR N N 612 120.992 120.992 119.417 1.575 17519
8834 1 16 . 1 1 83 83 THR HA H 612 5.483 5.483 5.166 0.317 17519
8835 1 16 . 1 1 83 83 THR C C 612 174.819 174.819 173.569 1.250 17519
8836 1 16 . 1 1 83 83 THR CA C 612 62.563 62.563 61.405 1.158 17519
8837 1 16 . 1 1 83 83 THR CB C 612 70.093 70.093 71.125 -1.032 17519
8838 1 16 . 1 1 83 83 THR H H 612 8.736 8.736 8.237 0.499 17519
8839 1 16 . 1 1 84 84 SER N N 613 122.602 122.602 121.654 0.948 17519
8840 1 16 . 1 1 84 84 SER HA H 613 5.489 5.489 4.911 0.578 17519
8841 1 16 . 1 1 84 84 SER C C 613 172.064 172.064 172.992 -0.928 17519
8842 1 16 . 1 1 84 84 SER CA C 613 58.813 58.813 57.090 1.724 17519
8843 1 16 . 1 1 84 84 SER CB C 613 67.694 67.694 66.316 1.378 17519
8844 1 16 . 1 1 84 84 SER H H 613 9.051 9.051 9.234 -0.183 17519
8845 1 16 . 1 1 85 85 THR N N 614 117.759 117.759 117.860 -0.101 17519
8846 1 16 . 1 1 85 85 THR HA H 614 5.256 5.256 5.150 0.106 17519
8847 1 16 . 1 1 85 85 THR C C 614 173.632 173.632 173.020 0.612 17519
8848 1 16 . 1 1 85 85 THR CA C 614 62.724 62.724 62.358 0.366 17519
8849 1 16 . 1 1 85 85 THR CB C 614 70.908 70.908 71.005 -0.097 17519
8850 1 16 . 1 1 85 85 THR H H 614 9.523 9.523 8.739 0.784 17519
8851 1 16 . 1 1 86 86 TYR N N 615 131.519 131.519 129.441 2.078 17519
8852 1 16 . 1 1 86 86 TYR HA H 615 5.213 5.213 5.171 0.042 17519
8853 1 16 . 1 1 86 86 TYR C C 615 172.999 172.999 173.546 -0.547 17519
8854 1 16 . 1 1 86 86 TYR CA C 615 57.163 57.163 55.160 2.003 17519
8855 1 16 . 1 1 86 86 TYR CB C 615 41.569 41.569 39.651 1.918 17519
8856 1 16 . 1 1 86 86 TYR H H 615 10.029 10.029 9.448 0.581 17519
8857 1 16 . 1 1 87 87 THR N N 616 124.674 124.674 123.864 0.810 17519
8858 1 16 . 1 1 87 87 THR HA H 616 4.370 4.370 4.526 -0.156 17519
8859 1 16 . 1 1 87 87 THR CA C 616 58.725 58.725 59.389 -0.664 17519
8860 1 16 . 1 1 87 87 THR CB C 616 70.070 70.070 69.832 0.238 17519
8861 1 16 . 1 1 87 87 THR H H 616 8.027 8.027 9.169 -1.142 17519
8862 1 16 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.809 -0.717 17519
8863 1 16 . 1 1 88 88 PRO C C 617 177.011 177.011 176.716 0.295 17519
8864 1 16 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.241 0.646 17519
8865 1 16 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.935 -0.611 17519
8866 1 16 . 1 1 89 89 GLY N N 618 108.881 108.881 106.954 1.927 17519
8867 1 16 . 1 1 89 89 GLY C C 618 173.673 173.673 174.626 -0.953 17519
8868 1 16 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.263 -0.267 17519
8869 1 16 . 1 1 89 89 GLY H H 618 8.261 8.261 8.190 0.071 17519
8870 1 16 . 1 1 90 90 SER N N 619 114.743 114.743 113.687 1.056 17519
8871 1 16 . 1 1 90 90 SER HA H 619 4.537 4.537 4.557 -0.020 17519
8872 1 16 . 1 1 90 90 SER C C 619 175.706 175.706 174.285 1.421 17519
8873 1 16 . 1 1 90 90 SER CA C 619 57.617 57.617 58.665 -1.048 17519
8874 1 16 . 1 1 90 90 SER CB C 619 64.294 64.294 63.760 0.534 17519
8875 1 16 . 1 1 90 90 SER H H 619 8.380 8.380 8.372 0.008 17519
8876 1 16 . 1 1 91 91 ASN N N 620 121.360 121.360 120.667 0.693 17519
8877 1 16 . 1 1 91 91 ASN HA H 620 4.412 4.412 5.003 -0.591 17519
8878 1 16 . 1 1 91 91 ASN C C 620 175.289 175.289 175.908 -0.619 17519
8879 1 16 . 1 1 91 91 ASN CA C 620 54.353 54.353 52.372 1.981 17519
8880 1 16 . 1 1 91 91 ASN CB C 620 37.733 37.733 39.470 -1.737 17519
8881 1 16 . 1 1 91 91 ASN H H 620 9.296 9.296 7.788 1.508 17519
8882 1 16 . 1 1 92 92 GLY N N 621 105.883 105.883 108.700 -2.817 17519
8883 1 16 . 1 1 92 92 GLY C C 621 174.510 174.510 173.285 1.225 17519
8884 1 16 . 1 1 92 92 GLY CA C 621 45.229 45.229 44.995 0.234 17519
8885 1 16 . 1 1 92 92 GLY H H 621 8.528 8.528 8.548 -0.020 17519
8886 1 16 . 1 1 93 93 ALA N N 622 123.803 123.803 123.676 0.127 17519
8887 1 16 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.686 -0.270 17519
8888 1 16 . 1 1 93 93 ALA C C 622 176.820 176.820 176.616 0.204 17519
8889 1 16 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.441 1.410 17519
8890 1 16 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.269 -0.465 17519
8891 1 16 . 1 1 93 93 ALA H H 622 7.486 7.486 7.531 -0.045 17519
8892 1 16 . 1 1 94 94 ALA N N 623 123.284 123.284 127.589 -4.305 17519
8893 1 16 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.494 0.096 17519
8894 1 16 . 1 1 94 94 ALA C C 623 178.770 178.770 177.901 0.869 17519
8895 1 16 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.124 -0.497 17519
8896 1 16 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.534 0.553 17519
8897 1 16 . 1 1 94 94 ALA H H 623 8.397 8.397 8.647 -0.250 17519
8898 1 16 . 1 1 95 95 GLY N N 624 108.970 108.970 110.537 -1.567 17519
8899 1 16 . 1 1 95 95 GLY C C 624 173.156 173.156 173.784 -0.628 17519
8900 1 16 . 1 1 95 95 GLY CA C 624 44.857 44.857 45.057 -0.200 17519
8901 1 16 . 1 1 95 95 GLY H H 624 8.438 8.438 8.967 -0.529 17519
8902 1 16 . 1 1 96 96 THR N N 625 108.929 108.929 111.308 -2.379 17519
8903 1 16 . 1 1 96 96 THR HA H 625 4.603 4.603 4.619 -0.016 17519
8904 1 16 . 1 1 96 96 THR C C 625 172.765 172.765 172.723 0.042 17519
8905 1 16 . 1 1 96 96 THR CA C 625 60.350 60.350 60.946 -0.596 17519
8906 1 16 . 1 1 96 96 THR CB C 625 72.295 72.295 72.078 0.217 17519
8907 1 16 . 1 1 96 96 THR H H 625 7.833 7.833 8.485 -0.652 17519
8908 1 16 . 1 1 97 97 ILE N N 626 123.623 123.623 119.494 4.129 17519
8909 1 16 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.328 -0.511 17519
8910 1 16 . 1 1 97 97 ILE C C 626 175.596 175.596 175.315 0.281 17519
8911 1 16 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.915 1.134 17519
8912 1 16 . 1 1 97 97 ILE CB C 626 41.178 41.178 40.006 1.172 17519
8913 1 16 . 1 1 97 97 ILE H H 626 8.594 8.594 8.270 0.324 17519
8914 1 16 . 1 1 98 98 ARG N N 627 127.431 127.431 127.786 -0.355 17519
8915 1 16 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.696 0.239 17519
8916 1 16 . 1 1 98 98 ARG C C 627 175.183 175.183 175.474 -0.291 17519
8917 1 16 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.218 -0.450 17519
8918 1 16 . 1 1 98 98 ARG CB C 627 33.776 33.776 33.067 0.709 17519
8919 1 16 . 1 1 98 98 ARG H H 627 8.979 8.979 9.076 -0.097 17519
8920 1 16 . 1 1 99 99 THR N N 628 118.452 118.452 118.944 -0.492 17519
8921 1 16 . 1 1 99 99 THR HA H 628 4.410 4.410 4.231 0.179 17519
8922 1 16 . 1 1 99 99 THR C C 628 174.845 174.845 174.781 0.064 17519
8923 1 16 . 1 1 99 99 THR CA C 628 63.962 63.962 62.248 1.714 17519
8924 1 16 . 1 1 99 99 THR CB C 628 69.488 69.488 68.971 0.517 17519
8925 1 16 . 1 1 99 99 THR H H 628 8.697 8.697 8.411 0.286 17519
8926 1 16 . 1 1 100 100 GLY N N 629 114.137 114.137 110.502 3.635 17519
8927 1 16 . 1 1 100 100 GLY C C 629 171.903 171.903 172.526 -0.623 17519
8928 1 16 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.226 -0.479 17519
8929 1 16 . 1 1 100 100 GLY H H 629 8.626 8.626 7.907 0.719 17519
8930 1 16 . 1 1 101 101 ALA N N 630 120.627 120.627 125.021 -4.394 17519
8931 1 16 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.195 -0.503 17519
8932 1 16 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.770 -1.342 17519
8933 1 16 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.780 -0.709 17519
8934 1 16 . 1 1 101 101 ALA H H 630 7.980 7.980 8.269 -0.289 17519
8935 1 16 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.236 -0.111 17519
8936 1 16 . 1 1 102 102 PRO C C 631 175.721 175.721 176.670 -0.949 17519
8937 1 16 . 1 1 102 102 PRO CA C 631 62.940 62.940 61.913 1.027 17519
8938 1 16 . 1 1 102 102 PRO CB C 631 31.745 31.745 31.929 -0.184 17519
8939 1 16 . 1 1 103 103 SER N N 632 113.689 113.689 112.005 1.684 17519
8940 1 16 . 1 1 103 103 SER HA H 632 4.295 4.295 3.967 0.328 17519
8941 1 16 . 1 1 103 103 SER C C 632 173.816 173.816 173.671 0.145 17519
8942 1 16 . 1 1 103 103 SER CA C 632 57.689 57.689 59.207 -1.518 17519
8943 1 16 . 1 1 103 103 SER CB C 632 64.133 64.133 61.795 2.338 17519
8944 1 16 . 1 1 103 103 SER H H 632 7.969 7.969 8.540 -0.571 17519
8945 1 17 . 1 1 2 2 GLY C C 531 174.309 174.309 173.629 0.680 17519
8946 1 17 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.939 -0.763 17519
8947 1 17 . 1 1 3 3 THR N N 532 113.802 113.802 115.531 -1.729 17519
8948 1 17 . 1 1 3 3 THR HA H 532 4.429 4.429 4.492 -0.063 17519
8949 1 17 . 1 1 3 3 THR C C 532 174.430 174.430 172.902 1.528 17519
8950 1 17 . 1 1 3 3 THR CA C 532 61.577 61.577 60.614 0.963 17519
8951 1 17 . 1 1 3 3 THR CB C 532 69.849 69.849 70.964 -1.115 17519
8952 1 17 . 1 1 3 3 THR H H 532 8.140 8.140 7.848 0.292 17519
8953 1 17 . 1 1 4 4 THR N N 533 115.407 115.407 116.045 -0.638 17519
8954 1 17 . 1 1 4 4 THR HA H 533 4.350 4.350 4.493 -0.143 17519
8955 1 17 . 1 1 4 4 THR C C 533 173.831 173.831 173.073 0.758 17519
8956 1 17 . 1 1 4 4 THR CA C 533 60.266 60.266 61.791 -1.525 17519
8957 1 17 . 1 1 4 4 THR CB C 533 69.788 69.788 70.050 -0.262 17519
8958 1 17 . 1 1 4 4 THR H H 533 8.019 8.019 8.285 -0.266 17519
8959 1 17 . 1 1 5 5 ASN N N 534 121.822 121.822 124.785 -2.963 17519
8960 1 17 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.074 -0.238 17519
8961 1 17 . 1 1 5 5 ASN C C 534 174.057 174.057 174.029 0.028 17519
8962 1 17 . 1 1 5 5 ASN CA C 534 52.686 52.686 51.861 0.825 17519
8963 1 17 . 1 1 5 5 ASN CB C 534 39.156 39.156 41.398 -2.242 17519
8964 1 17 . 1 1 5 5 ASN H H 534 8.863 8.863 8.589 0.274 17519
8965 1 17 . 1 1 6 6 LYS N N 535 119.369 119.369 117.775 1.594 17519
8966 1 17 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.904 0.281 17519
8967 1 17 . 1 1 6 6 LYS C C 535 175.924 175.924 175.011 0.913 17519
8968 1 17 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.293 -0.762 17519
8969 1 17 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.054 -0.038 17519
8970 1 17 . 1 1 6 6 LYS H H 535 8.347 8.347 8.301 0.046 17519
8971 1 17 . 1 1 7 7 VAL N N 536 123.112 123.112 121.227 1.885 17519
8972 1 17 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.485 0.088 17519
8973 1 17 . 1 1 7 7 VAL C C 536 174.602 174.602 175.508 -0.906 17519
8974 1 17 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.245 0.900 17519
8975 1 17 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.142 2.631 17519
8976 1 17 . 1 1 7 7 VAL H H 536 8.828 8.828 9.102 -0.274 17519
8977 1 17 . 1 1 8 8 THR N N 537 125.255 125.255 124.813 0.442 17519
8978 1 17 . 1 1 8 8 THR HA H 537 5.396 5.396 5.251 0.145 17519
8979 1 17 . 1 1 8 8 THR C C 537 173.129 173.129 173.805 -0.676 17519
8980 1 17 . 1 1 8 8 THR CA C 537 61.611 61.611 61.816 -0.205 17519
8981 1 17 . 1 1 8 8 THR CB C 537 70.113 70.113 69.750 0.363 17519
8982 1 17 . 1 1 8 8 THR H H 537 8.914 8.914 8.732 0.182 17519
8983 1 17 . 1 1 9 9 VAL N N 538 126.696 126.696 126.915 -0.219 17519
8984 1 17 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.849 -0.315 17519
8985 1 17 . 1 1 9 9 VAL C C 538 175.565 175.565 174.536 1.029 17519
8986 1 17 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.983 -0.104 17519
8987 1 17 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.438 0.741 17519
8988 1 17 . 1 1 9 9 VAL H H 538 8.585 8.585 8.907 -0.322 17519
8989 1 17 . 1 1 10 10 TYR N N 539 124.488 124.488 127.460 -2.972 17519
8990 1 17 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.201 0.057 17519
8991 1 17 . 1 1 10 10 TYR C C 539 174.309 174.309 174.769 -0.460 17519
8992 1 17 . 1 1 10 10 TYR CA C 539 57.266 57.266 57.086 0.180 17519
8993 1 17 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.993 -0.584 17519
8994 1 17 . 1 1 10 10 TYR H H 539 9.111 9.111 9.072 0.039 17519
8995 1 17 . 1 1 11 11 TYR N N 540 125.848 125.848 125.177 0.671 17519
8996 1 17 . 1 1 11 11 TYR HA H 540 5.026 5.026 4.992 0.034 17519
8997 1 17 . 1 1 11 11 TYR C C 540 173.346 173.346 173.684 -0.338 17519
8998 1 17 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.177 2.425 17519
8999 1 17 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.048 0.910 17519
9000 1 17 . 1 1 11 11 TYR H H 540 9.580 9.580 8.694 0.886 17519
9001 1 17 . 1 1 12 12 LYS N N 541 131.489 131.489 127.574 3.915 17519
9002 1 17 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.825 -0.373 17519
9003 1 17 . 1 1 12 12 LYS C C 541 172.904 172.904 174.609 -1.705 17519
9004 1 17 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.828 0.887 17519
9005 1 17 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.876 0.221 17519
9006 1 17 . 1 1 12 12 LYS H H 541 8.406 8.406 8.368 0.038 17519
9007 1 17 . 1 1 13 13 LYS N N 542 125.132 125.132 125.854 -0.722 17519
9008 1 17 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.960 -0.022 17519
9009 1 17 . 1 1 13 13 LYS C C 542 180.078 180.078 175.770 4.308 17519
9010 1 17 . 1 1 13 13 LYS CA C 542 52.436 52.436 55.604 -3.168 17519
9011 1 17 . 1 1 13 13 LYS CB C 542 31.605 31.605 33.148 -1.542 17519
9012 1 17 . 1 1 13 13 LYS H H 542 7.515 7.515 7.345 0.170 17519
9013 1 17 . 1 1 14 14 GLY N N 543 112.724 112.724 111.219 1.505 17519
9014 1 17 . 1 1 14 14 GLY C C 543 174.151 174.151 173.152 0.999 17519
9015 1 17 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.526 1.764 17519
9016 1 17 . 1 1 14 14 GLY H H 543 7.629 7.629 8.006 -0.377 17519
9017 1 17 . 1 1 15 15 PHE N N 544 121.583 121.583 120.287 1.296 17519
9018 1 17 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.781 -0.059 17519
9019 1 17 . 1 1 15 15 PHE C C 544 175.876 175.876 176.323 -0.447 17519
9020 1 17 . 1 1 15 15 PHE CA C 544 57.110 57.110 57.188 -0.078 17519
9021 1 17 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.189 -1.798 17519
9022 1 17 . 1 1 15 15 PHE H H 544 8.557 8.557 8.604 -0.047 17519
9023 1 17 . 1 1 16 16 ASN N N 545 117.559 117.559 117.646 -0.087 17519
9024 1 17 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.820 -0.356 17519
9025 1 17 . 1 1 16 16 ASN C C 545 176.289 176.289 173.938 2.351 17519
9026 1 17 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.764 2.656 17519
9027 1 17 . 1 1 16 16 ASN CB C 545 39.263 39.263 38.690 0.573 17519
9028 1 17 . 1 1 16 16 ASN H H 545 8.561 8.561 8.699 -0.138 17519
9029 1 17 . 1 1 17 17 SER N N 546 112.901 112.901 112.209 0.692 17519
9030 1 17 . 1 1 17 17 SER HA H 546 4.862 4.862 4.645 0.217 17519
9031 1 17 . 1 1 17 17 SER CA C 546 53.586 53.586 56.706 -3.120 17519
9032 1 17 . 1 1 17 17 SER CB C 546 63.708 63.708 63.069 0.639 17519
9033 1 17 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.499 0.094 17519
9034 1 17 . 1 1 18 18 PRO C C 547 175.806 175.806 175.340 0.466 17519
9035 1 17 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.698 -0.177 17519
9036 1 17 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.439 0.224 17519
9037 1 17 . 1 1 19 19 TYR N N 548 122.230 122.230 120.133 2.097 17519
9038 1 17 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.644 0.233 17519
9039 1 17 . 1 1 19 19 TYR C C 548 174.660 174.660 174.147 0.513 17519
9040 1 17 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.378 -0.718 17519
9041 1 17 . 1 1 19 19 TYR CB C 548 40.462 40.462 43.171 -2.709 17519
9042 1 17 . 1 1 19 19 TYR H H 548 9.141 9.141 7.884 1.257 17519
9043 1 17 . 1 1 20 20 ILE N N 549 118.425 118.425 120.593 -2.168 17519
9044 1 17 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.957 0.115 17519
9045 1 17 . 1 1 20 20 ILE C C 549 171.422 171.422 173.177 -1.755 17519
9046 1 17 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.897 -0.468 17519
9047 1 17 . 1 1 20 20 ILE CB C 549 41.756 41.756 42.139 -0.383 17519
9048 1 17 . 1 1 21 21 HIS N N 550 133.248 133.248 126.836 6.412 17519
9049 1 17 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.727 0.636 17519
9050 1 17 . 1 1 21 21 HIS C C 550 174.988 174.988 173.248 1.740 17519
9051 1 17 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.150 -0.235 17519
9052 1 17 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.606 2.168 17519
9053 1 17 . 1 1 21 21 HIS H H 550 8.956 8.956 8.333 0.623 17519
9054 1 17 . 1 1 22 22 TYR N N 551 121.831 121.831 122.587 -0.756 17519
9055 1 17 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.507 0.676 17519
9056 1 17 . 1 1 22 22 TYR C C 551 173.934 173.934 173.354 0.580 17519
9057 1 17 . 1 1 22 22 TYR CA C 551 56.668 56.668 55.025 1.643 17519
9058 1 17 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.408 1.310 17519
9059 1 17 . 1 1 22 22 TYR H H 551 8.204 8.204 8.129 0.075 17519
9060 1 17 . 1 1 23 23 ARG N N 552 115.619 115.619 118.205 -2.586 17519
9061 1 17 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.825 -0.063 17519
9062 1 17 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.413 0.067 17519
9063 1 17 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.063 -1.025 17519
9064 1 17 . 1 1 23 23 ARG H H 552 8.674 8.674 8.973 -0.299 17519
9065 1 17 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.411 0.145 17519
9066 1 17 . 1 1 24 24 PRO C C 553 176.736 176.736 176.115 0.621 17519
9067 1 17 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.486 -0.134 17519
9068 1 17 . 1 1 24 24 PRO CB C 553 31.880 31.880 31.968 -0.088 17519
9069 1 17 . 1 1 25 25 ALA N N 554 125.908 125.908 125.791 0.117 17519
9070 1 17 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.843 0.179 17519
9071 1 17 . 1 1 25 25 ALA C C 554 179.217 179.217 177.588 1.629 17519
9072 1 17 . 1 1 25 25 ALA CA C 554 54.085 54.085 52.737 1.348 17519
9073 1 17 . 1 1 25 25 ALA CB C 554 18.232 18.232 16.746 1.486 17519
9074 1 17 . 1 1 25 25 ALA H H 554 8.293 8.293 8.285 0.008 17519
9075 1 17 . 1 1 26 26 GLY N N 555 111.766 111.766 108.955 2.811 17519
9076 1 17 . 1 1 26 26 GLY C C 555 174.796 174.796 174.010 0.786 17519
9077 1 17 . 1 1 26 26 GLY CA C 555 45.641 45.641 45.637 0.004 17519
9078 1 17 . 1 1 26 26 GLY H H 555 8.602 8.602 8.244 0.358 17519
9079 1 17 . 1 1 27 27 GLY N N 556 109.512 109.512 109.002 0.510 17519
9080 1 17 . 1 1 27 27 GLY C C 556 173.368 173.368 172.934 0.434 17519
9081 1 17 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.503 -0.297 17519
9082 1 17 . 1 1 27 27 GLY H H 556 8.494 8.494 8.031 0.463 17519
9083 1 17 . 1 1 28 28 SER N N 557 117.962 117.962 116.694 1.268 17519
9084 1 17 . 1 1 28 28 SER HA H 557 4.690 4.690 4.583 0.107 17519
9085 1 17 . 1 1 28 28 SER C C 557 173.656 173.656 173.531 0.125 17519
9086 1 17 . 1 1 28 28 SER CA C 557 57.492 57.492 56.733 0.759 17519
9087 1 17 . 1 1 28 28 SER CB C 557 64.803 64.803 64.788 0.015 17519
9088 1 17 . 1 1 28 28 SER H H 557 8.681 8.681 7.792 0.889 17519
9089 1 17 . 1 1 29 29 TRP N N 558 123.928 123.928 125.767 -1.839 17519
9090 1 17 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.698 -0.246 17519
9091 1 17 . 1 1 29 29 TRP C C 558 178.891 178.891 176.887 2.004 17519
9092 1 17 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.671 1.403 17519
9093 1 17 . 1 1 29 29 TRP CB C 558 30.706 30.706 29.721 0.985 17519
9094 1 17 . 1 1 29 29 TRP H H 558 8.392 8.392 8.642 -0.250 17519
9095 1 17 . 1 1 30 30 THR N N 559 111.067 111.067 120.277 -9.210 17519
9096 1 17 . 1 1 30 30 THR HA H 559 4.037 4.037 4.195 -0.158 17519
9097 1 17 . 1 1 30 30 THR C C 559 174.782 174.782 174.707 0.075 17519
9098 1 17 . 1 1 30 30 THR CA C 559 61.321 61.321 63.770 -2.449 17519
9099 1 17 . 1 1 30 30 THR CB C 559 70.561 70.561 69.813 0.748 17519
9100 1 17 . 1 1 30 30 THR H H 559 7.953 7.953 8.402 -0.449 17519
9101 1 17 . 1 1 31 31 ALA N N 560 123.046 123.046 123.402 -0.356 17519
9102 1 17 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.158 0.293 17519
9103 1 17 . 1 1 31 31 ALA C C 560 178.493 178.493 176.693 1.800 17519
9104 1 17 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.434 -0.520 17519
9105 1 17 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.816 -0.817 17519
9106 1 17 . 1 1 31 31 ALA H H 560 8.437 8.437 8.383 0.054 17519
9107 1 17 . 1 1 32 32 ALA N N 561 129.644 129.644 127.607 2.037 17519
9108 1 17 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.970 -0.029 17519
9109 1 17 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.785 1.971 17519
9110 1 17 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.448 -2.298 17519
9111 1 17 . 1 1 32 32 ALA H H 561 8.828 8.828 8.262 0.566 17519
9112 1 17 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.230 -0.332 17519
9113 1 17 . 1 1 33 33 PRO C C 562 173.280 173.280 176.674 -3.394 17519
9114 1 17 . 1 1 33 33 PRO CA C 562 63.439 63.439 61.933 1.506 17519
9115 1 17 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.291 0.220 17519
9116 1 17 . 1 1 34 34 GLY N N 563 112.224 112.224 110.248 1.976 17519
9117 1 17 . 1 1 34 34 GLY C C 563 173.977 173.977 174.458 -0.481 17519
9118 1 17 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.033 -2.084 17519
9119 1 17 . 1 1 34 34 GLY H H 563 8.763 8.763 7.738 1.025 17519
9120 1 17 . 1 1 35 35 VAL N N 564 123.427 123.427 118.544 4.883 17519
9121 1 17 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.517 -0.116 17519
9122 1 17 . 1 1 35 35 VAL C C 564 174.734 174.734 174.752 -0.018 17519
9123 1 17 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.897 0.991 17519
9124 1 17 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.414 -0.513 17519
9125 1 17 . 1 1 36 36 LYS N N 565 128.212 128.212 123.556 4.656 17519
9126 1 17 . 1 1 36 36 LYS HA H 565 3.109 3.109 4.101 -0.992 17519
9127 1 17 . 1 1 36 36 LYS C C 565 176.437 176.437 176.374 0.063 17519
9128 1 17 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.475 1.712 17519
9129 1 17 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.200 0.214 17519
9130 1 17 . 1 1 36 36 LYS H H 565 8.486 8.486 8.434 0.052 17519
9131 1 17 . 1 1 37 37 MET N N 566 124.964 124.964 124.658 0.306 17519
9132 1 17 . 1 1 37 37 MET HA H 566 4.228 4.228 4.229 -0.001 17519
9133 1 17 . 1 1 37 37 MET C C 566 175.652 175.652 175.916 -0.264 17519
9134 1 17 . 1 1 37 37 MET CA C 566 56.485 56.485 57.036 -0.551 17519
9135 1 17 . 1 1 37 37 MET CB C 566 35.011 35.011 33.009 2.002 17519
9136 1 17 . 1 1 37 37 MET H H 566 8.202 8.202 8.753 -0.551 17519
9137 1 17 . 1 1 38 38 GLN N N 567 121.561 121.561 125.445 -3.884 17519
9138 1 17 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.442 -0.005 17519
9139 1 17 . 1 1 38 38 GLN C C 567 175.809 175.809 175.169 0.640 17519
9140 1 17 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.908 -0.086 17519
9141 1 17 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.428 -0.246 17519
9142 1 17 . 1 1 38 38 GLN H H 567 8.489 8.489 8.376 0.113 17519
9143 1 17 . 1 1 39 39 ASP N N 568 121.881 121.881 125.215 -3.334 17519
9144 1 17 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.496 0.287 17519
9145 1 17 . 1 1 39 39 ASP C C 568 176.715 176.715 175.828 0.887 17519
9146 1 17 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.601 0.566 17519
9147 1 17 . 1 1 39 39 ASP CB C 568 40.239 40.239 40.657 -0.418 17519
9148 1 17 . 1 1 39 39 ASP H H 568 8.780 8.780 8.698 0.082 17519
9149 1 17 . 1 1 40 40 ALA N N 569 122.696 122.696 126.254 -3.558 17519
9150 1 17 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.119 0.233 17519
9151 1 17 . 1 1 40 40 ALA C C 569 175.165 175.165 177.717 -2.552 17519
9152 1 17 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.867 -1.374 17519
9153 1 17 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.176 1.559 17519
9154 1 17 . 1 1 40 40 ALA H H 569 8.463 8.463 7.863 0.600 17519
9155 1 17 . 1 1 41 41 GLU N N 570 120.083 120.083 119.233 0.850 17519
9156 1 17 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.526 -0.175 17519
9157 1 17 . 1 1 41 41 GLU C C 570 174.683 174.683 175.957 -1.274 17519
9158 1 17 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.329 1.196 17519
9159 1 17 . 1 1 41 41 GLU CB C 570 27.231 27.231 29.561 -2.329 17519
9160 1 17 . 1 1 41 41 GLU H H 570 10.398 10.398 8.772 1.626 17519
9161 1 17 . 1 1 42 42 ILE N N 571 119.363 119.363 120.972 -1.609 17519
9162 1 17 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.367 0.012 17519
9163 1 17 . 1 1 42 42 ILE C C 571 174.913 174.913 176.504 -1.591 17519
9164 1 17 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.411 -2.591 17519
9165 1 17 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.340 1.246 17519
9166 1 17 . 1 1 42 42 ILE H H 571 6.526 6.526 7.738 -1.212 17519
9167 1 17 . 1 1 43 43 SER N N 572 121.258 121.258 114.953 6.305 17519
9168 1 17 . 1 1 43 43 SER HA H 572 4.352 4.352 4.604 -0.252 17519
9169 1 17 . 1 1 43 43 SER C C 572 175.617 175.617 174.041 1.576 17519
9170 1 17 . 1 1 43 43 SER CA C 572 60.125 60.125 58.753 1.372 17519
9171 1 17 . 1 1 43 43 SER CB C 572 63.063 63.063 63.614 -0.551 17519
9172 1 17 . 1 1 43 43 SER H H 572 8.618 8.618 8.329 0.289 17519
9173 1 17 . 1 1 44 44 GLY N N 573 111.836 111.836 112.882 -1.046 17519
9174 1 17 . 1 1 44 44 GLY C C 573 173.828 173.828 173.522 0.306 17519
9175 1 17 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.432 -0.577 17519
9176 1 17 . 1 1 44 44 GLY H H 573 8.691 8.691 8.605 0.086 17519
9177 1 17 . 1 1 45 45 TYR N N 574 116.297 116.297 119.761 -3.464 17519
9178 1 17 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.579 1.182 17519
9179 1 17 . 1 1 45 45 TYR C C 574 175.520 175.520 174.550 0.970 17519
9180 1 17 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.319 -0.800 17519
9181 1 17 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.883 1.034 17519
9182 1 17 . 1 1 45 45 TYR H H 574 7.854 7.854 7.736 0.118 17519
9183 1 17 . 1 1 46 46 ALA N N 575 126.117 126.117 122.683 3.434 17519
9184 1 17 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.691 0.716 17519
9185 1 17 . 1 1 46 46 ALA C C 575 176.096 176.096 175.097 0.999 17519
9186 1 17 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.474 -0.102 17519
9187 1 17 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.822 2.544 17519
9188 1 17 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.277 0.433 17519
9189 1 17 . 1 1 47 47 LYS C C 576 173.794 173.794 174.426 -0.632 17519
9190 1 17 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.233 0.157 17519
9191 1 17 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.610 0.331 17519
9192 1 17 . 1 1 48 48 ILE N N 577 120.000 120.000 119.921 0.079 17519
9193 1 17 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.727 -0.282 17519
9194 1 17 . 1 1 48 48 ILE C C 577 171.242 171.242 173.207 -1.965 17519
9195 1 17 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.168 1.212 17519
9196 1 17 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.181 0.135 17519
9197 1 17 . 1 1 48 48 ILE H H 577 8.041 8.041 8.865 -0.824 17519
9198 1 17 . 1 1 49 49 THR N N 578 122.357 122.357 122.024 0.333 17519
9199 1 17 . 1 1 49 49 THR HA H 578 5.344 5.344 5.472 -0.128 17519
9200 1 17 . 1 1 49 49 THR C C 578 173.601 173.601 174.247 -0.646 17519
9201 1 17 . 1 1 49 49 THR CA C 578 61.849 61.849 60.778 1.071 17519
9202 1 17 . 1 1 49 49 THR CB C 578 70.593 70.593 70.501 0.092 17519
9203 1 17 . 1 1 49 49 THR H H 578 8.043 8.043 8.452 -0.409 17519
9204 1 17 . 1 1 50 50 VAL N N 579 126.489 126.489 125.257 1.232 17519
9205 1 17 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.210 -0.070 17519
9206 1 17 . 1 1 50 50 VAL C C 579 174.015 174.015 174.380 -0.365 17519
9207 1 17 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.222 0.030 17519
9208 1 17 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.622 -0.469 17519
9209 1 17 . 1 1 50 50 VAL H H 579 9.349 9.349 8.512 0.837 17519
9210 1 17 . 1 1 51 51 ASP N N 580 126.891 126.891 127.627 -0.736 17519
9211 1 17 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.100 -0.233 17519
9212 1 17 . 1 1 51 51 ASP C C 580 176.752 176.752 176.329 0.423 17519
9213 1 17 . 1 1 51 51 ASP CA C 580 53.526 53.526 54.017 -0.491 17519
9214 1 17 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.098 -0.282 17519
9215 1 17 . 1 1 51 51 ASP H H 580 8.616 8.616 8.526 0.090 17519
9216 1 17 . 1 1 52 52 ILE N N 581 118.893 118.893 119.424 -0.531 17519
9217 1 17 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.666 -0.078 17519
9218 1 17 . 1 1 52 52 ILE C C 581 176.717 176.717 176.246 0.471 17519
9219 1 17 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.968 0.133 17519
9220 1 17 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.448 -0.393 17519
9221 1 17 . 1 1 52 52 ILE H H 581 8.627 8.627 8.228 0.399 17519
9222 1 17 . 1 1 53 53 GLY N N 582 114.728 114.728 110.691 4.037 17519
9223 1 17 . 1 1 53 53 GLY C C 582 174.442 174.442 174.812 -0.370 17519
9224 1 17 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.147 0.458 17519
9225 1 17 . 1 1 53 53 GLY H H 582 9.075 9.075 8.190 0.885 17519
9226 1 17 . 1 1 54 54 SER N N 583 120.404 120.404 113.805 6.599 17519
9227 1 17 . 1 1 54 54 SER HA H 583 4.549 4.549 4.602 -0.053 17519
9228 1 17 . 1 1 54 54 SER C C 583 175.149 175.149 172.675 2.474 17519
9229 1 17 . 1 1 54 54 SER CA C 583 58.133 58.133 58.091 0.042 17519
9230 1 17 . 1 1 54 54 SER CB C 583 63.647 63.647 61.861 1.786 17519
9231 1 17 . 1 1 54 54 SER H H 583 8.812 8.812 7.994 0.818 17519
9232 1 17 . 1 1 55 55 ALA N N 584 125.527 125.527 123.375 2.152 17519
9233 1 17 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.627 -0.210 17519
9234 1 17 . 1 1 55 55 ALA C C 584 175.867 175.867 175.672 0.195 17519
9235 1 17 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.117 0.250 17519
9236 1 17 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.495 -0.432 17519
9237 1 17 . 1 1 55 55 ALA H H 584 7.820 7.820 7.719 0.101 17519
9238 1 17 . 1 1 56 56 SER N N 585 109.786 109.786 114.299 -4.513 17519
9239 1 17 . 1 1 56 56 SER HA H 585 4.564 4.564 4.483 0.081 17519
9240 1 17 . 1 1 56 56 SER C C 585 173.978 173.978 173.950 0.028 17519
9241 1 17 . 1 1 56 56 SER CA C 585 58.220 58.220 58.650 -0.430 17519
9242 1 17 . 1 1 56 56 SER CB C 585 64.962 64.962 64.111 0.851 17519
9243 1 17 . 1 1 56 56 SER H H 585 8.785 8.785 8.538 0.247 17519
9244 1 17 . 1 1 57 57 GLN N N 586 116.690 116.690 119.188 -2.498 17519
9245 1 17 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.955 0.193 17519
9246 1 17 . 1 1 57 57 GLN C C 586 172.923 172.923 173.205 -0.282 17519
9247 1 17 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.317 -1.321 17519
9248 1 17 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.927 1.613 17519
9249 1 17 . 1 1 57 57 GLN H H 586 7.144 7.144 7.510 -0.366 17519
9250 1 17 . 1 1 58 58 LEU N N 587 123.011 123.011 124.067 -1.056 17519
9251 1 17 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.075 -0.407 17519
9252 1 17 . 1 1 58 58 LEU C C 587 173.426 173.426 174.315 -0.889 17519
9253 1 17 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.971 -0.593 17519
9254 1 17 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.347 1.311 17519
9255 1 17 . 1 1 58 58 LEU H H 587 9.226 9.226 9.221 0.005 17519
9256 1 17 . 1 1 59 59 GLU N N 588 129.185 129.185 125.183 4.002 17519
9257 1 17 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.089 0.220 17519
9258 1 17 . 1 1 59 59 GLU C C 588 175.409 175.409 174.836 0.573 17519
9259 1 17 . 1 1 59 59 GLU CA C 588 54.650 54.650 53.633 1.017 17519
9260 1 17 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.577 0.471 17519
9261 1 17 . 1 1 59 59 GLU H H 588 8.830 8.830 8.479 0.351 17519
9262 1 17 . 1 1 60 60 ALA N N 589 126.011 126.011 125.016 0.995 17519
9263 1 17 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.221 0.682 17519
9264 1 17 . 1 1 60 60 ALA C C 589 174.861 174.861 175.325 -0.464 17519
9265 1 17 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.258 -0.111 17519
9266 1 17 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.848 2.009 17519
9267 1 17 . 1 1 60 60 ALA H H 589 9.748 9.748 8.235 1.513 17519
9268 1 17 . 1 1 61 61 ALA N N 590 120.783 120.783 123.552 -2.769 17519
9269 1 17 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.265 0.552 17519
9270 1 17 . 1 1 61 61 ALA C C 590 174.731 174.731 174.641 0.090 17519
9271 1 17 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.111 1.017 17519
9272 1 17 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.146 0.954 17519
9273 1 17 . 1 1 61 61 ALA H H 590 9.392 9.392 8.933 0.459 17519
9274 1 17 . 1 1 62 62 PHE N N 591 116.572 116.572 116.744 -0.172 17519
9275 1 17 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.944 1.063 17519
9276 1 17 . 1 1 62 62 PHE C C 591 175.059 175.059 174.120 0.939 17519
9277 1 17 . 1 1 62 62 PHE CA C 591 56.456 56.456 54.115 2.341 17519
9278 1 17 . 1 1 62 62 PHE CB C 591 43.323 43.323 41.189 2.134 17519
9279 1 17 . 1 1 62 62 PHE H H 591 8.394 8.394 8.009 0.385 17519
9280 1 17 . 1 1 63 63 ASN N N 592 116.166 116.166 118.387 -2.221 17519
9281 1 17 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.203 -0.039 17519
9282 1 17 . 1 1 63 63 ASN C C 592 172.073 172.073 175.033 -2.960 17519
9283 1 17 . 1 1 63 63 ASN CA C 592 53.727 53.727 52.270 1.458 17519
9284 1 17 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.970 0.262 17519
9285 1 17 . 1 1 63 63 ASN H H 592 9.117 9.117 8.579 0.538 17519
9286 1 17 . 1 1 64 64 ASP N N 593 118.039 118.039 123.137 -5.098 17519
9287 1 17 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.202 0.017 17519
9288 1 17 . 1 1 64 64 ASP C C 593 177.248 177.248 176.978 0.270 17519
9289 1 17 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.705 -3.454 17519
9290 1 17 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.530 0.192 17519
9291 1 17 . 1 1 64 64 ASP H H 593 7.558 7.558 8.171 -0.613 17519
9292 1 17 . 1 1 65 65 GLY N N 594 110.622 110.622 106.481 4.141 17519
9293 1 17 . 1 1 65 65 GLY C C 594 173.126 173.126 174.777 -1.651 17519
9294 1 17 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.209 0.320 17519
9295 1 17 . 1 1 65 65 GLY H H 594 8.742 8.742 8.326 0.416 17519
9296 1 17 . 1 1 66 66 ASN N N 595 120.863 120.863 119.486 1.377 17519
9297 1 17 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.975 -0.218 17519
9298 1 17 . 1 1 66 66 ASN C C 595 174.434 174.434 174.599 -0.165 17519
9299 1 17 . 1 1 66 66 ASN CA C 595 52.167 52.167 52.804 -0.637 17519
9300 1 17 . 1 1 66 66 ASN CB C 595 39.388 39.388 37.952 1.436 17519
9301 1 17 . 1 1 66 66 ASN H H 595 8.424 8.424 8.461 -0.037 17519
9302 1 17 . 1 1 67 67 ASN N N 596 113.308 113.308 114.219 -0.911 17519
9303 1 17 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.595 -0.365 17519
9304 1 17 . 1 1 67 67 ASN C C 596 173.796 173.796 174.200 -0.404 17519
9305 1 17 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.056 0.369 17519
9306 1 17 . 1 1 67 67 ASN CB C 596 38.153 38.153 37.471 0.682 17519
9307 1 17 . 1 1 67 67 ASN H H 596 8.744 8.744 8.111 0.633 17519
9308 1 17 . 1 1 68 68 ASN N N 597 118.418 118.418 118.786 -0.368 17519
9309 1 17 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.020 0.098 17519
9310 1 17 . 1 1 68 68 ASN C C 597 173.474 173.474 173.869 -0.395 17519
9311 1 17 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.303 0.835 17519
9312 1 17 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.811 -0.189 17519
9313 1 17 . 1 1 68 68 ASN H H 597 8.032 8.032 8.270 -0.238 17519
9314 1 17 . 1 1 69 69 TRP N N 598 120.990 120.990 123.348 -2.358 17519
9315 1 17 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.097 -0.241 17519
9316 1 17 . 1 1 69 69 TRP C C 598 176.220 176.220 176.109 0.111 17519
9317 1 17 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.315 0.918 17519
9318 1 17 . 1 1 69 69 TRP CB C 598 32.219 32.219 31.222 0.997 17519
9319 1 17 . 1 1 69 69 TRP H H 598 8.842 8.842 8.295 0.547 17519
9320 1 17 . 1 1 70 70 ASP N N 599 122.210 122.210 119.171 3.039 17519
9321 1 17 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.039 0.208 17519
9322 1 17 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.621 -0.375 17519
9323 1 17 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.529 0.369 17519
9324 1 17 . 1 1 70 70 ASP H H 599 9.831 9.831 8.765 1.066 17519
9325 1 17 . 1 1 71 71 SER N N 600 117.252 117.252 116.555 0.697 17519
9326 1 17 . 1 1 71 71 SER HA H 600 5.141 5.141 4.137 1.004 17519
9327 1 17 . 1 1 71 71 SER CA C 600 55.907 55.907 60.456 -4.550 17519
9328 1 17 . 1 1 71 71 SER H H 600 9.328 9.328 8.445 0.883 17519
9329 1 17 . 1 1 72 72 ASN N N 601 123.197 123.197 117.653 5.544 17519
9330 1 17 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.858 -0.429 17519
9331 1 17 . 1 1 72 72 ASN C C 601 176.895 176.895 174.927 1.968 17519
9332 1 17 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.456 -0.363 17519
9333 1 17 . 1 1 72 72 ASN CB C 601 39.150 39.150 39.942 -0.792 17519
9334 1 17 . 1 1 72 72 ASN H H 601 8.715 8.715 8.547 0.168 17519
9335 1 17 . 1 1 73 73 ASN N N 602 116.099 116.099 117.716 -1.617 17519
9336 1 17 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.372 0.072 17519
9337 1 17 . 1 1 73 73 ASN C C 602 176.304 176.304 174.817 1.487 17519
9338 1 17 . 1 1 73 73 ASN CA C 602 54.465 54.465 55.748 -1.283 17519
9339 1 17 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.074 -0.797 17519
9340 1 17 . 1 1 73 73 ASN H H 602 9.184 9.184 8.419 0.765 17519
9341 1 17 . 1 1 74 74 THR N N 603 110.445 110.445 110.330 0.115 17519
9342 1 17 . 1 1 74 74 THR HA H 603 3.835 3.835 4.227 -0.392 17519
9343 1 17 . 1 1 74 74 THR C C 603 173.186 173.186 173.407 -0.221 17519
9344 1 17 . 1 1 74 74 THR CA C 603 65.006 65.006 62.533 2.473 17519
9345 1 17 . 1 1 74 74 THR CB C 603 69.653 69.653 68.846 0.807 17519
9346 1 17 . 1 1 74 74 THR H H 603 7.829 7.829 7.959 -0.130 17519
9347 1 17 . 1 1 75 75 LYS N N 604 121.909 121.909 120.714 1.195 17519
9348 1 17 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.347 -0.210 17519
9349 1 17 . 1 1 75 75 LYS C C 604 177.262 177.262 176.180 1.082 17519
9350 1 17 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.784 0.983 17519
9351 1 17 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.237 -0.861 17519
9352 1 17 . 1 1 75 75 LYS H H 604 7.714 7.714 8.189 -0.475 17519
9353 1 17 . 1 1 76 76 ASN N N 605 108.823 108.823 115.943 -7.120 17519
9354 1 17 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.036 -0.096 17519
9355 1 17 . 1 1 76 76 ASN C C 605 171.742 171.742 173.981 -2.239 17519
9356 1 17 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.703 -0.544 17519
9357 1 17 . 1 1 76 76 ASN CB C 605 39.027 39.027 37.237 1.790 17519
9358 1 17 . 1 1 76 76 ASN H H 605 8.274 8.274 7.962 0.312 17519
9359 1 17 . 1 1 77 77 TYR N N 606 117.628 117.628 116.901 0.727 17519
9360 1 17 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.567 0.260 17519
9361 1 17 . 1 1 77 77 TYR C C 606 174.468 174.468 174.024 0.444 17519
9362 1 17 . 1 1 77 77 TYR CA C 606 57.569 57.569 56.705 0.864 17519
9363 1 17 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.736 -0.181 17519
9364 1 17 . 1 1 77 77 TYR H H 606 9.055 9.055 8.201 0.854 17519
9365 1 17 . 1 1 78 78 LEU N N 607 121.811 121.811 119.986 1.825 17519
9366 1 17 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.238 1.065 17519
9367 1 17 . 1 1 78 78 LEU C C 607 175.673 175.673 175.293 0.380 17519
9368 1 17 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.407 -1.163 17519
9369 1 17 . 1 1 78 78 LEU CB C 607 43.971 43.971 43.090 0.881 17519
9370 1 17 . 1 1 78 78 LEU H H 607 7.983 7.983 8.328 -0.345 17519
9371 1 17 . 1 1 79 79 PHE N N 608 121.390 121.390 123.340 -1.950 17519
9372 1 17 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.973 -0.146 17519
9373 1 17 . 1 1 79 79 PHE C C 608 175.786 175.786 175.009 0.777 17519
9374 1 17 . 1 1 79 79 PHE CA C 608 56.851 56.851 55.823 1.028 17519
9375 1 17 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.385 0.178 17519
9376 1 17 . 1 1 79 79 PHE H H 608 9.240 9.240 8.720 0.520 17519
9377 1 17 . 1 1 80 80 SER N N 609 117.589 117.589 115.985 1.604 17519
9378 1 17 . 1 1 80 80 SER HA H 609 4.979 4.979 4.808 0.171 17519
9379 1 17 . 1 1 80 80 SER C C 609 173.269 173.269 174.581 -1.312 17519
9380 1 17 . 1 1 80 80 SER CA C 609 57.811 57.811 56.283 1.528 17519
9381 1 17 . 1 1 80 80 SER CB C 609 64.856 64.856 64.555 0.301 17519
9382 1 17 . 1 1 80 80 SER H H 609 8.948 8.948 8.676 0.272 17519
9383 1 17 . 1 1 81 81 THR N N 610 112.845 112.845 114.335 -1.490 17519
9384 1 17 . 1 1 81 81 THR HA H 610 3.871 3.871 4.137 -0.266 17519
9385 1 17 . 1 1 81 81 THR C C 610 174.439 174.439 175.206 -0.767 17519
9386 1 17 . 1 1 81 81 THR CA C 610 64.353 64.353 63.489 0.864 17519
9387 1 17 . 1 1 81 81 THR CB C 610 69.421 69.421 69.016 0.405 17519
9388 1 17 . 1 1 82 82 GLY N N 611 112.157 112.157 110.788 1.369 17519
9389 1 17 . 1 1 82 82 GLY C C 611 174.430 174.430 172.243 2.187 17519
9390 1 17 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.505 -0.638 17519
9391 1 17 . 1 1 82 82 GLY H H 611 8.468 8.468 7.930 0.538 17519
9392 1 17 . 1 1 83 83 THR N N 612 120.992 120.992 117.816 3.176 17519
9393 1 17 . 1 1 83 83 THR HA H 612 5.483 5.483 5.035 0.448 17519
9394 1 17 . 1 1 83 83 THR C C 612 174.819 174.819 173.739 1.080 17519
9395 1 17 . 1 1 83 83 THR CA C 612 62.563 62.563 61.839 0.724 17519
9396 1 17 . 1 1 83 83 THR CB C 612 70.093 70.093 69.784 0.309 17519
9397 1 17 . 1 1 83 83 THR H H 612 8.736 8.736 8.258 0.477 17519
9398 1 17 . 1 1 84 84 SER N N 613 122.602 122.602 121.523 1.079 17519
9399 1 17 . 1 1 84 84 SER HA H 613 5.489 5.489 5.131 0.358 17519
9400 1 17 . 1 1 84 84 SER C C 613 172.064 172.064 173.131 -1.067 17519
9401 1 17 . 1 1 84 84 SER CA C 613 58.813 58.813 56.720 2.093 17519
9402 1 17 . 1 1 84 84 SER CB C 613 67.694 67.694 66.130 1.564 17519
9403 1 17 . 1 1 84 84 SER H H 613 9.051 9.051 9.183 -0.132 17519
9404 1 17 . 1 1 85 85 THR N N 614 117.759 117.759 117.443 0.316 17519
9405 1 17 . 1 1 85 85 THR HA H 614 5.256 5.256 5.188 0.068 17519
9406 1 17 . 1 1 85 85 THR C C 614 173.632 173.632 173.105 0.527 17519
9407 1 17 . 1 1 85 85 THR CA C 614 62.724 62.724 61.841 0.883 17519
9408 1 17 . 1 1 85 85 THR CB C 614 70.908 70.908 70.705 0.203 17519
9409 1 17 . 1 1 85 85 THR H H 614 9.523 9.523 8.725 0.798 17519
9410 1 17 . 1 1 86 86 TYR N N 615 131.519 131.519 129.180 2.339 17519
9411 1 17 . 1 1 86 86 TYR HA H 615 5.213 5.213 5.068 0.145 17519
9412 1 17 . 1 1 86 86 TYR C C 615 172.999 172.999 173.602 -0.603 17519
9413 1 17 . 1 1 86 86 TYR CA C 615 57.163 57.163 55.016 2.147 17519
9414 1 17 . 1 1 86 86 TYR CB C 615 41.569 41.569 38.908 2.661 17519
9415 1 17 . 1 1 86 86 TYR H H 615 10.029 10.029 9.011 1.018 17519
9416 1 17 . 1 1 87 87 THR N N 616 124.674 124.674 124.740 -0.066 17519
9417 1 17 . 1 1 87 87 THR HA H 616 4.370 4.370 4.592 -0.222 17519
9418 1 17 . 1 1 87 87 THR CA C 616 58.725 58.725 59.551 -0.826 17519
9419 1 17 . 1 1 87 87 THR CB C 616 70.070 70.070 70.003 0.067 17519
9420 1 17 . 1 1 87 87 THR H H 616 8.027 8.027 9.197 -1.170 17519
9421 1 17 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.818 -0.726 17519
9422 1 17 . 1 1 88 88 PRO C C 617 177.011 177.011 176.899 0.112 17519
9423 1 17 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.178 0.709 17519
9424 1 17 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.790 -0.466 17519
9425 1 17 . 1 1 89 89 GLY N N 618 108.881 108.881 106.607 2.274 17519
9426 1 17 . 1 1 89 89 GLY C C 618 173.673 173.673 174.098 -0.425 17519
9427 1 17 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.446 -0.450 17519
9428 1 17 . 1 1 89 89 GLY H H 618 8.261 8.261 8.459 -0.198 17519
9429 1 17 . 1 1 90 90 SER N N 619 114.743 114.743 113.484 1.259 17519
9430 1 17 . 1 1 90 90 SER HA H 619 4.537 4.537 4.560 -0.023 17519
9431 1 17 . 1 1 90 90 SER C C 619 175.706 175.706 175.105 0.601 17519
9432 1 17 . 1 1 90 90 SER CA C 619 57.617 57.617 58.763 -1.146 17519
9433 1 17 . 1 1 90 90 SER CB C 619 64.294 64.294 64.439 -0.145 17519
9434 1 17 . 1 1 90 90 SER H H 619 8.380 8.380 8.229 0.151 17519
9435 1 17 . 1 1 91 91 ASN N N 620 121.360 121.360 122.105 -0.745 17519
9436 1 17 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.877 -0.465 17519
9437 1 17 . 1 1 91 91 ASN C C 620 175.289 175.289 174.719 0.570 17519
9438 1 17 . 1 1 91 91 ASN CA C 620 54.353 54.353 52.491 1.862 17519
9439 1 17 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.524 0.209 17519
9440 1 17 . 1 1 91 91 ASN H H 620 9.296 9.296 8.272 1.024 17519
9441 1 17 . 1 1 92 92 GLY N N 621 105.883 105.883 108.751 -2.868 17519
9442 1 17 . 1 1 92 92 GLY C C 621 174.510 174.510 173.729 0.781 17519
9443 1 17 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.129 -0.900 17519
9444 1 17 . 1 1 92 92 GLY H H 621 8.528 8.528 8.190 0.338 17519
9445 1 17 . 1 1 93 93 ALA N N 622 123.803 123.803 122.331 1.472 17519
9446 1 17 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.547 -0.131 17519
9447 1 17 . 1 1 93 93 ALA C C 622 176.820 176.820 176.548 0.272 17519
9448 1 17 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.640 1.211 17519
9449 1 17 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.473 -0.669 17519
9450 1 17 . 1 1 93 93 ALA H H 622 7.486 7.486 7.991 -0.505 17519
9451 1 17 . 1 1 94 94 ALA N N 623 123.284 123.284 127.174 -3.890 17519
9452 1 17 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.396 0.194 17519
9453 1 17 . 1 1 94 94 ALA C C 623 178.770 178.770 177.762 1.008 17519
9454 1 17 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.138 -0.511 17519
9455 1 17 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.388 0.699 17519
9456 1 17 . 1 1 94 94 ALA H H 623 8.397 8.397 8.675 -0.278 17519
9457 1 17 . 1 1 95 95 GLY N N 624 108.970 108.970 111.032 -2.062 17519
9458 1 17 . 1 1 95 95 GLY C C 624 173.156 173.156 173.890 -0.734 17519
9459 1 17 . 1 1 95 95 GLY CA C 624 44.857 44.857 45.063 -0.206 17519
9460 1 17 . 1 1 95 95 GLY H H 624 8.438 8.438 8.989 -0.551 17519
9461 1 17 . 1 1 96 96 THR N N 625 108.929 108.929 111.126 -2.197 17519
9462 1 17 . 1 1 96 96 THR HA H 625 4.603 4.603 4.597 0.006 17519
9463 1 17 . 1 1 96 96 THR C C 625 172.765 172.765 172.611 0.154 17519
9464 1 17 . 1 1 96 96 THR CA C 625 60.350 60.350 60.936 -0.586 17519
9465 1 17 . 1 1 96 96 THR CB C 625 72.295 72.295 71.376 0.919 17519
9466 1 17 . 1 1 96 96 THR H H 625 7.833 7.833 8.398 -0.565 17519
9467 1 17 . 1 1 97 97 ILE N N 626 123.623 123.623 119.915 3.708 17519
9468 1 17 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.254 -0.437 17519
9469 1 17 . 1 1 97 97 ILE C C 626 175.596 175.596 175.231 0.365 17519
9470 1 17 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.658 1.391 17519
9471 1 17 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.939 1.239 17519
9472 1 17 . 1 1 97 97 ILE H H 626 8.594 8.594 8.350 0.244 17519
9473 1 17 . 1 1 98 98 ARG N N 627 127.431 127.431 127.727 -0.296 17519
9474 1 17 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.688 0.247 17519
9475 1 17 . 1 1 98 98 ARG C C 627 175.183 175.183 175.269 -0.086 17519
9476 1 17 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.335 -0.567 17519
9477 1 17 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.804 0.972 17519
9478 1 17 . 1 1 98 98 ARG H H 627 8.979 8.979 9.073 -0.094 17519
9479 1 17 . 1 1 99 99 THR N N 628 118.452 118.452 119.440 -0.988 17519
9480 1 17 . 1 1 99 99 THR HA H 628 4.410 4.410 4.434 -0.024 17519
9481 1 17 . 1 1 99 99 THR C C 628 174.845 174.845 174.990 -0.145 17519
9482 1 17 . 1 1 99 99 THR CA C 628 63.962 63.962 61.633 2.329 17519
9483 1 17 . 1 1 99 99 THR CB C 628 69.488 69.488 69.018 0.470 17519
9484 1 17 . 1 1 99 99 THR H H 628 8.697 8.697 8.468 0.229 17519
9485 1 17 . 1 1 100 100 GLY N N 629 114.137 114.137 111.667 2.470 17519
9486 1 17 . 1 1 100 100 GLY C C 629 171.903 171.903 172.921 -1.018 17519
9487 1 17 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.143 -0.396 17519
9488 1 17 . 1 1 100 100 GLY H H 629 8.626 8.626 8.255 0.371 17519
9489 1 17 . 1 1 101 101 ALA N N 630 120.627 120.627 125.616 -4.989 17519
9490 1 17 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.191 -0.499 17519
9491 1 17 . 1 1 101 101 ALA CA C 630 49.428 49.428 51.085 -1.657 17519
9492 1 17 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.814 -0.743 17519
9493 1 17 . 1 1 101 101 ALA H H 630 7.980 7.980 8.248 -0.268 17519
9494 1 17 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.340 -0.215 17519
9495 1 17 . 1 1 102 102 PRO C C 631 175.721 175.721 175.619 0.102 17519
9496 1 17 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.460 0.480 17519
9497 1 17 . 1 1 102 102 PRO CB C 631 31.745 31.745 31.948 -0.203 17519
9498 1 17 . 1 1 103 103 SER N N 632 113.689 113.689 115.492 -1.803 17519
9499 1 17 . 1 1 103 103 SER HA H 632 4.295 4.295 4.253 0.043 17519
9500 1 17 . 1 1 103 103 SER C C 632 173.816 173.816 174.413 -0.597 17519
9501 1 17 . 1 1 103 103 SER CA C 632 57.689 57.689 57.980 -0.291 17519
9502 1 17 . 1 1 103 103 SER CB C 632 64.133 64.133 63.816 0.317 17519
9503 1 17 . 1 1 103 103 SER H H 632 7.969 7.969 7.999 -0.030 17519
9504 1 18 . 1 1 2 2 GLY C C 531 174.309 174.309 172.801 1.508 17519
9505 1 18 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.461 0.715 17519
9506 1 18 . 1 1 3 3 THR N N 532 113.802 113.802 116.068 -2.266 17519
9507 1 18 . 1 1 3 3 THR HA H 532 4.429 4.429 4.518 -0.089 17519
9508 1 18 . 1 1 3 3 THR C C 532 174.430 174.430 174.034 0.396 17519
9509 1 18 . 1 1 3 3 THR CA C 532 61.577 61.577 61.714 -0.137 17519
9510 1 18 . 1 1 3 3 THR CB C 532 69.849 69.849 70.343 -0.494 17519
9511 1 18 . 1 1 3 3 THR H H 532 8.140 8.140 8.093 0.047 17519
9512 1 18 . 1 1 4 4 THR N N 533 115.407 115.407 115.360 0.047 17519
9513 1 18 . 1 1 4 4 THR HA H 533 4.350 4.350 4.304 0.046 17519
9514 1 18 . 1 1 4 4 THR C C 533 173.831 173.831 173.621 0.210 17519
9515 1 18 . 1 1 4 4 THR CA C 533 60.266 60.266 62.200 -1.934 17519
9516 1 18 . 1 1 4 4 THR CB C 533 69.788 69.788 69.319 0.469 17519
9517 1 18 . 1 1 4 4 THR H H 533 8.019 8.019 8.363 -0.344 17519
9518 1 18 . 1 1 5 5 ASN N N 534 121.822 121.822 122.558 -0.736 17519
9519 1 18 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.009 -0.173 17519
9520 1 18 . 1 1 5 5 ASN C C 534 174.057 174.057 173.870 0.187 17519
9521 1 18 . 1 1 5 5 ASN CA C 534 52.686 52.686 51.816 0.870 17519
9522 1 18 . 1 1 5 5 ASN CB C 534 39.156 39.156 41.358 -2.202 17519
9523 1 18 . 1 1 5 5 ASN H H 534 8.863 8.863 8.647 0.216 17519
9524 1 18 . 1 1 6 6 LYS N N 535 119.369 119.369 117.709 1.660 17519
9525 1 18 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.918 0.267 17519
9526 1 18 . 1 1 6 6 LYS C C 535 175.924 175.924 174.408 1.516 17519
9527 1 18 . 1 1 6 6 LYS CA C 535 54.531 54.531 54.844 -0.313 17519
9528 1 18 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.588 -0.572 17519
9529 1 18 . 1 1 6 6 LYS H H 535 8.347 8.347 8.237 0.110 17519
9530 1 18 . 1 1 7 7 VAL N N 536 123.112 123.112 120.079 3.033 17519
9531 1 18 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.503 0.070 17519
9532 1 18 . 1 1 7 7 VAL C C 536 174.602 174.602 173.499 1.103 17519
9533 1 18 . 1 1 7 7 VAL CA C 536 61.145 61.145 59.723 1.422 17519
9534 1 18 . 1 1 7 7 VAL CB C 536 34.773 34.773 35.233 -0.460 17519
9535 1 18 . 1 1 7 7 VAL H H 536 8.828 8.828 8.847 -0.019 17519
9536 1 18 . 1 1 8 8 THR N N 537 125.255 125.255 125.203 0.052 17519
9537 1 18 . 1 1 8 8 THR HA H 537 5.396 5.396 4.887 0.509 17519
9538 1 18 . 1 1 8 8 THR C C 537 173.129 173.129 173.622 -0.493 17519
9539 1 18 . 1 1 8 8 THR CA C 537 61.611 61.611 62.805 -1.194 17519
9540 1 18 . 1 1 8 8 THR CB C 537 70.113 70.113 69.844 0.269 17519
9541 1 18 . 1 1 8 8 THR H H 537 8.914 8.914 8.117 0.797 17519
9542 1 18 . 1 1 9 9 VAL N N 538 126.696 126.696 126.542 0.154 17519
9543 1 18 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.736 -0.202 17519
9544 1 18 . 1 1 9 9 VAL C C 538 175.565 175.565 174.474 1.091 17519
9545 1 18 . 1 1 9 9 VAL CA C 538 60.879 60.879 61.398 -0.519 17519
9546 1 18 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.374 0.805 17519
9547 1 18 . 1 1 9 9 VAL H H 538 8.585 8.585 8.956 -0.371 17519
9548 1 18 . 1 1 10 10 TYR N N 539 124.488 124.488 127.615 -3.127 17519
9549 1 18 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.381 -0.123 17519
9550 1 18 . 1 1 10 10 TYR C C 539 174.309 174.309 174.890 -0.581 17519
9551 1 18 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.706 0.560 17519
9552 1 18 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.441 -1.030 17519
9553 1 18 . 1 1 10 10 TYR H H 539 9.111 9.111 8.908 0.203 17519
9554 1 18 . 1 1 11 11 TYR N N 540 125.848 125.848 126.896 -1.048 17519
9555 1 18 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.760 -0.734 17519
9556 1 18 . 1 1 11 11 TYR C C 540 173.346 173.346 174.108 -0.762 17519
9557 1 18 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.513 2.089 17519
9558 1 18 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.167 0.791 17519
9559 1 18 . 1 1 11 11 TYR H H 540 9.580 9.580 8.914 0.666 17519
9560 1 18 . 1 1 12 12 LYS N N 541 131.489 131.489 125.880 5.609 17519
9561 1 18 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.885 -0.433 17519
9562 1 18 . 1 1 12 12 LYS C C 541 172.904 172.904 174.906 -2.002 17519
9563 1 18 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.535 1.180 17519
9564 1 18 . 1 1 12 12 LYS CB C 541 33.097 33.097 34.010 -0.913 17519
9565 1 18 . 1 1 12 12 LYS H H 541 8.406 8.406 8.408 -0.002 17519
9566 1 18 . 1 1 13 13 LYS N N 542 125.132 125.132 127.416 -2.284 17519
9567 1 18 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.067 -0.129 17519
9568 1 18 . 1 1 13 13 LYS C C 542 180.078 180.078 175.704 4.374 17519
9569 1 18 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.057 -3.621 17519
9570 1 18 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.740 -1.135 17519
9571 1 18 . 1 1 13 13 LYS H H 542 7.515 7.515 7.588 -0.073 17519
9572 1 18 . 1 1 14 14 GLY N N 543 112.724 112.724 112.766 -0.042 17519
9573 1 18 . 1 1 14 14 GLY C C 543 174.151 174.151 174.282 -0.131 17519
9574 1 18 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.185 2.105 17519
9575 1 18 . 1 1 14 14 GLY H H 543 7.629 7.629 8.103 -0.474 17519
9576 1 18 . 1 1 15 15 PHE N N 544 121.583 121.583 120.008 1.575 17519
9577 1 18 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.335 0.387 17519
9578 1 18 . 1 1 15 15 PHE C C 544 175.876 175.876 177.291 -1.415 17519
9579 1 18 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.400 -1.290 17519
9580 1 18 . 1 1 15 15 PHE CB C 544 38.391 38.391 39.293 -0.902 17519
9581 1 18 . 1 1 15 15 PHE H H 544 8.557 8.557 8.225 0.332 17519
9582 1 18 . 1 1 16 16 ASN N N 545 117.559 117.559 117.249 0.310 17519
9583 1 18 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.606 -0.142 17519
9584 1 18 . 1 1 16 16 ASN C C 545 176.289 176.289 174.581 1.708 17519
9585 1 18 . 1 1 16 16 ASN CA C 545 56.420 56.420 55.526 0.894 17519
9586 1 18 . 1 1 16 16 ASN CB C 545 39.263 39.263 38.994 0.269 17519
9587 1 18 . 1 1 16 16 ASN H H 545 8.561 8.561 8.783 -0.222 17519
9588 1 18 . 1 1 17 17 SER N N 546 112.901 112.901 110.949 1.952 17519
9589 1 18 . 1 1 17 17 SER HA H 546 4.862 4.862 4.798 0.064 17519
9590 1 18 . 1 1 17 17 SER CA C 546 53.586 53.586 56.340 -2.754 17519
9591 1 18 . 1 1 17 17 SER CB C 546 63.708 63.708 64.093 -0.385 17519
9592 1 18 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.321 0.272 17519
9593 1 18 . 1 1 18 18 PRO C C 547 175.806 175.806 175.638 0.168 17519
9594 1 18 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.211 0.310 17519
9595 1 18 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.169 0.494 17519
9596 1 18 . 1 1 19 19 TYR N N 548 122.230 122.230 121.517 0.713 17519
9597 1 18 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.151 0.726 17519
9598 1 18 . 1 1 19 19 TYR C C 548 174.660 174.660 175.312 -0.652 17519
9599 1 18 . 1 1 19 19 TYR CA C 548 56.660 56.660 58.792 -2.132 17519
9600 1 18 . 1 1 19 19 TYR CB C 548 40.462 40.462 39.751 0.711 17519
9601 1 18 . 1 1 19 19 TYR H H 548 9.141 9.141 7.996 1.145 17519
9602 1 18 . 1 1 20 20 ILE N N 549 118.425 118.425 119.247 -0.822 17519
9603 1 18 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.534 0.538 17519
9604 1 18 . 1 1 20 20 ILE C C 549 171.422 171.422 173.360 -1.938 17519
9605 1 18 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.249 0.180 17519
9606 1 18 . 1 1 20 20 ILE CB C 549 41.756 41.756 40.684 1.072 17519
9607 1 18 . 1 1 21 21 HIS N N 550 133.248 133.248 127.908 5.340 17519
9608 1 18 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.723 0.640 17519
9609 1 18 . 1 1 21 21 HIS C C 550 174.988 174.988 173.250 1.738 17519
9610 1 18 . 1 1 21 21 HIS CA C 550 53.915 53.915 53.946 -0.030 17519
9611 1 18 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.377 2.397 17519
9612 1 18 . 1 1 21 21 HIS H H 550 8.956 8.956 8.144 0.812 17519
9613 1 18 . 1 1 22 22 TYR N N 551 121.831 121.831 122.394 -0.563 17519
9614 1 18 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.654 0.529 17519
9615 1 18 . 1 1 22 22 TYR C C 551 173.934 173.934 173.254 0.680 17519
9616 1 18 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.761 1.907 17519
9617 1 18 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.392 1.326 17519
9618 1 18 . 1 1 22 22 TYR H H 551 8.204 8.204 8.439 -0.235 17519
9619 1 18 . 1 1 23 23 ARG N N 552 115.619 115.619 117.427 -1.808 17519
9620 1 18 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.698 0.064 17519
9621 1 18 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.967 -0.487 17519
9622 1 18 . 1 1 23 23 ARG CB C 552 32.038 32.038 31.863 0.175 17519
9623 1 18 . 1 1 23 23 ARG H H 552 8.674 8.674 8.904 -0.230 17519
9624 1 18 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.459 0.097 17519
9625 1 18 . 1 1 24 24 PRO C C 553 176.736 176.736 177.085 -0.349 17519
9626 1 18 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.127 0.225 17519
9627 1 18 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.794 -0.914 17519
9628 1 18 . 1 1 25 25 ALA N N 554 125.908 125.908 123.343 2.565 17519
9629 1 18 . 1 1 25 25 ALA HA H 554 4.022 4.022 4.002 0.020 17519
9630 1 18 . 1 1 25 25 ALA C C 554 179.217 179.217 177.408 1.809 17519
9631 1 18 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.735 -0.650 17519
9632 1 18 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.922 -0.690 17519
9633 1 18 . 1 1 25 25 ALA H H 554 8.293 8.293 8.211 0.082 17519
9634 1 18 . 1 1 26 26 GLY N N 555 111.766 111.766 104.179 7.587 17519
9635 1 18 . 1 1 26 26 GLY C C 555 174.796 174.796 173.493 1.303 17519
9636 1 18 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.704 0.937 17519
9637 1 18 . 1 1 26 26 GLY H H 555 8.602 8.602 7.845 0.757 17519
9638 1 18 . 1 1 27 27 GLY N N 556 109.512 109.512 110.814 -1.302 17519
9639 1 18 . 1 1 27 27 GLY C C 556 173.368 173.368 173.151 0.217 17519
9640 1 18 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.352 -1.146 17519
9641 1 18 . 1 1 27 27 GLY H H 556 8.494 8.494 7.887 0.607 17519
9642 1 18 . 1 1 28 28 SER N N 557 117.962 117.962 114.194 3.768 17519
9643 1 18 . 1 1 28 28 SER HA H 557 4.690 4.690 4.682 0.008 17519
9644 1 18 . 1 1 28 28 SER C C 557 173.656 173.656 172.120 1.536 17519
9645 1 18 . 1 1 28 28 SER CA C 557 57.492 57.492 56.763 0.729 17519
9646 1 18 . 1 1 28 28 SER CB C 557 64.803 64.803 64.412 0.391 17519
9647 1 18 . 1 1 28 28 SER H H 557 8.681 8.681 7.687 0.994 17519
9648 1 18 . 1 1 29 29 TRP N N 558 123.928 123.928 120.354 3.574 17519
9649 1 18 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.756 -0.304 17519
9650 1 18 . 1 1 29 29 TRP C C 558 178.891 178.891 177.137 1.754 17519
9651 1 18 . 1 1 29 29 TRP CA C 558 58.074 58.074 57.121 0.953 17519
9652 1 18 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.592 0.114 17519
9653 1 18 . 1 1 29 29 TRP H H 558 8.392 8.392 8.577 -0.185 17519
9654 1 18 . 1 1 30 30 THR N N 559 111.067 111.067 117.801 -6.734 17519
9655 1 18 . 1 1 30 30 THR HA H 559 4.037 4.037 4.483 -0.446 17519
9656 1 18 . 1 1 30 30 THR C C 559 174.782 174.782 174.545 0.237 17519
9657 1 18 . 1 1 30 30 THR CA C 559 61.321 61.321 62.643 -1.322 17519
9658 1 18 . 1 1 30 30 THR CB C 559 70.561 70.561 70.041 0.520 17519
9659 1 18 . 1 1 30 30 THR H H 559 7.953 7.953 8.791 -0.838 17519
9660 1 18 . 1 1 31 31 ALA N N 560 123.046 123.046 124.381 -1.335 17519
9661 1 18 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.213 0.238 17519
9662 1 18 . 1 1 31 31 ALA C C 560 178.493 178.493 176.553 1.940 17519
9663 1 18 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.209 -0.295 17519
9664 1 18 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.639 -0.640 17519
9665 1 18 . 1 1 31 31 ALA H H 560 8.437 8.437 8.410 0.027 17519
9666 1 18 . 1 1 32 32 ALA N N 561 129.644 129.644 126.950 2.694 17519
9667 1 18 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.014 -0.073 17519
9668 1 18 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.979 1.777 17519
9669 1 18 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.542 -2.392 17519
9670 1 18 . 1 1 32 32 ALA H H 561 8.828 8.828 8.241 0.587 17519
9671 1 18 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.247 -0.349 17519
9672 1 18 . 1 1 33 33 PRO C C 562 173.280 173.280 176.841 -3.561 17519
9673 1 18 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.035 1.404 17519
9674 1 18 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.469 0.042 17519
9675 1 18 . 1 1 34 34 GLY N N 563 112.224 112.224 109.638 2.586 17519
9676 1 18 . 1 1 34 34 GLY C C 563 173.977 173.977 174.343 -0.366 17519
9677 1 18 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.228 -2.279 17519
9678 1 18 . 1 1 34 34 GLY H H 563 8.763 8.763 7.563 1.200 17519
9679 1 18 . 1 1 35 35 VAL N N 564 123.427 123.427 117.719 5.708 17519
9680 1 18 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.395 0.006 17519
9681 1 18 . 1 1 35 35 VAL C C 564 174.734 174.734 174.311 0.423 17519
9682 1 18 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.527 1.361 17519
9683 1 18 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.496 -0.595 17519
9684 1 18 . 1 1 36 36 LYS N N 565 128.212 128.212 123.485 4.727 17519
9685 1 18 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.687 -0.578 17519
9686 1 18 . 1 1 36 36 LYS C C 565 176.437 176.437 175.746 0.691 17519
9687 1 18 . 1 1 36 36 LYS CA C 565 57.187 57.187 54.873 2.314 17519
9688 1 18 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.167 0.247 17519
9689 1 18 . 1 1 36 36 LYS H H 565 8.486 8.486 8.230 0.256 17519
9690 1 18 . 1 1 37 37 MET N N 566 124.964 124.964 123.252 1.712 17519
9691 1 18 . 1 1 37 37 MET HA H 566 4.228 4.228 4.069 0.159 17519
9692 1 18 . 1 1 37 37 MET C C 566 175.652 175.652 175.752 -0.100 17519
9693 1 18 . 1 1 37 37 MET CA C 566 56.485 56.485 56.950 -0.465 17519
9694 1 18 . 1 1 37 37 MET CB C 566 35.011 35.011 32.232 2.779 17519
9695 1 18 . 1 1 37 37 MET H H 566 8.202 8.202 8.311 -0.109 17519
9696 1 18 . 1 1 38 38 GLN N N 567 121.561 121.561 123.809 -2.248 17519
9697 1 18 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.427 0.010 17519
9698 1 18 . 1 1 38 38 GLN C C 567 175.809 175.809 175.328 0.481 17519
9699 1 18 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.702 0.120 17519
9700 1 18 . 1 1 38 38 GLN CB C 567 30.182 30.182 31.370 -1.188 17519
9701 1 18 . 1 1 38 38 GLN H H 567 8.489 8.489 8.093 0.396 17519
9702 1 18 . 1 1 39 39 ASP N N 568 121.881 121.881 125.637 -3.756 17519
9703 1 18 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.448 0.335 17519
9704 1 18 . 1 1 39 39 ASP C C 568 176.715 176.715 175.912 0.803 17519
9705 1 18 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.403 -0.236 17519
9706 1 18 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.449 -1.210 17519
9707 1 18 . 1 1 39 39 ASP H H 568 8.780 8.780 8.769 0.011 17519
9708 1 18 . 1 1 40 40 ALA N N 569 122.696 122.696 127.088 -4.392 17519
9709 1 18 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.248 0.104 17519
9710 1 18 . 1 1 40 40 ALA C C 569 175.165 175.165 177.404 -2.239 17519
9711 1 18 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.752 -1.259 17519
9712 1 18 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.468 1.267 17519
9713 1 18 . 1 1 40 40 ALA H H 569 8.463 8.463 8.316 0.147 17519
9714 1 18 . 1 1 41 41 GLU N N 570 120.083 120.083 117.804 2.279 17519
9715 1 18 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.456 -0.105 17519
9716 1 18 . 1 1 41 41 GLU C C 570 174.683 174.683 177.153 -2.470 17519
9717 1 18 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.483 1.042 17519
9718 1 18 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.460 -3.229 17519
9719 1 18 . 1 1 41 41 GLU H H 570 10.398 10.398 8.479 1.919 17519
9720 1 18 . 1 1 42 42 ILE N N 571 119.363 119.363 120.539 -1.176 17519
9721 1 18 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.178 0.201 17519
9722 1 18 . 1 1 42 42 ILE C C 571 174.913 174.913 176.210 -1.297 17519
9723 1 18 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.423 -3.603 17519
9724 1 18 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.305 1.281 17519
9725 1 18 . 1 1 42 42 ILE H H 571 6.526 6.526 8.014 -1.488 17519
9726 1 18 . 1 1 43 43 SER N N 572 121.258 121.258 115.616 5.642 17519
9727 1 18 . 1 1 43 43 SER HA H 572 4.352 4.352 4.542 -0.190 17519
9728 1 18 . 1 1 43 43 SER C C 572 175.617 175.617 174.084 1.533 17519
9729 1 18 . 1 1 43 43 SER CA C 572 60.125 60.125 58.832 1.293 17519
9730 1 18 . 1 1 43 43 SER CB C 572 63.063 63.063 63.415 -0.352 17519
9731 1 18 . 1 1 43 43 SER H H 572 8.618 8.618 7.985 0.633 17519
9732 1 18 . 1 1 44 44 GLY N N 573 111.836 111.836 111.512 0.324 17519
9733 1 18 . 1 1 44 44 GLY C C 573 173.828 173.828 172.893 0.935 17519
9734 1 18 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.360 -0.505 17519
9735 1 18 . 1 1 44 44 GLY H H 573 8.691 8.691 8.815 -0.124 17519
9736 1 18 . 1 1 45 45 TYR N N 574 116.297 116.297 120.222 -3.925 17519
9737 1 18 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.855 0.906 17519
9738 1 18 . 1 1 45 45 TYR C C 574 175.520 175.520 174.439 1.081 17519
9739 1 18 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.052 -0.533 17519
9740 1 18 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.720 1.197 17519
9741 1 18 . 1 1 45 45 TYR H H 574 7.854 7.854 7.555 0.299 17519
9742 1 18 . 1 1 46 46 ALA N N 575 126.117 126.117 123.217 2.900 17519
9743 1 18 . 1 1 46 46 ALA HA H 575 5.407 5.407 5.200 0.207 17519
9744 1 18 . 1 1 46 46 ALA C C 575 176.096 176.096 175.162 0.934 17519
9745 1 18 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.127 0.245 17519
9746 1 18 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.750 2.616 17519
9747 1 18 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.393 0.317 17519
9748 1 18 . 1 1 47 47 LYS C C 576 173.794 173.794 174.604 -0.810 17519
9749 1 18 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.342 0.049 17519
9750 1 18 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.713 0.228 17519
9751 1 18 . 1 1 48 48 ILE N N 577 120.000 120.000 122.277 -2.277 17519
9752 1 18 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.661 -0.216 17519
9753 1 18 . 1 1 48 48 ILE C C 577 171.242 171.242 173.286 -2.044 17519
9754 1 18 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.713 0.667 17519
9755 1 18 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.012 0.304 17519
9756 1 18 . 1 1 48 48 ILE H H 577 8.041 8.041 8.983 -0.942 17519
9757 1 18 . 1 1 49 49 THR N N 578 122.357 122.357 122.048 0.309 17519
9758 1 18 . 1 1 49 49 THR HA H 578 5.344 5.344 5.632 -0.288 17519
9759 1 18 . 1 1 49 49 THR C C 578 173.601 173.601 173.908 -0.307 17519
9760 1 18 . 1 1 49 49 THR CA C 578 61.849 61.849 60.566 1.283 17519
9761 1 18 . 1 1 49 49 THR CB C 578 70.593 70.593 71.077 -0.484 17519
9762 1 18 . 1 1 49 49 THR H H 578 8.043 8.043 8.222 -0.179 17519
9763 1 18 . 1 1 50 50 VAL N N 579 126.489 126.489 123.605 2.884 17519
9764 1 18 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.125 0.015 17519
9765 1 18 . 1 1 50 50 VAL C C 579 174.015 174.015 173.830 0.185 17519
9766 1 18 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.594 -0.342 17519
9767 1 18 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.279 -0.126 17519
9768 1 18 . 1 1 50 50 VAL H H 579 9.349 9.349 8.508 0.841 17519
9769 1 18 . 1 1 51 51 ASP N N 580 126.891 126.891 125.308 1.583 17519
9770 1 18 . 1 1 51 51 ASP HA H 580 4.867 4.867 4.982 -0.115 17519
9771 1 18 . 1 1 51 51 ASP C C 580 176.752 176.752 176.288 0.464 17519
9772 1 18 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.261 0.265 17519
9773 1 18 . 1 1 51 51 ASP CB C 580 41.816 41.816 42.572 -0.756 17519
9774 1 18 . 1 1 51 51 ASP H H 580 8.616 8.616 8.471 0.145 17519
9775 1 18 . 1 1 52 52 ILE N N 581 118.893 118.893 118.004 0.889 17519
9776 1 18 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.364 0.224 17519
9777 1 18 . 1 1 52 52 ILE C C 581 176.717 176.717 176.215 0.502 17519
9778 1 18 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.030 0.071 17519
9779 1 18 . 1 1 52 52 ILE CB C 581 38.055 38.055 39.193 -1.138 17519
9780 1 18 . 1 1 52 52 ILE H H 581 8.627 8.627 7.683 0.944 17519
9781 1 18 . 1 1 53 53 GLY N N 582 114.728 114.728 110.187 4.541 17519
9782 1 18 . 1 1 53 53 GLY C C 582 174.442 174.442 175.007 -0.565 17519
9783 1 18 . 1 1 53 53 GLY CA C 582 47.605 47.605 45.680 1.925 17519
9784 1 18 . 1 1 53 53 GLY H H 582 9.075 9.075 7.866 1.209 17519
9785 1 18 . 1 1 54 54 SER N N 583 120.404 120.404 117.548 2.856 17519
9786 1 18 . 1 1 54 54 SER HA H 583 4.549 4.549 4.019 0.530 17519
9787 1 18 . 1 1 54 54 SER C C 583 175.149 175.149 172.866 2.283 17519
9788 1 18 . 1 1 54 54 SER CA C 583 58.133 58.133 59.229 -1.096 17519
9789 1 18 . 1 1 54 54 SER CB C 583 63.647 63.647 62.837 0.810 17519
9790 1 18 . 1 1 54 54 SER H H 583 8.812 8.812 8.104 0.708 17519
9791 1 18 . 1 1 55 55 ALA N N 584 125.527 125.527 123.010 2.517 17519
9792 1 18 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.526 -0.109 17519
9793 1 18 . 1 1 55 55 ALA C C 584 175.867 175.867 175.204 0.663 17519
9794 1 18 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.140 0.227 17519
9795 1 18 . 1 1 55 55 ALA CB C 584 20.064 20.064 21.385 -1.321 17519
9796 1 18 . 1 1 55 55 ALA H H 584 7.820 7.820 8.011 -0.191 17519
9797 1 18 . 1 1 56 56 SER N N 585 109.786 109.786 114.931 -5.145 17519
9798 1 18 . 1 1 56 56 SER HA H 585 4.564 4.564 4.579 -0.015 17519
9799 1 18 . 1 1 56 56 SER C C 585 173.978 173.978 173.936 0.042 17519
9800 1 18 . 1 1 56 56 SER CA C 585 58.220 58.220 58.667 -0.447 17519
9801 1 18 . 1 1 56 56 SER CB C 585 64.962 64.962 63.731 1.231 17519
9802 1 18 . 1 1 56 56 SER H H 585 8.785 8.785 8.508 0.277 17519
9803 1 18 . 1 1 57 57 GLN N N 586 116.690 116.690 119.414 -2.724 17519
9804 1 18 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.806 0.342 17519
9805 1 18 . 1 1 57 57 GLN C C 586 172.923 172.923 173.216 -0.293 17519
9806 1 18 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.444 -1.448 17519
9807 1 18 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.773 1.767 17519
9808 1 18 . 1 1 57 57 GLN H H 586 7.144 7.144 7.577 -0.433 17519
9809 1 18 . 1 1 58 58 LEU N N 587 123.011 123.011 122.567 0.444 17519
9810 1 18 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.033 -0.365 17519
9811 1 18 . 1 1 58 58 LEU C C 587 173.426 173.426 174.246 -0.820 17519
9812 1 18 . 1 1 58 58 LEU CA C 587 53.378 53.378 54.226 -0.848 17519
9813 1 18 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.291 1.367 17519
9814 1 18 . 1 1 58 58 LEU H H 587 9.226 9.226 9.263 -0.037 17519
9815 1 18 . 1 1 59 59 GLU N N 588 129.185 129.185 123.742 5.443 17519
9816 1 18 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.586 -0.277 17519
9817 1 18 . 1 1 59 59 GLU C C 588 175.409 175.409 175.267 0.142 17519
9818 1 18 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.002 0.648 17519
9819 1 18 . 1 1 59 59 GLU CB C 588 32.048 32.048 31.743 0.305 17519
9820 1 18 . 1 1 59 59 GLU H H 588 8.830 8.830 8.488 0.342 17519
9821 1 18 . 1 1 60 60 ALA N N 589 126.011 126.011 124.966 1.045 17519
9822 1 18 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.531 0.372 17519
9823 1 18 . 1 1 60 60 ALA C C 589 174.861 174.861 175.694 -0.833 17519
9824 1 18 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.502 -0.355 17519
9825 1 18 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.298 1.559 17519
9826 1 18 . 1 1 60 60 ALA H H 589 9.748 9.748 8.609 1.139 17519
9827 1 18 . 1 1 61 61 ALA N N 590 120.783 120.783 123.494 -2.711 17519
9828 1 18 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.450 -0.633 17519
9829 1 18 . 1 1 61 61 ALA C C 590 174.731 174.731 175.550 -0.819 17519
9830 1 18 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.778 0.350 17519
9831 1 18 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.575 0.525 17519
9832 1 18 . 1 1 61 61 ALA H H 590 9.392 9.392 8.714 0.678 17519
9833 1 18 . 1 1 62 62 PHE N N 591 116.572 116.572 118.276 -1.704 17519
9834 1 18 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.839 1.168 17519
9835 1 18 . 1 1 62 62 PHE C C 591 175.059 175.059 173.985 1.074 17519
9836 1 18 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.639 -0.183 17519
9837 1 18 . 1 1 62 62 PHE CB C 591 43.323 43.323 43.250 0.073 17519
9838 1 18 . 1 1 62 62 PHE H H 591 8.394 8.394 8.807 -0.413 17519
9839 1 18 . 1 1 63 63 ASN N N 592 116.166 116.166 121.158 -4.992 17519
9840 1 18 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.407 -0.243 17519
9841 1 18 . 1 1 63 63 ASN C C 592 172.073 172.073 174.347 -2.274 17519
9842 1 18 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.614 2.113 17519
9843 1 18 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.641 -0.409 17519
9844 1 18 . 1 1 63 63 ASN H H 592 9.117 9.117 8.538 0.579 17519
9845 1 18 . 1 1 64 64 ASP N N 593 118.039 118.039 118.939 -0.900 17519
9846 1 18 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.320 -0.101 17519
9847 1 18 . 1 1 64 64 ASP C C 593 177.248 177.248 176.972 0.276 17519
9848 1 18 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.716 -3.465 17519
9849 1 18 . 1 1 64 64 ASP CB C 593 40.722 40.722 41.154 -0.432 17519
9850 1 18 . 1 1 64 64 ASP H H 593 7.558 7.558 8.075 -0.517 17519
9851 1 18 . 1 1 65 65 GLY N N 594 110.622 110.622 107.681 2.941 17519
9852 1 18 . 1 1 65 65 GLY C C 594 173.126 173.126 173.436 -0.310 17519
9853 1 18 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.264 0.265 17519
9854 1 18 . 1 1 65 65 GLY H H 594 8.742 8.742 7.964 0.778 17519
9855 1 18 . 1 1 66 66 ASN N N 595 120.863 120.863 118.812 2.051 17519
9856 1 18 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.890 -0.133 17519
9857 1 18 . 1 1 66 66 ASN C C 595 174.434 174.434 173.809 0.625 17519
9858 1 18 . 1 1 66 66 ASN CA C 595 52.167 52.167 54.053 -1.886 17519
9859 1 18 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.746 0.642 17519
9860 1 18 . 1 1 66 66 ASN H H 595 8.424 8.424 7.845 0.579 17519
9861 1 18 . 1 1 67 67 ASN N N 596 113.308 113.308 119.282 -5.974 17519
9862 1 18 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.765 -0.535 17519
9863 1 18 . 1 1 67 67 ASN C C 596 173.796 173.796 174.442 -0.646 17519
9864 1 18 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.536 -0.111 17519
9865 1 18 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.569 -1.416 17519
9866 1 18 . 1 1 67 67 ASN H H 596 8.744 8.744 8.828 -0.084 17519
9867 1 18 . 1 1 68 68 ASN N N 597 118.418 118.418 121.446 -3.028 17519
9868 1 18 . 1 1 68 68 ASN HA H 597 5.118 5.118 5.059 0.059 17519
9869 1 18 . 1 1 68 68 ASN C C 597 173.474 173.474 173.801 -0.327 17519
9870 1 18 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.420 0.718 17519
9871 1 18 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.241 0.381 17519
9872 1 18 . 1 1 68 68 ASN H H 597 8.032 8.032 8.291 -0.259 17519
9873 1 18 . 1 1 69 69 TRP N N 598 120.990 120.990 123.754 -2.764 17519
9874 1 18 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.223 -0.367 17519
9875 1 18 . 1 1 69 69 TRP C C 598 176.220 176.220 176.780 -0.560 17519
9876 1 18 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.523 0.710 17519
9877 1 18 . 1 1 69 69 TRP CB C 598 32.219 32.219 30.063 2.156 17519
9878 1 18 . 1 1 69 69 TRP H H 598 8.842 8.842 8.059 0.783 17519
9879 1 18 . 1 1 70 70 ASP N N 599 122.210 122.210 122.955 -0.745 17519
9880 1 18 . 1 1 70 70 ASP HA H 599 5.247 5.247 4.843 0.404 17519
9881 1 18 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.766 -1.520 17519
9882 1 18 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.190 0.708 17519
9883 1 18 . 1 1 70 70 ASP H H 599 9.831 9.831 8.999 0.832 17519
9884 1 18 . 1 1 71 71 SER N N 600 117.252 117.252 116.571 0.681 17519
9885 1 18 . 1 1 71 71 SER HA H 600 5.141 5.141 4.414 0.727 17519
9886 1 18 . 1 1 71 71 SER CA C 600 55.907 55.907 60.969 -5.062 17519
9887 1 18 . 1 1 71 71 SER H H 600 9.328 9.328 8.504 0.824 17519
9888 1 18 . 1 1 72 72 ASN N N 601 123.197 123.197 117.805 5.392 17519
9889 1 18 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.773 -0.344 17519
9890 1 18 . 1 1 72 72 ASN C C 601 176.895 176.895 174.707 2.188 17519
9891 1 18 . 1 1 72 72 ASN CA C 601 53.093 53.093 53.760 -0.667 17519
9892 1 18 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.555 0.595 17519
9893 1 18 . 1 1 72 72 ASN H H 601 8.715 8.715 8.470 0.245 17519
9894 1 18 . 1 1 73 73 ASN N N 602 116.099 116.099 118.180 -2.081 17519
9895 1 18 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.427 0.017 17519
9896 1 18 . 1 1 73 73 ASN C C 602 176.304 176.304 174.459 1.845 17519
9897 1 18 . 1 1 73 73 ASN CA C 602 54.465 54.465 56.054 -1.589 17519
9898 1 18 . 1 1 73 73 ASN CB C 602 37.277 37.277 37.791 -0.514 17519
9899 1 18 . 1 1 73 73 ASN H H 602 9.184 9.184 8.611 0.573 17519
9900 1 18 . 1 1 74 74 THR N N 603 110.445 110.445 114.060 -3.615 17519
9901 1 18 . 1 1 74 74 THR HA H 603 3.835 3.835 4.320 -0.485 17519
9902 1 18 . 1 1 74 74 THR C C 603 173.186 173.186 172.815 0.371 17519
9903 1 18 . 1 1 74 74 THR CA C 603 65.006 65.006 62.821 2.186 17519
9904 1 18 . 1 1 74 74 THR CB C 603 69.653 69.653 68.813 0.840 17519
9905 1 18 . 1 1 74 74 THR H H 603 7.829 7.829 8.173 -0.344 17519
9906 1 18 . 1 1 75 75 LYS N N 604 121.909 121.909 121.645 0.264 17519
9907 1 18 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.501 -0.364 17519
9908 1 18 . 1 1 75 75 LYS C C 604 177.262 177.262 175.139 2.123 17519
9909 1 18 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.852 1.915 17519
9910 1 18 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.008 -0.632 17519
9911 1 18 . 1 1 75 75 LYS H H 604 7.714 7.714 7.883 -0.169 17519
9912 1 18 . 1 1 76 76 ASN N N 605 108.823 108.823 118.076 -9.253 17519
9913 1 18 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.434 -0.494 17519
9914 1 18 . 1 1 76 76 ASN C C 605 171.742 171.742 174.463 -2.721 17519
9915 1 18 . 1 1 76 76 ASN CA C 605 54.159 54.159 53.951 0.208 17519
9916 1 18 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.815 0.213 17519
9917 1 18 . 1 1 76 76 ASN H H 605 8.274 8.274 8.075 0.199 17519
9918 1 18 . 1 1 77 77 TYR N N 606 117.628 117.628 116.224 1.404 17519
9919 1 18 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.577 0.250 17519
9920 1 18 . 1 1 77 77 TYR C C 606 174.468 174.468 174.008 0.460 17519
9921 1 18 . 1 1 77 77 TYR CA C 606 57.569 57.569 56.873 0.696 17519
9922 1 18 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.470 0.085 17519
9923 1 18 . 1 1 77 77 TYR H H 606 9.055 9.055 8.352 0.703 17519
9924 1 18 . 1 1 78 78 LEU N N 607 121.811 121.811 117.814 3.997 17519
9925 1 18 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.546 0.757 17519
9926 1 18 . 1 1 78 78 LEU C C 607 175.673 175.673 175.197 0.476 17519
9927 1 18 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.182 -0.938 17519
9928 1 18 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.805 1.166 17519
9929 1 18 . 1 1 78 78 LEU H H 607 7.983 7.983 8.120 -0.137 17519
9930 1 18 . 1 1 79 79 PHE N N 608 121.390 121.390 121.221 0.169 17519
9931 1 18 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.956 -0.129 17519
9932 1 18 . 1 1 79 79 PHE C C 608 175.786 175.786 174.940 0.846 17519
9933 1 18 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.643 0.208 17519
9934 1 18 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.679 -0.116 17519
9935 1 18 . 1 1 79 79 PHE H H 608 9.240 9.240 8.982 0.258 17519
9936 1 18 . 1 1 80 80 SER N N 609 117.589 117.589 116.031 1.558 17519
9937 1 18 . 1 1 80 80 SER HA H 609 4.979 4.979 4.737 0.242 17519
9938 1 18 . 1 1 80 80 SER C C 609 173.269 173.269 173.952 -0.683 17519
9939 1 18 . 1 1 80 80 SER CA C 609 57.811 57.811 56.023 1.788 17519
9940 1 18 . 1 1 80 80 SER CB C 609 64.856 64.856 64.546 0.310 17519
9941 1 18 . 1 1 80 80 SER H H 609 8.948 8.948 8.754 0.194 17519
9942 1 18 . 1 1 81 81 THR N N 610 112.845 112.845 112.935 -0.090 17519
9943 1 18 . 1 1 81 81 THR HA H 610 3.871 3.871 4.376 -0.505 17519
9944 1 18 . 1 1 81 81 THR C C 610 174.439 174.439 175.549 -1.110 17519
9945 1 18 . 1 1 81 81 THR CA C 610 64.353 64.353 63.312 1.041 17519
9946 1 18 . 1 1 81 81 THR CB C 610 69.421 69.421 69.396 0.025 17519
9947 1 18 . 1 1 82 82 GLY N N 611 112.157 112.157 111.317 0.840 17519
9948 1 18 . 1 1 82 82 GLY C C 611 174.430 174.430 172.909 1.521 17519
9949 1 18 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.842 -0.976 17519
9950 1 18 . 1 1 82 82 GLY H H 611 8.468 8.468 8.255 0.213 17519
9951 1 18 . 1 1 83 83 THR N N 612 120.992 120.992 119.745 1.247 17519
9952 1 18 . 1 1 83 83 THR HA H 612 5.483 5.483 4.732 0.751 17519
9953 1 18 . 1 1 83 83 THR C C 612 174.819 174.819 173.312 1.507 17519
9954 1 18 . 1 1 83 83 THR CA C 612 62.563 62.563 61.887 0.676 17519
9955 1 18 . 1 1 83 83 THR CB C 612 70.093 70.093 71.328 -1.235 17519
9956 1 18 . 1 1 83 83 THR H H 612 8.736 8.736 8.276 0.460 17519
9957 1 18 . 1 1 84 84 SER N N 613 122.602 122.602 119.854 2.748 17519
9958 1 18 . 1 1 84 84 SER HA H 613 5.489 5.489 4.949 0.540 17519
9959 1 18 . 1 1 84 84 SER C C 613 172.064 172.064 172.927 -0.863 17519
9960 1 18 . 1 1 84 84 SER CA C 613 58.813 58.813 57.437 1.376 17519
9961 1 18 . 1 1 84 84 SER CB C 613 67.694 67.694 66.388 1.306 17519
9962 1 18 . 1 1 84 84 SER H H 613 9.051 9.051 9.101 -0.050 17519
9963 1 18 . 1 1 85 85 THR N N 614 117.759 117.759 120.353 -2.594 17519
9964 1 18 . 1 1 85 85 THR HA H 614 5.256 5.256 5.071 0.185 17519
9965 1 18 . 1 1 85 85 THR C C 614 173.632 173.632 172.840 0.792 17519
9966 1 18 . 1 1 85 85 THR CA C 614 62.724 62.724 62.158 0.566 17519
9967 1 18 . 1 1 85 85 THR CB C 614 70.908 70.908 71.409 -0.501 17519
9968 1 18 . 1 1 85 85 THR H H 614 9.523 9.523 8.497 1.026 17519
9969 1 18 . 1 1 86 86 TYR N N 615 131.519 131.519 128.425 3.094 17519
9970 1 18 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.609 0.604 17519
9971 1 18 . 1 1 86 86 TYR C C 615 172.999 172.999 174.394 -1.395 17519
9972 1 18 . 1 1 86 86 TYR CA C 615 57.163 57.163 57.336 -0.173 17519
9973 1 18 . 1 1 86 86 TYR CB C 615 41.569 41.569 41.211 0.358 17519
9974 1 18 . 1 1 86 86 TYR H H 615 10.029 10.029 9.590 0.439 17519
9975 1 18 . 1 1 87 87 THR N N 616 124.674 124.674 123.497 1.177 17519
9976 1 18 . 1 1 87 87 THR HA H 616 4.370 4.370 4.874 -0.504 17519
9977 1 18 . 1 1 87 87 THR CA C 616 58.725 58.725 59.753 -1.028 17519
9978 1 18 . 1 1 87 87 THR CB C 616 70.070 70.070 69.562 0.508 17519
9979 1 18 . 1 1 87 87 THR H H 616 8.027 8.027 8.909 -0.882 17519
9980 1 18 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.535 -0.443 17519
9981 1 18 . 1 1 88 88 PRO C C 617 177.011 177.011 176.913 0.098 17519
9982 1 18 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.247 0.640 17519
9983 1 18 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.667 -0.343 17519
9984 1 18 . 1 1 89 89 GLY N N 618 108.881 108.881 108.021 0.860 17519
9985 1 18 . 1 1 89 89 GLY C C 618 173.673 173.673 174.261 -0.588 17519
9986 1 18 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.942 -0.946 17519
9987 1 18 . 1 1 89 89 GLY H H 618 8.261 8.261 7.999 0.262 17519
9988 1 18 . 1 1 90 90 SER N N 619 114.743 114.743 113.748 0.995 17519
9989 1 18 . 1 1 90 90 SER HA H 619 4.537 4.537 4.396 0.141 17519
9990 1 18 . 1 1 90 90 SER C C 619 175.706 175.706 174.927 0.779 17519
9991 1 18 . 1 1 90 90 SER CA C 619 57.617 57.617 59.519 -1.902 17519
9992 1 18 . 1 1 90 90 SER CB C 619 64.294 64.294 64.143 0.151 17519
9993 1 18 . 1 1 90 90 SER H H 619 8.380 8.380 8.353 0.027 17519
9994 1 18 . 1 1 91 91 ASN N N 620 121.360 121.360 121.544 -0.184 17519
9995 1 18 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.896 -0.484 17519
9996 1 18 . 1 1 91 91 ASN C C 620 175.289 175.289 174.761 0.528 17519
9997 1 18 . 1 1 91 91 ASN CA C 620 54.353 54.353 52.401 1.952 17519
9998 1 18 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.748 -0.015 17519
9999 1 18 . 1 1 91 91 ASN H H 620 9.296 9.296 8.287 1.009 17519
10000 1 18 . 1 1 92 92 GLY N N 621 105.883 105.883 107.838 -1.955 17519
10001 1 18 . 1 1 92 92 GLY C C 621 174.510 174.510 173.598 0.912 17519
10002 1 18 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.173 -0.945 17519
10003 1 18 . 1 1 92 92 GLY H H 621 8.528 8.528 7.946 0.582 17519
10004 1 18 . 1 1 93 93 ALA N N 622 123.803 123.803 121.840 1.963 17519
10005 1 18 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.554 -0.138 17519
10006 1 18 . 1 1 93 93 ALA C C 622 176.820 176.820 176.338 0.482 17519
10007 1 18 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.710 1.141 17519
10008 1 18 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.330 -0.526 17519
10009 1 18 . 1 1 93 93 ALA H H 622 7.486 7.486 7.929 -0.443 17519
10010 1 18 . 1 1 94 94 ALA N N 623 123.284 123.284 127.009 -3.725 17519
10011 1 18 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.271 0.319 17519
10012 1 18 . 1 1 94 94 ALA C C 623 178.770 178.770 177.664 1.106 17519
10013 1 18 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.202 -0.575 17519
10014 1 18 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.302 0.785 17519
10015 1 18 . 1 1 94 94 ALA H H 623 8.397 8.397 8.717 -0.320 17519
10016 1 18 . 1 1 95 95 GLY N N 624 108.970 108.970 111.283 -2.313 17519
10017 1 18 . 1 1 95 95 GLY C C 624 173.156 173.156 173.152 0.004 17519
10018 1 18 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.770 0.087 17519
10019 1 18 . 1 1 95 95 GLY H H 624 8.438 8.438 8.688 -0.250 17519
10020 1 18 . 1 1 96 96 THR N N 625 108.929 108.929 112.398 -3.469 17519
10021 1 18 . 1 1 96 96 THR HA H 625 4.603 4.603 4.354 0.249 17519
10022 1 18 . 1 1 96 96 THR C C 625 172.765 172.765 172.407 0.358 17519
10023 1 18 . 1 1 96 96 THR CA C 625 60.350 60.350 60.923 -0.573 17519
10024 1 18 . 1 1 96 96 THR CB C 625 72.295 72.295 72.182 0.113 17519
10025 1 18 . 1 1 96 96 THR H H 625 7.833 7.833 7.889 -0.056 17519
10026 1 18 . 1 1 97 97 ILE N N 626 123.623 123.623 119.907 3.716 17519
10027 1 18 . 1 1 97 97 ILE HA H 626 4.817 4.817 4.964 -0.147 17519
10028 1 18 . 1 1 97 97 ILE C C 626 175.596 175.596 175.176 0.420 17519
10029 1 18 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.468 1.581 17519
10030 1 18 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.834 1.345 17519
10031 1 18 . 1 1 97 97 ILE H H 626 8.594 8.594 8.093 0.501 17519
10032 1 18 . 1 1 98 98 ARG N N 627 127.431 127.431 127.325 0.106 17519
10033 1 18 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.676 0.259 17519
10034 1 18 . 1 1 98 98 ARG C C 627 175.183 175.183 175.043 0.140 17519
10035 1 18 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.066 -0.298 17519
10036 1 18 . 1 1 98 98 ARG CB C 627 33.776 33.776 33.065 0.711 17519
10037 1 18 . 1 1 98 98 ARG H H 627 8.979 8.979 8.838 0.141 17519
10038 1 18 . 1 1 99 99 THR N N 628 118.452 118.452 118.357 0.095 17519
10039 1 18 . 1 1 99 99 THR HA H 628 4.410 4.410 4.446 -0.036 17519
10040 1 18 . 1 1 99 99 THR C C 628 174.845 174.845 175.105 -0.260 17519
10041 1 18 . 1 1 99 99 THR CA C 628 63.962 63.962 61.740 2.222 17519
10042 1 18 . 1 1 99 99 THR CB C 628 69.488 69.488 69.118 0.370 17519
10043 1 18 . 1 1 99 99 THR H H 628 8.697 8.697 8.383 0.314 17519
10044 1 18 . 1 1 100 100 GLY N N 629 114.137 114.137 109.653 4.484 17519
10045 1 18 . 1 1 100 100 GLY C C 629 171.903 171.903 172.931 -1.028 17519
10046 1 18 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.371 -0.624 17519
10047 1 18 . 1 1 100 100 GLY H H 629 8.626 8.626 8.101 0.525 17519
10048 1 18 . 1 1 101 101 ALA N N 630 120.627 120.627 124.599 -3.972 17519
10049 1 18 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.182 -0.490 17519
10050 1 18 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.834 -1.406 17519
10051 1 18 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.310 -0.239 17519
10052 1 18 . 1 1 101 101 ALA H H 630 7.980 7.980 8.196 -0.216 17519
10053 1 18 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.601 -0.476 17519
10054 1 18 . 1 1 102 102 PRO C C 631 175.721 175.721 176.074 -0.353 17519
10055 1 18 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.456 0.484 17519
10056 1 18 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.961 -1.216 17519
10057 1 18 . 1 1 103 103 SER N N 632 113.689 113.689 115.312 -1.623 17519
10058 1 18 . 1 1 103 103 SER HA H 632 4.295 4.295 4.325 -0.030 17519
10059 1 18 . 1 1 103 103 SER C C 632 173.816 173.816 174.228 -0.412 17519
10060 1 18 . 1 1 103 103 SER CA C 632 57.689 57.689 58.458 -0.769 17519
10061 1 18 . 1 1 103 103 SER CB C 632 64.133 64.133 63.338 0.795 17519
10062 1 18 . 1 1 103 103 SER H H 632 7.969 7.969 8.114 -0.145 17519
10063 1 19 . 1 1 2 2 GLY C C 531 174.309 174.309 173.163 1.146 17519
10064 1 19 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.005 0.171 17519
10065 1 19 . 1 1 3 3 THR N N 532 113.802 113.802 114.017 -0.215 17519
10066 1 19 . 1 1 3 3 THR HA H 532 4.429 4.429 4.404 0.025 17519
10067 1 19 . 1 1 3 3 THR C C 532 174.430 174.430 172.941 1.489 17519
10068 1 19 . 1 1 3 3 THR CA C 532 61.577 61.577 61.589 -0.012 17519
10069 1 19 . 1 1 3 3 THR CB C 532 69.849 69.849 71.024 -1.175 17519
10070 1 19 . 1 1 3 3 THR H H 532 8.140 8.140 8.118 0.022 17519
10071 1 19 . 1 1 4 4 THR N N 533 115.407 115.407 114.763 0.644 17519
10072 1 19 . 1 1 4 4 THR HA H 533 4.350 4.350 4.608 -0.258 17519
10073 1 19 . 1 1 4 4 THR C C 533 173.831 173.831 172.749 1.082 17519
10074 1 19 . 1 1 4 4 THR CA C 533 60.266 60.266 61.103 -0.837 17519
10075 1 19 . 1 1 4 4 THR CB C 533 69.788 69.788 71.067 -1.279 17519
10076 1 19 . 1 1 4 4 THR H H 533 8.019 8.019 8.205 -0.186 17519
10077 1 19 . 1 1 5 5 ASN N N 534 121.822 121.822 118.646 3.176 17519
10078 1 19 . 1 1 5 5 ASN HA H 534 4.836 4.836 5.038 -0.202 17519
10079 1 19 . 1 1 5 5 ASN C C 534 174.057 174.057 173.845 0.212 17519
10080 1 19 . 1 1 5 5 ASN CA C 534 52.686 52.686 51.898 0.788 17519
10081 1 19 . 1 1 5 5 ASN CB C 534 39.156 39.156 41.005 -1.849 17519
10082 1 19 . 1 1 5 5 ASN H H 534 8.863 8.863 8.694 0.169 17519
10083 1 19 . 1 1 6 6 LYS N N 535 119.369 119.369 118.377 0.992 17519
10084 1 19 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.138 0.047 17519
10085 1 19 . 1 1 6 6 LYS C C 535 175.924 175.924 174.976 0.948 17519
10086 1 19 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.080 -0.549 17519
10087 1 19 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.457 -0.441 17519
10088 1 19 . 1 1 6 6 LYS H H 535 8.347 8.347 8.326 0.021 17519
10089 1 19 . 1 1 7 7 VAL N N 536 123.112 123.112 118.082 5.030 17519
10090 1 19 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.642 -0.069 17519
10091 1 19 . 1 1 7 7 VAL C C 536 174.602 174.602 174.769 -0.167 17519
10092 1 19 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.183 0.962 17519
10093 1 19 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.602 2.171 17519
10094 1 19 . 1 1 7 7 VAL H H 536 8.828 8.828 9.011 -0.183 17519
10095 1 19 . 1 1 8 8 THR N N 537 125.255 125.255 124.334 0.921 17519
10096 1 19 . 1 1 8 8 THR HA H 537 5.396 5.396 5.422 -0.026 17519
10097 1 19 . 1 1 8 8 THR C C 537 173.129 173.129 173.847 -0.718 17519
10098 1 19 . 1 1 8 8 THR CA C 537 61.611 61.611 61.832 -0.221 17519
10099 1 19 . 1 1 8 8 THR CB C 537 70.113 70.113 69.816 0.298 17519
10100 1 19 . 1 1 8 8 THR H H 537 8.914 8.914 8.736 0.178 17519
10101 1 19 . 1 1 9 9 VAL N N 538 126.696 126.696 126.639 0.057 17519
10102 1 19 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.865 -0.331 17519
10103 1 19 . 1 1 9 9 VAL C C 538 175.565 175.565 174.512 1.053 17519
10104 1 19 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.548 0.331 17519
10105 1 19 . 1 1 9 9 VAL CB C 538 35.179 35.179 33.912 1.267 17519
10106 1 19 . 1 1 9 9 VAL H H 538 8.585 8.585 8.914 -0.329 17519
10107 1 19 . 1 1 10 10 TYR N N 539 124.488 124.488 127.572 -3.084 17519
10108 1 19 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.261 -0.003 17519
10109 1 19 . 1 1 10 10 TYR C C 539 174.309 174.309 174.757 -0.448 17519
10110 1 19 . 1 1 10 10 TYR CA C 539 57.266 57.266 57.061 0.205 17519
10111 1 19 . 1 1 10 10 TYR CB C 539 40.410 40.410 41.035 -0.625 17519
10112 1 19 . 1 1 10 10 TYR H H 539 9.111 9.111 9.365 -0.254 17519
10113 1 19 . 1 1 11 11 TYR N N 540 125.848 125.848 125.557 0.291 17519
10114 1 19 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.569 -0.543 17519
10115 1 19 . 1 1 11 11 TYR C C 540 173.346 173.346 174.149 -0.803 17519
10116 1 19 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.672 0.930 17519
10117 1 19 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.902 0.056 17519
10118 1 19 . 1 1 11 11 TYR H H 540 9.580 9.580 9.043 0.537 17519
10119 1 19 . 1 1 12 12 LYS N N 541 131.489 131.489 128.048 3.441 17519
10120 1 19 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.941 -0.489 17519
10121 1 19 . 1 1 12 12 LYS C C 541 172.904 172.904 174.927 -2.023 17519
10122 1 19 . 1 1 12 12 LYS CA C 541 55.715 55.715 55.314 0.401 17519
10123 1 19 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.871 0.226 17519
10124 1 19 . 1 1 12 12 LYS H H 541 8.406 8.406 7.970 0.436 17519
10125 1 19 . 1 1 13 13 LYS N N 542 125.132 125.132 127.846 -2.714 17519
10126 1 19 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.237 -0.299 17519
10127 1 19 . 1 1 13 13 LYS C C 542 180.078 180.078 175.887 4.191 17519
10128 1 19 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.153 -3.717 17519
10129 1 19 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.982 -1.377 17519
10130 1 19 . 1 1 13 13 LYS H H 542 7.515 7.515 7.887 -0.372 17519
10131 1 19 . 1 1 14 14 GLY N N 543 112.724 112.724 112.623 0.101 17519
10132 1 19 . 1 1 14 14 GLY C C 543 174.151 174.151 173.066 1.085 17519
10133 1 19 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.526 1.764 17519
10134 1 19 . 1 1 14 14 GLY H H 543 7.629 7.629 8.048 -0.419 17519
10135 1 19 . 1 1 15 15 PHE N N 544 121.583 121.583 120.668 0.915 17519
10136 1 19 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.803 -0.081 17519
10137 1 19 . 1 1 15 15 PHE C C 544 175.876 175.876 176.656 -0.780 17519
10138 1 19 . 1 1 15 15 PHE CA C 544 57.110 57.110 60.764 -3.654 17519
10139 1 19 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.415 -2.024 17519
10140 1 19 . 1 1 15 15 PHE H H 544 8.557 8.557 8.862 -0.305 17519
10141 1 19 . 1 1 16 16 ASN N N 545 117.559 117.559 114.215 3.344 17519
10142 1 19 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.816 -0.352 17519
10143 1 19 . 1 1 16 16 ASN C C 545 176.289 176.289 174.909 1.380 17519
10144 1 19 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.480 2.940 17519
10145 1 19 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.985 -0.722 17519
10146 1 19 . 1 1 16 16 ASN H H 545 8.561 8.561 8.259 0.302 17519
10147 1 19 . 1 1 17 17 SER N N 546 112.901 112.901 114.539 -1.638 17519
10148 1 19 . 1 1 17 17 SER HA H 546 4.862 4.862 4.687 0.175 17519
10149 1 19 . 1 1 17 17 SER CA C 546 53.586 53.586 57.034 -3.448 17519
10150 1 19 . 1 1 17 17 SER CB C 546 63.708 63.708 64.033 -0.325 17519
10151 1 19 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.694 -0.101 17519
10152 1 19 . 1 1 18 18 PRO C C 547 175.806 175.806 175.579 0.227 17519
10153 1 19 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.316 0.205 17519
10154 1 19 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.522 0.141 17519
10155 1 19 . 1 1 19 19 TYR N N 548 122.230 122.230 119.598 2.632 17519
10156 1 19 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.459 0.418 17519
10157 1 19 . 1 1 19 19 TYR C C 548 174.660 174.660 174.434 0.226 17519
10158 1 19 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.946 -1.286 17519
10159 1 19 . 1 1 19 19 TYR CB C 548 40.462 40.462 42.489 -2.027 17519
10160 1 19 . 1 1 19 19 TYR H H 548 9.141 9.141 7.979 1.162 17519
10161 1 19 . 1 1 20 20 ILE N N 549 118.425 118.425 118.479 -0.054 17519
10162 1 19 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.594 0.478 17519
10163 1 19 . 1 1 20 20 ILE C C 549 171.422 171.422 173.094 -1.672 17519
10164 1 19 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.894 -0.465 17519
10165 1 19 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.628 0.128 17519
10166 1 19 . 1 1 21 21 HIS N N 550 133.248 133.248 126.642 6.606 17519
10167 1 19 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.630 0.733 17519
10168 1 19 . 1 1 21 21 HIS C C 550 174.988 174.988 173.272 1.716 17519
10169 1 19 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.049 -0.134 17519
10170 1 19 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.398 2.376 17519
10171 1 19 . 1 1 21 21 HIS H H 550 8.956 8.956 8.092 0.864 17519
10172 1 19 . 1 1 22 22 TYR N N 551 121.831 121.831 122.778 -0.947 17519
10173 1 19 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.401 0.782 17519
10174 1 19 . 1 1 22 22 TYR C C 551 173.934 173.934 173.304 0.630 17519
10175 1 19 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.684 1.984 17519
10176 1 19 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.239 1.479 17519
10177 1 19 . 1 1 22 22 TYR H H 551 8.204 8.204 8.203 0.001 17519
10178 1 19 . 1 1 23 23 ARG N N 552 115.619 115.619 118.343 -2.724 17519
10179 1 19 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.686 0.076 17519
10180 1 19 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.639 -0.159 17519
10181 1 19 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.192 -1.154 17519
10182 1 19 . 1 1 23 23 ARG H H 552 8.674 8.674 8.887 -0.213 17519
10183 1 19 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.484 0.072 17519
10184 1 19 . 1 1 24 24 PRO C C 553 176.736 176.736 176.880 -0.144 17519
10185 1 19 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.234 0.118 17519
10186 1 19 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.753 -0.873 17519
10187 1 19 . 1 1 25 25 ALA N N 554 125.908 125.908 124.755 1.153 17519
10188 1 19 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.899 0.123 17519
10189 1 19 . 1 1 25 25 ALA C C 554 179.217 179.217 178.847 0.370 17519
10190 1 19 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.440 -0.354 17519
10191 1 19 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.869 -0.637 17519
10192 1 19 . 1 1 25 25 ALA H H 554 8.293 8.293 8.103 0.190 17519
10193 1 19 . 1 1 26 26 GLY N N 555 111.766 111.766 105.560 6.206 17519
10194 1 19 . 1 1 26 26 GLY C C 555 174.796 174.796 173.450 1.346 17519
10195 1 19 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.903 0.738 17519
10196 1 19 . 1 1 26 26 GLY H H 555 8.602 8.602 7.969 0.633 17519
10197 1 19 . 1 1 27 27 GLY N N 556 109.512 109.512 111.248 -1.736 17519
10198 1 19 . 1 1 27 27 GLY C C 556 173.368 173.368 173.201 0.167 17519
10199 1 19 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.548 -1.342 17519
10200 1 19 . 1 1 27 27 GLY H H 556 8.494 8.494 7.991 0.503 17519
10201 1 19 . 1 1 28 28 SER N N 557 117.962 117.962 114.276 3.686 17519
10202 1 19 . 1 1 28 28 SER HA H 557 4.690 4.690 4.559 0.131 17519
10203 1 19 . 1 1 28 28 SER C C 557 173.656 173.656 172.438 1.218 17519
10204 1 19 . 1 1 28 28 SER CA C 557 57.492 57.492 56.959 0.533 17519
10205 1 19 . 1 1 28 28 SER CB C 557 64.803 64.803 64.408 0.395 17519
10206 1 19 . 1 1 28 28 SER H H 557 8.681 8.681 7.648 1.033 17519
10207 1 19 . 1 1 29 29 TRP N N 558 123.928 123.928 122.013 1.915 17519
10208 1 19 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.746 -0.294 17519
10209 1 19 . 1 1 29 29 TRP C C 558 178.891 178.891 176.772 2.119 17519
10210 1 19 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.532 1.542 17519
10211 1 19 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.624 0.082 17519
10212 1 19 . 1 1 29 29 TRP H H 558 8.392 8.392 8.542 -0.150 17519
10213 1 19 . 1 1 30 30 THR N N 559 111.067 111.067 119.877 -8.810 17519
10214 1 19 . 1 1 30 30 THR HA H 559 4.037 4.037 4.267 -0.230 17519
10215 1 19 . 1 1 30 30 THR C C 559 174.782 174.782 174.621 0.161 17519
10216 1 19 . 1 1 30 30 THR CA C 559 61.321 61.321 63.534 -2.213 17519
10217 1 19 . 1 1 30 30 THR CB C 559 70.561 70.561 69.676 0.885 17519
10218 1 19 . 1 1 30 30 THR H H 559 7.953 7.953 8.456 -0.503 17519
10219 1 19 . 1 1 31 31 ALA N N 560 123.046 123.046 124.463 -1.417 17519
10220 1 19 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.196 0.255 17519
10221 1 19 . 1 1 31 31 ALA C C 560 178.493 178.493 176.636 1.857 17519
10222 1 19 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.107 -0.193 17519
10223 1 19 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.692 -0.693 17519
10224 1 19 . 1 1 31 31 ALA H H 560 8.437 8.437 8.369 0.068 17519
10225 1 19 . 1 1 32 32 ALA N N 561 129.644 129.644 127.935 1.709 17519
10226 1 19 . 1 1 32 32 ALA HA H 561 3.941 3.941 3.914 0.027 17519
10227 1 19 . 1 1 32 32 ALA CA C 561 51.756 51.756 50.026 1.730 17519
10228 1 19 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.348 -2.198 17519
10229 1 19 . 1 1 32 32 ALA H H 561 8.828 8.828 8.187 0.641 17519
10230 1 19 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.284 -0.386 17519
10231 1 19 . 1 1 33 33 PRO C C 562 173.280 173.280 176.556 -3.276 17519
10232 1 19 . 1 1 33 33 PRO CA C 562 63.439 63.439 61.994 1.445 17519
10233 1 19 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.429 0.082 17519
10234 1 19 . 1 1 34 34 GLY N N 563 112.224 112.224 109.248 2.976 17519
10235 1 19 . 1 1 34 34 GLY C C 563 173.977 173.977 174.337 -0.360 17519
10236 1 19 . 1 1 34 34 GLY CA C 563 43.949 43.949 45.723 -1.774 17519
10237 1 19 . 1 1 34 34 GLY H H 563 8.763 8.763 7.903 0.860 17519
10238 1 19 . 1 1 35 35 VAL N N 564 123.427 123.427 118.408 5.019 17519
10239 1 19 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.578 -0.177 17519
10240 1 19 . 1 1 35 35 VAL C C 564 174.734 174.734 174.662 0.072 17519
10241 1 19 . 1 1 35 35 VAL CA C 564 60.888 60.888 60.388 0.500 17519
10242 1 19 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.430 -0.529 17519
10243 1 19 . 1 1 36 36 LYS N N 565 128.212 128.212 123.831 4.381 17519
10244 1 19 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.672 -0.563 17519
10245 1 19 . 1 1 36 36 LYS C C 565 176.437 176.437 176.354 0.083 17519
10246 1 19 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.510 1.677 17519
10247 1 19 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.920 0.494 17519
10248 1 19 . 1 1 36 36 LYS H H 565 8.486 8.486 8.421 0.065 17519
10249 1 19 . 1 1 37 37 MET N N 566 124.964 124.964 122.157 2.807 17519
10250 1 19 . 1 1 37 37 MET HA H 566 4.228 4.228 4.157 0.071 17519
10251 1 19 . 1 1 37 37 MET C C 566 175.652 175.652 176.023 -0.371 17519
10252 1 19 . 1 1 37 37 MET CA C 566 56.485 56.485 56.989 -0.504 17519
10253 1 19 . 1 1 37 37 MET CB C 566 35.011 35.011 32.639 2.373 17519
10254 1 19 . 1 1 37 37 MET H H 566 8.202 8.202 8.502 -0.300 17519
10255 1 19 . 1 1 38 38 GLN N N 567 121.561 121.561 122.189 -0.628 17519
10256 1 19 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.485 -0.048 17519
10257 1 19 . 1 1 38 38 GLN C C 567 175.809 175.809 175.421 0.388 17519
10258 1 19 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.452 0.370 17519
10259 1 19 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.704 -0.522 17519
10260 1 19 . 1 1 38 38 GLN H H 567 8.489 8.489 8.126 0.363 17519
10261 1 19 . 1 1 39 39 ASP N N 568 121.881 121.881 125.190 -3.309 17519
10262 1 19 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.368 0.415 17519
10263 1 19 . 1 1 39 39 ASP C C 568 176.715 176.715 174.944 1.771 17519
10264 1 19 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.515 0.652 17519
10265 1 19 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.242 -1.003 17519
10266 1 19 . 1 1 39 39 ASP H H 568 8.780 8.780 8.698 0.082 17519
10267 1 19 . 1 1 40 40 ALA N N 569 122.696 122.696 126.188 -3.492 17519
10268 1 19 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.263 0.089 17519
10269 1 19 . 1 1 40 40 ALA C C 569 175.165 175.165 177.214 -2.049 17519
10270 1 19 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.667 -1.174 17519
10271 1 19 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.628 1.107 17519
10272 1 19 . 1 1 40 40 ALA H H 569 8.463 8.463 8.510 -0.047 17519
10273 1 19 . 1 1 41 41 GLU N N 570 120.083 120.083 117.930 2.153 17519
10274 1 19 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.478 -0.127 17519
10275 1 19 . 1 1 41 41 GLU C C 570 174.683 174.683 176.917 -2.234 17519
10276 1 19 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.611 0.914 17519
10277 1 19 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.473 -3.242 17519
10278 1 19 . 1 1 41 41 GLU H H 570 10.398 10.398 8.583 1.815 17519
10279 1 19 . 1 1 42 42 ILE N N 571 119.363 119.363 120.222 -0.859 17519
10280 1 19 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.038 0.341 17519
10281 1 19 . 1 1 42 42 ILE C C 571 174.913 174.913 176.361 -1.448 17519
10282 1 19 . 1 1 42 42 ILE CA C 571 58.820 58.820 63.032 -4.212 17519
10283 1 19 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.434 1.151 17519
10284 1 19 . 1 1 42 42 ILE H H 571 6.526 6.526 7.878 -1.352 17519
10285 1 19 . 1 1 43 43 SER N N 572 121.258 121.258 114.479 6.779 17519
10286 1 19 . 1 1 43 43 SER HA H 572 4.352 4.352 4.636 -0.284 17519
10287 1 19 . 1 1 43 43 SER C C 572 175.617 175.617 174.307 1.310 17519
10288 1 19 . 1 1 43 43 SER CA C 572 60.125 60.125 58.673 1.452 17519
10289 1 19 . 1 1 43 43 SER CB C 572 63.063 63.063 63.313 -0.250 17519
10290 1 19 . 1 1 43 43 SER H H 572 8.618 8.618 8.255 0.363 17519
10291 1 19 . 1 1 44 44 GLY N N 573 111.836 111.836 112.044 -0.208 17519
10292 1 19 . 1 1 44 44 GLY C C 573 173.828 173.828 173.166 0.662 17519
10293 1 19 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.292 -0.437 17519
10294 1 19 . 1 1 44 44 GLY H H 573 8.691 8.691 8.764 -0.073 17519
10295 1 19 . 1 1 45 45 TYR N N 574 116.297 116.297 120.256 -3.959 17519
10296 1 19 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.860 0.901 17519
10297 1 19 . 1 1 45 45 TYR C C 574 175.520 175.520 174.321 1.199 17519
10298 1 19 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.290 -0.771 17519
10299 1 19 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.959 0.958 17519
10300 1 19 . 1 1 45 45 TYR H H 574 7.854 7.854 7.587 0.267 17519
10301 1 19 . 1 1 46 46 ALA N N 575 126.117 126.117 123.498 2.619 17519
10302 1 19 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.775 0.632 17519
10303 1 19 . 1 1 46 46 ALA C C 575 176.096 176.096 175.158 0.938 17519
10304 1 19 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.691 -0.319 17519
10305 1 19 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.620 2.745 17519
10306 1 19 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.370 0.340 17519
10307 1 19 . 1 1 47 47 LYS C C 576 173.794 173.794 174.744 -0.950 17519
10308 1 19 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.033 0.357 17519
10309 1 19 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.084 0.857 17519
10310 1 19 . 1 1 48 48 ILE N N 577 120.000 120.000 117.563 2.437 17519
10311 1 19 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.578 -0.133 17519
10312 1 19 . 1 1 48 48 ILE C C 577 171.242 171.242 173.446 -2.204 17519
10313 1 19 . 1 1 48 48 ILE CA C 577 60.380 60.380 60.373 0.007 17519
10314 1 19 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.169 0.147 17519
10315 1 19 . 1 1 48 48 ILE H H 577 8.041 8.041 8.881 -0.840 17519
10316 1 19 . 1 1 49 49 THR N N 578 122.357 122.357 120.360 1.997 17519
10317 1 19 . 1 1 49 49 THR HA H 578 5.344 5.344 5.395 -0.051 17519
10318 1 19 . 1 1 49 49 THR C C 578 173.601 173.601 173.671 -0.070 17519
10319 1 19 . 1 1 49 49 THR CA C 578 61.849 61.849 61.238 0.611 17519
10320 1 19 . 1 1 49 49 THR CB C 578 70.593 70.593 70.643 -0.050 17519
10321 1 19 . 1 1 49 49 THR H H 578 8.043 8.043 8.194 -0.151 17519
10322 1 19 . 1 1 50 50 VAL N N 579 126.489 126.489 124.687 1.802 17519
10323 1 19 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.173 -0.033 17519
10324 1 19 . 1 1 50 50 VAL C C 579 174.015 174.015 174.295 -0.280 17519
10325 1 19 . 1 1 50 50 VAL CA C 579 60.252 60.252 59.992 0.260 17519
10326 1 19 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.056 0.097 17519
10327 1 19 . 1 1 50 50 VAL H H 579 9.349 9.349 8.581 0.768 17519
10328 1 19 . 1 1 51 51 ASP N N 580 126.891 126.891 126.468 0.423 17519
10329 1 19 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.025 -0.158 17519
10330 1 19 . 1 1 51 51 ASP C C 580 176.752 176.752 175.980 0.772 17519
10331 1 19 . 1 1 51 51 ASP CA C 580 53.526 53.526 54.077 -0.551 17519
10332 1 19 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.968 -0.152 17519
10333 1 19 . 1 1 51 51 ASP H H 580 8.616 8.616 8.528 0.088 17519
10334 1 19 . 1 1 52 52 ILE N N 581 118.893 118.893 121.359 -2.466 17519
10335 1 19 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.615 -0.027 17519
10336 1 19 . 1 1 52 52 ILE C C 581 176.717 176.717 175.063 1.654 17519
10337 1 19 . 1 1 52 52 ILE CA C 581 60.101 60.101 59.367 0.734 17519
10338 1 19 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.133 -0.077 17519
10339 1 19 . 1 1 52 52 ILE H H 581 8.627 8.627 8.117 0.510 17519
10340 1 19 . 1 1 53 53 GLY N N 582 114.728 114.728 111.397 3.331 17519
10341 1 19 . 1 1 53 53 GLY C C 582 174.442 174.442 174.983 -0.541 17519
10342 1 19 . 1 1 53 53 GLY CA C 582 47.605 47.605 47.245 0.360 17519
10343 1 19 . 1 1 53 53 GLY H H 582 9.075 9.075 8.516 0.559 17519
10344 1 19 . 1 1 54 54 SER N N 583 120.404 120.404 116.421 3.983 17519
10345 1 19 . 1 1 54 54 SER HA H 583 4.549 4.549 4.418 0.131 17519
10346 1 19 . 1 1 54 54 SER C C 583 175.149 175.149 174.264 0.885 17519
10347 1 19 . 1 1 54 54 SER CA C 583 58.133 58.133 58.779 -0.646 17519
10348 1 19 . 1 1 54 54 SER CB C 583 63.647 63.647 63.331 0.316 17519
10349 1 19 . 1 1 54 54 SER H H 583 8.812 8.812 8.246 0.566 17519
10350 1 19 . 1 1 55 55 ALA N N 584 125.527 125.527 122.886 2.641 17519
10351 1 19 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.182 0.235 17519
10352 1 19 . 1 1 55 55 ALA C C 584 175.867 175.867 176.962 -1.095 17519
10353 1 19 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.613 -0.246 17519
10354 1 19 . 1 1 55 55 ALA CB C 584 20.064 20.064 19.491 0.572 17519
10355 1 19 . 1 1 55 55 ALA H H 584 7.820 7.820 7.991 -0.171 17519
10356 1 19 . 1 1 56 56 SER N N 585 109.786 109.786 115.362 -5.576 17519
10357 1 19 . 1 1 56 56 SER HA H 585 4.564 4.564 4.489 0.075 17519
10358 1 19 . 1 1 56 56 SER C C 585 173.978 173.978 173.688 0.290 17519
10359 1 19 . 1 1 56 56 SER CA C 585 58.220 58.220 59.233 -1.013 17519
10360 1 19 . 1 1 56 56 SER CB C 585 64.962 64.962 64.675 0.287 17519
10361 1 19 . 1 1 56 56 SER H H 585 8.785 8.785 8.423 0.362 17519
10362 1 19 . 1 1 57 57 GLN N N 586 116.690 116.690 119.557 -2.867 17519
10363 1 19 . 1 1 57 57 GLN HA H 586 5.148 5.148 5.076 0.072 17519
10364 1 19 . 1 1 57 57 GLN C C 586 172.923 172.923 173.111 -0.188 17519
10365 1 19 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.479 -1.483 17519
10366 1 19 . 1 1 57 57 GLN CB C 586 34.540 34.540 33.126 1.414 17519
10367 1 19 . 1 1 57 57 GLN H H 586 7.144 7.144 7.609 -0.465 17519
10368 1 19 . 1 1 58 58 LEU N N 587 123.011 123.011 123.525 -0.514 17519
10369 1 19 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.012 -0.344 17519
10370 1 19 . 1 1 58 58 LEU C C 587 173.426 173.426 174.318 -0.892 17519
10371 1 19 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.606 -0.228 17519
10372 1 19 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.306 1.351 17519
10373 1 19 . 1 1 58 58 LEU H H 587 9.226 9.226 9.150 0.076 17519
10374 1 19 . 1 1 59 59 GLU N N 588 129.185 129.185 124.033 5.152 17519
10375 1 19 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.163 0.146 17519
10376 1 19 . 1 1 59 59 GLU C C 588 175.409 175.409 174.580 0.829 17519
10377 1 19 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.063 0.587 17519
10378 1 19 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.444 -0.396 17519
10379 1 19 . 1 1 59 59 GLU H H 588 8.830 8.830 8.810 0.020 17519
10380 1 19 . 1 1 60 60 ALA N N 589 126.011 126.011 124.284 1.727 17519
10381 1 19 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.093 0.810 17519
10382 1 19 . 1 1 60 60 ALA C C 589 174.861 174.861 175.280 -0.419 17519
10383 1 19 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.194 -0.047 17519
10384 1 19 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.750 2.107 17519
10385 1 19 . 1 1 60 60 ALA H H 589 9.748 9.748 8.374 1.374 17519
10386 1 19 . 1 1 61 61 ALA N N 590 120.783 120.783 123.663 -2.880 17519
10387 1 19 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.388 -0.571 17519
10388 1 19 . 1 1 61 61 ALA C C 590 174.731 174.731 175.346 -0.615 17519
10389 1 19 . 1 1 61 61 ALA CA C 590 51.128 51.128 49.791 1.337 17519
10390 1 19 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.499 0.601 17519
10391 1 19 . 1 1 61 61 ALA H H 590 9.392 9.392 8.665 0.727 17519
10392 1 19 . 1 1 62 62 PHE N N 591 116.572 116.572 117.235 -0.663 17519
10393 1 19 . 1 1 62 62 PHE HA H 591 6.007 6.007 5.019 0.988 17519
10394 1 19 . 1 1 62 62 PHE C C 591 175.059 175.059 174.198 0.861 17519
10395 1 19 . 1 1 62 62 PHE CA C 591 56.456 56.456 56.386 0.070 17519
10396 1 19 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.144 1.179 17519
10397 1 19 . 1 1 62 62 PHE H H 591 8.394 8.394 8.526 -0.132 17519
10398 1 19 . 1 1 63 63 ASN N N 592 116.166 116.166 119.701 -3.535 17519
10399 1 19 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.321 -0.157 17519
10400 1 19 . 1 1 63 63 ASN C C 592 172.073 172.073 175.175 -3.102 17519
10401 1 19 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.993 1.734 17519
10402 1 19 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.943 0.289 17519
10403 1 19 . 1 1 63 63 ASN H H 592 9.117 9.117 8.662 0.455 17519
10404 1 19 . 1 1 64 64 ASP N N 593 118.039 118.039 121.151 -3.112 17519
10405 1 19 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.179 0.040 17519
10406 1 19 . 1 1 64 64 ASP C C 593 177.248 177.248 177.602 -0.354 17519
10407 1 19 . 1 1 64 64 ASP CA C 593 52.251 52.251 56.187 -3.936 17519
10408 1 19 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.655 0.067 17519
10409 1 19 . 1 1 64 64 ASP H H 593 7.558 7.558 8.687 -1.129 17519
10410 1 19 . 1 1 65 65 GLY N N 594 110.622 110.622 106.032 4.590 17519
10411 1 19 . 1 1 65 65 GLY C C 594 173.126 173.126 174.028 -0.902 17519
10412 1 19 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.056 0.473 17519
10413 1 19 . 1 1 65 65 GLY H H 594 8.742 8.742 7.618 1.124 17519
10414 1 19 . 1 1 66 66 ASN N N 595 120.863 120.863 118.662 2.201 17519
10415 1 19 . 1 1 66 66 ASN HA H 595 4.757 4.757 5.044 -0.287 17519
10416 1 19 . 1 1 66 66 ASN C C 595 174.434 174.434 175.312 -0.878 17519
10417 1 19 . 1 1 66 66 ASN CA C 595 52.167 52.167 53.492 -1.325 17519
10418 1 19 . 1 1 66 66 ASN CB C 595 39.388 39.388 39.934 -0.546 17519
10419 1 19 . 1 1 66 66 ASN H H 595 8.424 8.424 9.150 -0.726 17519
10420 1 19 . 1 1 67 67 ASN N N 596 113.308 113.308 118.478 -5.170 17519
10421 1 19 . 1 1 67 67 ASN HA H 596 4.230 4.230 5.075 -0.845 17519
10422 1 19 . 1 1 67 67 ASN C C 596 173.796 173.796 174.650 -0.854 17519
10423 1 19 . 1 1 67 67 ASN CA C 596 54.425 54.425 52.753 1.672 17519
10424 1 19 . 1 1 67 67 ASN CB C 596 38.153 38.153 40.605 -2.453 17519
10425 1 19 . 1 1 67 67 ASN H H 596 8.744 8.744 8.372 0.372 17519
10426 1 19 . 1 1 68 68 ASN N N 597 118.418 118.418 120.299 -1.881 17519
10427 1 19 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.844 0.274 17519
10428 1 19 . 1 1 68 68 ASN C C 597 173.474 173.474 173.391 0.083 17519
10429 1 19 . 1 1 68 68 ASN CA C 597 53.138 53.138 53.203 -0.065 17519
10430 1 19 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.051 0.571 17519
10431 1 19 . 1 1 68 68 ASN H H 597 8.032 8.032 8.451 -0.419 17519
10432 1 19 . 1 1 69 69 TRP N N 598 120.990 120.990 124.561 -3.571 17519
10433 1 19 . 1 1 69 69 TRP HA H 598 4.856 4.856 4.919 -0.063 17519
10434 1 19 . 1 1 69 69 TRP C C 598 176.220 176.220 175.135 1.085 17519
10435 1 19 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.558 0.675 17519
10436 1 19 . 1 1 69 69 TRP CB C 598 32.219 32.219 32.271 -0.052 17519
10437 1 19 . 1 1 69 69 TRP H H 598 8.842 8.842 7.956 0.886 17519
10438 1 19 . 1 1 70 70 ASP N N 599 122.210 122.210 124.556 -2.346 17519
10439 1 19 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.251 -0.004 17519
10440 1 19 . 1 1 70 70 ASP CA C 599 53.246 53.246 54.192 -0.946 17519
10441 1 19 . 1 1 70 70 ASP CB C 599 41.898 41.898 43.131 -1.233 17519
10442 1 19 . 1 1 70 70 ASP H H 599 9.831 9.831 9.063 0.768 17519
10443 1 19 . 1 1 71 71 SER N N 600 117.252 117.252 118.153 -0.901 17519
10444 1 19 . 1 1 71 71 SER HA H 600 5.141 5.141 5.057 0.084 17519
10445 1 19 . 1 1 71 71 SER CA C 600 55.907 55.907 59.261 -3.354 17519
10446 1 19 . 1 1 71 71 SER H H 600 9.328 9.328 8.914 0.414 17519
10447 1 19 . 1 1 72 72 ASN N N 601 123.197 123.197 117.531 5.666 17519
10448 1 19 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.701 -0.272 17519
10449 1 19 . 1 1 72 72 ASN C C 601 176.895 176.895 173.576 3.319 17519
10450 1 19 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.289 -1.196 17519
10451 1 19 . 1 1 72 72 ASN CB C 601 39.150 39.150 39.483 -0.333 17519
10452 1 19 . 1 1 72 72 ASN H H 601 8.715 8.715 8.421 0.294 17519
10453 1 19 . 1 1 73 73 ASN N N 602 116.099 116.099 117.958 -1.859 17519
10454 1 19 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.444 0.000 17519
10455 1 19 . 1 1 73 73 ASN C C 602 176.304 176.304 174.598 1.706 17519
10456 1 19 . 1 1 73 73 ASN CA C 602 54.465 54.465 53.726 0.739 17519
10457 1 19 . 1 1 73 73 ASN CB C 602 37.277 37.277 37.348 -0.071 17519
10458 1 19 . 1 1 73 73 ASN H H 602 9.184 9.184 8.211 0.973 17519
10459 1 19 . 1 1 74 74 THR N N 603 110.445 110.445 112.664 -2.219 17519
10460 1 19 . 1 1 74 74 THR HA H 603 3.835 3.835 3.889 -0.054 17519
10461 1 19 . 1 1 74 74 THR C C 603 173.186 173.186 173.553 -0.367 17519
10462 1 19 . 1 1 74 74 THR CA C 603 65.006 65.006 63.609 1.397 17519
10463 1 19 . 1 1 74 74 THR CB C 603 69.653 69.653 68.689 0.964 17519
10464 1 19 . 1 1 74 74 THR H H 603 7.829 7.829 8.450 -0.621 17519
10465 1 19 . 1 1 75 75 LYS N N 604 121.909 121.909 118.064 3.845 17519
10466 1 19 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.434 -0.297 17519
10467 1 19 . 1 1 75 75 LYS C C 604 177.262 177.262 175.433 1.829 17519
10468 1 19 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.368 1.399 17519
10469 1 19 . 1 1 75 75 LYS CB C 604 32.376 32.376 34.325 -1.949 17519
10470 1 19 . 1 1 75 75 LYS H H 604 7.714 7.714 8.032 -0.318 17519
10471 1 19 . 1 1 76 76 ASN N N 605 108.823 108.823 115.362 -6.539 17519
10472 1 19 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.338 -0.398 17519
10473 1 19 . 1 1 76 76 ASN C C 605 171.742 171.742 174.112 -2.370 17519
10474 1 19 . 1 1 76 76 ASN CA C 605 54.159 54.159 55.099 -0.940 17519
10475 1 19 . 1 1 76 76 ASN CB C 605 39.027 39.027 37.815 1.212 17519
10476 1 19 . 1 1 76 76 ASN H H 605 8.274 8.274 8.199 0.075 17519
10477 1 19 . 1 1 77 77 TYR N N 606 117.628 117.628 117.819 -0.191 17519
10478 1 19 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.697 0.130 17519
10479 1 19 . 1 1 77 77 TYR C C 606 174.468 174.468 174.884 -0.416 17519
10480 1 19 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.183 0.386 17519
10481 1 19 . 1 1 77 77 TYR CB C 606 41.555 41.555 40.783 0.772 17519
10482 1 19 . 1 1 77 77 TYR H H 606 9.055 9.055 8.585 0.470 17519
10483 1 19 . 1 1 78 78 LEU N N 607 121.811 121.811 119.871 1.940 17519
10484 1 19 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.245 1.058 17519
10485 1 19 . 1 1 78 78 LEU C C 607 175.673 175.673 175.477 0.196 17519
10486 1 19 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.530 -1.286 17519
10487 1 19 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.821 1.150 17519
10488 1 19 . 1 1 78 78 LEU H H 607 7.983 7.983 8.372 -0.389 17519
10489 1 19 . 1 1 79 79 PHE N N 608 121.390 121.390 122.669 -1.279 17519
10490 1 19 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.920 -0.093 17519
10491 1 19 . 1 1 79 79 PHE C C 608 175.786 175.786 175.137 0.649 17519
10492 1 19 . 1 1 79 79 PHE CA C 608 56.851 56.851 55.983 0.868 17519
10493 1 19 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.429 0.134 17519
10494 1 19 . 1 1 79 79 PHE H H 608 9.240 9.240 8.792 0.448 17519
10495 1 19 . 1 1 80 80 SER N N 609 117.589 117.589 115.331 2.258 17519
10496 1 19 . 1 1 80 80 SER HA H 609 4.979 4.979 4.804 0.175 17519
10497 1 19 . 1 1 80 80 SER C C 609 173.269 173.269 174.081 -0.812 17519
10498 1 19 . 1 1 80 80 SER CA C 609 57.811 57.811 55.735 2.076 17519
10499 1 19 . 1 1 80 80 SER CB C 609 64.856 64.856 65.114 -0.258 17519
10500 1 19 . 1 1 80 80 SER H H 609 8.948 8.948 8.673 0.275 17519
10501 1 19 . 1 1 81 81 THR N N 610 112.845 112.845 113.629 -0.784 17519
10502 1 19 . 1 1 81 81 THR HA H 610 3.871 3.871 4.214 -0.343 17519
10503 1 19 . 1 1 81 81 THR C C 610 174.439 174.439 175.791 -1.352 17519
10504 1 19 . 1 1 81 81 THR CA C 610 64.353 64.353 63.980 0.373 17519
10505 1 19 . 1 1 81 81 THR CB C 610 69.421 69.421 69.276 0.145 17519
10506 1 19 . 1 1 82 82 GLY N N 611 112.157 112.157 109.310 2.847 17519
10507 1 19 . 1 1 82 82 GLY C C 611 174.430 174.430 172.947 1.483 17519
10508 1 19 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.467 -0.601 17519
10509 1 19 . 1 1 82 82 GLY H H 611 8.468 8.468 7.957 0.511 17519
10510 1 19 . 1 1 83 83 THR N N 612 120.992 120.992 117.137 3.855 17519
10511 1 19 . 1 1 83 83 THR HA H 612 5.483 5.483 5.081 0.402 17519
10512 1 19 . 1 1 83 83 THR C C 612 174.819 174.819 174.040 0.779 17519
10513 1 19 . 1 1 83 83 THR CA C 612 62.563 62.563 62.345 0.218 17519
10514 1 19 . 1 1 83 83 THR CB C 612 70.093 70.093 70.199 -0.106 17519
10515 1 19 . 1 1 83 83 THR H H 612 8.736 8.736 8.206 0.530 17519
10516 1 19 . 1 1 84 84 SER N N 613 122.602 122.602 122.057 0.545 17519
10517 1 19 . 1 1 84 84 SER HA H 613 5.489 5.489 4.922 0.567 17519
10518 1 19 . 1 1 84 84 SER C C 613 172.064 172.064 173.067 -1.003 17519
10519 1 19 . 1 1 84 84 SER CA C 613 58.813 58.813 57.874 0.939 17519
10520 1 19 . 1 1 84 84 SER CB C 613 67.694 67.694 66.976 0.718 17519
10521 1 19 . 1 1 84 84 SER H H 613 9.051 9.051 9.180 -0.129 17519
10522 1 19 . 1 1 85 85 THR N N 614 117.759 117.759 119.132 -1.373 17519
10523 1 19 . 1 1 85 85 THR HA H 614 5.256 5.256 5.156 0.100 17519
10524 1 19 . 1 1 85 85 THR C C 614 173.632 173.632 172.735 0.897 17519
10525 1 19 . 1 1 85 85 THR CA C 614 62.724 62.724 62.054 0.670 17519
10526 1 19 . 1 1 85 85 THR CB C 614 70.908 70.908 70.532 0.376 17519
10527 1 19 . 1 1 85 85 THR H H 614 9.523 9.523 8.727 0.796 17519
10528 1 19 . 1 1 86 86 TYR N N 615 131.519 131.519 129.864 1.655 17519
10529 1 19 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.509 0.704 17519
10530 1 19 . 1 1 86 86 TYR C C 615 172.999 172.999 173.986 -0.987 17519
10531 1 19 . 1 1 86 86 TYR CA C 615 57.163 57.163 57.146 0.017 17519
10532 1 19 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.549 1.020 17519
10533 1 19 . 1 1 86 86 TYR H H 615 10.029 10.029 9.601 0.428 17519
10534 1 19 . 1 1 87 87 THR N N 616 124.674 124.674 124.234 0.440 17519
10535 1 19 . 1 1 87 87 THR HA H 616 4.370 4.370 4.619 -0.249 17519
10536 1 19 . 1 1 87 87 THR CA C 616 58.725 58.725 59.112 -0.387 17519
10537 1 19 . 1 1 87 87 THR CB C 616 70.070 70.070 69.634 0.436 17519
10538 1 19 . 1 1 87 87 THR H H 616 8.027 8.027 8.622 -0.595 17519
10539 1 19 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.415 -0.323 17519
10540 1 19 . 1 1 88 88 PRO C C 617 177.011 177.011 176.681 0.330 17519
10541 1 19 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.062 0.825 17519
10542 1 19 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.767 -0.443 17519
10543 1 19 . 1 1 89 89 GLY N N 618 108.881 108.881 109.362 -0.481 17519
10544 1 19 . 1 1 89 89 GLY C C 618 173.673 173.673 174.741 -1.068 17519
10545 1 19 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.058 -0.062 17519
10546 1 19 . 1 1 89 89 GLY H H 618 8.261 8.261 8.025 0.236 17519
10547 1 19 . 1 1 90 90 SER N N 619 114.743 114.743 115.030 -0.287 17519
10548 1 19 . 1 1 90 90 SER HA H 619 4.537 4.537 4.304 0.233 17519
10549 1 19 . 1 1 90 90 SER C C 619 175.706 175.706 174.296 1.410 17519
10550 1 19 . 1 1 90 90 SER CA C 619 57.617 57.617 60.278 -2.661 17519
10551 1 19 . 1 1 90 90 SER CB C 619 64.294 64.294 63.475 0.819 17519
10552 1 19 . 1 1 90 90 SER H H 619 8.380 8.380 8.388 -0.008 17519
10553 1 19 . 1 1 91 91 ASN N N 620 121.360 121.360 117.184 4.176 17519
10554 1 19 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.841 -0.429 17519
10555 1 19 . 1 1 91 91 ASN C C 620 175.289 175.289 175.057 0.232 17519
10556 1 19 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.635 0.718 17519
10557 1 19 . 1 1 91 91 ASN CB C 620 37.733 37.733 40.001 -2.268 17519
10558 1 19 . 1 1 91 91 ASN H H 620 9.296 9.296 7.858 1.438 17519
10559 1 19 . 1 1 92 92 GLY N N 621 105.883 105.883 109.150 -3.267 17519
10560 1 19 . 1 1 92 92 GLY C C 621 174.510 174.510 173.631 0.879 17519
10561 1 19 . 1 1 92 92 GLY CA C 621 45.229 45.229 46.205 -0.976 17519
10562 1 19 . 1 1 92 92 GLY H H 621 8.528 8.528 8.740 -0.212 17519
10563 1 19 . 1 1 93 93 ALA N N 622 123.803 123.803 121.494 2.309 17519
10564 1 19 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.677 -0.261 17519
10565 1 19 . 1 1 93 93 ALA C C 622 176.820 176.820 176.336 0.484 17519
10566 1 19 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.958 0.893 17519
10567 1 19 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.216 -0.412 17519
10568 1 19 . 1 1 93 93 ALA H H 622 7.486 7.486 7.846 -0.360 17519
10569 1 19 . 1 1 94 94 ALA N N 623 123.284 123.284 127.479 -4.195 17519
10570 1 19 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.277 0.313 17519
10571 1 19 . 1 1 94 94 ALA C C 623 178.770 178.770 177.874 0.896 17519
10572 1 19 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.970 -0.343 17519
10573 1 19 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.577 0.510 17519
10574 1 19 . 1 1 94 94 ALA H H 623 8.397 8.397 8.647 -0.250 17519
10575 1 19 . 1 1 95 95 GLY N N 624 108.970 108.970 109.484 -0.514 17519
10576 1 19 . 1 1 95 95 GLY C C 624 173.156 173.156 173.294 -0.138 17519
10577 1 19 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.362 0.495 17519
10578 1 19 . 1 1 95 95 GLY H H 624 8.438 8.438 8.435 0.003 17519
10579 1 19 . 1 1 96 96 THR N N 625 108.929 108.929 110.347 -1.418 17519
10580 1 19 . 1 1 96 96 THR HA H 625 4.603 4.603 4.458 0.145 17519
10581 1 19 . 1 1 96 96 THR C C 625 172.765 172.765 172.546 0.219 17519
10582 1 19 . 1 1 96 96 THR CA C 625 60.350 60.350 60.636 -0.287 17519
10583 1 19 . 1 1 96 96 THR CB C 625 72.295 72.295 71.980 0.315 17519
10584 1 19 . 1 1 96 96 THR H H 625 7.833 7.833 7.800 0.033 17519
10585 1 19 . 1 1 97 97 ILE N N 626 123.623 123.623 120.077 3.546 17519
10586 1 19 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.031 -0.214 17519
10587 1 19 . 1 1 97 97 ILE C C 626 175.596 175.596 175.356 0.240 17519
10588 1 19 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.576 1.473 17519
10589 1 19 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.827 1.351 17519
10590 1 19 . 1 1 97 97 ILE H H 626 8.594 8.594 8.271 0.323 17519
10591 1 19 . 1 1 98 98 ARG N N 627 127.431 127.431 127.332 0.099 17519
10592 1 19 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.638 0.297 17519
10593 1 19 . 1 1 98 98 ARG C C 627 175.183 175.183 175.486 -0.303 17519
10594 1 19 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.057 -0.289 17519
10595 1 19 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.536 1.240 17519
10596 1 19 . 1 1 98 98 ARG H H 627 8.979 8.979 8.950 0.029 17519
10597 1 19 . 1 1 99 99 THR N N 628 118.452 118.452 118.829 -0.377 17519
10598 1 19 . 1 1 99 99 THR HA H 628 4.410 4.410 4.387 0.023 17519
10599 1 19 . 1 1 99 99 THR C C 628 174.845 174.845 175.020 -0.175 17519
10600 1 19 . 1 1 99 99 THR CA C 628 63.962 63.962 62.234 1.728 17519
10601 1 19 . 1 1 99 99 THR CB C 628 69.488 69.488 69.218 0.270 17519
10602 1 19 . 1 1 99 99 THR H H 628 8.697 8.697 8.454 0.243 17519
10603 1 19 . 1 1 100 100 GLY N N 629 114.137 114.137 110.465 3.672 17519
10604 1 19 . 1 1 100 100 GLY C C 629 171.903 171.903 172.885 -0.982 17519
10605 1 19 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.209 -0.462 17519
10606 1 19 . 1 1 100 100 GLY H H 629 8.626 8.626 8.504 0.122 17519
10607 1 19 . 1 1 101 101 ALA N N 630 120.627 120.627 125.491 -4.864 17519
10608 1 19 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.057 -0.365 17519
10609 1 19 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.976 -1.548 17519
10610 1 19 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.799 -0.728 17519
10611 1 19 . 1 1 101 101 ALA H H 630 7.980 7.980 8.219 -0.239 17519
10612 1 19 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.250 -0.125 17519
10613 1 19 . 1 1 102 102 PRO C C 631 175.721 175.721 177.151 -1.430 17519
10614 1 19 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.200 0.740 17519
10615 1 19 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.363 -0.618 17519
10616 1 19 . 1 1 103 103 SER N N 632 113.689 113.689 115.896 -2.207 17519
10617 1 19 . 1 1 103 103 SER HA H 632 4.295 4.295 4.001 0.294 17519
10618 1 19 . 1 1 103 103 SER C C 632 173.816 173.816 174.969 -1.153 17519
10619 1 19 . 1 1 103 103 SER CA C 632 57.689 57.689 58.484 -0.795 17519
10620 1 19 . 1 1 103 103 SER CB C 632 64.133 64.133 62.909 1.224 17519
10621 1 19 . 1 1 103 103 SER H H 632 7.969 7.969 8.567 -0.598 17519
10622 1 20 . 1 1 2 2 GLY C C 531 174.309 174.309 174.679 -0.370 17519
10623 1 20 . 1 1 2 2 GLY CA C 531 45.176 45.176 44.882 0.294 17519
10624 1 20 . 1 1 3 3 THR N N 532 113.802 113.802 112.475 1.327 17519
10625 1 20 . 1 1 3 3 THR HA H 532 4.429 4.429 4.150 0.279 17519
10626 1 20 . 1 1 3 3 THR C C 532 174.430 174.430 174.067 0.363 17519
10627 1 20 . 1 1 3 3 THR CA C 532 61.577 61.577 63.350 -1.774 17519
10628 1 20 . 1 1 3 3 THR CB C 532 69.849 69.849 68.622 1.227 17519
10629 1 20 . 1 1 3 3 THR H H 532 8.140 8.140 8.254 -0.114 17519
10630 1 20 . 1 1 4 4 THR N N 533 115.407 115.407 113.456 1.951 17519
10631 1 20 . 1 1 4 4 THR HA H 533 4.350 4.350 4.504 -0.154 17519
10632 1 20 . 1 1 4 4 THR C C 533 173.831 173.831 173.545 0.286 17519
10633 1 20 . 1 1 4 4 THR CA C 533 60.266 60.266 60.397 -0.131 17519
10634 1 20 . 1 1 4 4 THR CB C 533 69.788 69.788 70.682 -0.894 17519
10635 1 20 . 1 1 4 4 THR H H 533 8.019 8.019 7.749 0.270 17519
10636 1 20 . 1 1 5 5 ASN N N 534 121.822 121.822 118.612 3.210 17519
10637 1 20 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.870 -0.034 17519
10638 1 20 . 1 1 5 5 ASN C C 534 174.057 174.057 174.808 -0.751 17519
10639 1 20 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.709 -0.023 17519
10640 1 20 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.314 -1.158 17519
10641 1 20 . 1 1 5 5 ASN H H 534 8.863 8.863 8.509 0.354 17519
10642 1 20 . 1 1 6 6 LYS N N 535 119.369 119.369 117.483 1.886 17519
10643 1 20 . 1 1 6 6 LYS HA H 535 5.185 5.185 4.977 0.208 17519
10644 1 20 . 1 1 6 6 LYS C C 535 175.924 175.924 175.305 0.619 17519
10645 1 20 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.433 -0.902 17519
10646 1 20 . 1 1 6 6 LYS CB C 535 36.016 36.016 35.975 0.041 17519
10647 1 20 . 1 1 6 6 LYS H H 535 8.347 8.347 8.253 0.094 17519
10648 1 20 . 1 1 7 7 VAL N N 536 123.112 123.112 122.092 1.020 17519
10649 1 20 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.348 0.225 17519
10650 1 20 . 1 1 7 7 VAL C C 536 174.602 174.602 174.943 -0.341 17519
10651 1 20 . 1 1 7 7 VAL CA C 536 61.145 61.145 61.252 -0.107 17519
10652 1 20 . 1 1 7 7 VAL CB C 536 34.773 34.773 33.073 1.700 17519
10653 1 20 . 1 1 7 7 VAL H H 536 8.828 8.828 8.965 -0.137 17519
10654 1 20 . 1 1 8 8 THR N N 537 125.255 125.255 124.425 0.830 17519
10655 1 20 . 1 1 8 8 THR HA H 537 5.396 5.396 5.110 0.286 17519
10656 1 20 . 1 1 8 8 THR C C 537 173.129 173.129 173.758 -0.629 17519
10657 1 20 . 1 1 8 8 THR CA C 537 61.611 61.611 61.621 -0.010 17519
10658 1 20 . 1 1 8 8 THR CB C 537 70.113 70.113 69.580 0.533 17519
10659 1 20 . 1 1 8 8 THR H H 537 8.914 8.914 8.135 0.779 17519
10660 1 20 . 1 1 9 9 VAL N N 538 126.696 126.696 126.068 0.628 17519
10661 1 20 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.556 -0.022 17519
10662 1 20 . 1 1 9 9 VAL C C 538 175.565 175.565 174.239 1.326 17519
10663 1 20 . 1 1 9 9 VAL CA C 538 60.879 60.879 61.089 -0.210 17519
10664 1 20 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.305 0.874 17519
10665 1 20 . 1 1 9 9 VAL H H 538 8.585 8.585 8.918 -0.333 17519
10666 1 20 . 1 1 10 10 TYR N N 539 124.488 124.488 127.412 -2.924 17519
10667 1 20 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.348 -0.090 17519
10668 1 20 . 1 1 10 10 TYR C C 539 174.309 174.309 175.004 -0.695 17519
10669 1 20 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.638 0.628 17519
10670 1 20 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.129 0.281 17519
10671 1 20 . 1 1 10 10 TYR H H 539 9.111 9.111 9.070 0.041 17519
10672 1 20 . 1 1 11 11 TYR N N 540 125.848 125.848 126.922 -1.074 17519
10673 1 20 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.788 -0.762 17519
10674 1 20 . 1 1 11 11 TYR C C 540 173.346 173.346 174.198 -0.852 17519
10675 1 20 . 1 1 11 11 TYR CA C 540 56.602 56.602 55.612 0.990 17519
10676 1 20 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.745 0.213 17519
10677 1 20 . 1 1 11 11 TYR H H 540 9.580 9.580 8.933 0.647 17519
10678 1 20 . 1 1 12 12 LYS N N 541 131.489 131.489 128.197 3.292 17519
10679 1 20 . 1 1 12 12 LYS HA H 541 3.452 3.452 4.122 -0.670 17519
10680 1 20 . 1 1 12 12 LYS C C 541 172.904 172.904 175.077 -2.173 17519
10681 1 20 . 1 1 12 12 LYS CA C 541 55.715 55.715 55.216 0.499 17519
10682 1 20 . 1 1 12 12 LYS CB C 541 33.097 33.097 32.923 0.174 17519
10683 1 20 . 1 1 12 12 LYS H H 541 8.406 8.406 7.862 0.544 17519
10684 1 20 . 1 1 13 13 LYS N N 542 125.132 125.132 127.560 -2.428 17519
10685 1 20 . 1 1 13 13 LYS HA H 542 3.938 3.938 4.328 -0.390 17519
10686 1 20 . 1 1 13 13 LYS C C 542 180.078 180.078 175.749 4.329 17519
10687 1 20 . 1 1 13 13 LYS CA C 542 52.436 52.436 57.113 -4.677 17519
10688 1 20 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.838 -1.233 17519
10689 1 20 . 1 1 13 13 LYS H H 542 7.515 7.515 7.802 -0.287 17519
10690 1 20 . 1 1 14 14 GLY N N 543 112.724 112.724 112.632 0.092 17519
10691 1 20 . 1 1 14 14 GLY C C 543 174.151 174.151 173.186 0.965 17519
10692 1 20 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.652 1.638 17519
10693 1 20 . 1 1 14 14 GLY H H 543 7.629 7.629 8.057 -0.428 17519
10694 1 20 . 1 1 15 15 PHE N N 544 121.583 121.583 120.537 1.046 17519
10695 1 20 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.768 -0.046 17519
10696 1 20 . 1 1 15 15 PHE C C 544 175.876 175.876 176.637 -0.761 17519
10697 1 20 . 1 1 15 15 PHE CA C 544 57.110 57.110 60.706 -3.596 17519
10698 1 20 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.509 -2.118 17519
10699 1 20 . 1 1 15 15 PHE H H 544 8.557 8.557 8.895 -0.338 17519
10700 1 20 . 1 1 16 16 ASN N N 545 117.559 117.559 114.843 2.716 17519
10701 1 20 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.751 -0.287 17519
10702 1 20 . 1 1 16 16 ASN C C 545 176.289 176.289 174.678 1.611 17519
10703 1 20 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.560 2.860 17519
10704 1 20 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.220 0.043 17519
10705 1 20 . 1 1 16 16 ASN H H 545 8.561 8.561 8.177 0.384 17519
10706 1 20 . 1 1 17 17 SER N N 546 112.901 112.901 114.745 -1.844 17519
10707 1 20 . 1 1 17 17 SER HA H 546 4.862 4.862 4.835 0.027 17519
10708 1 20 . 1 1 17 17 SER CA C 546 53.586 53.586 57.309 -3.723 17519
10709 1 20 . 1 1 17 17 SER CB C 546 63.708 63.708 64.264 -0.556 17519
10710 1 20 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.666 -0.073 17519
10711 1 20 . 1 1 18 18 PRO C C 547 175.806 175.806 175.380 0.426 17519
10712 1 20 . 1 1 18 18 PRO CA C 547 62.521 62.521 61.974 0.547 17519
10713 1 20 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.394 0.269 17519
10714 1 20 . 1 1 19 19 TYR N N 548 122.230 122.230 118.011 4.219 17519
10715 1 20 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.616 0.261 17519
10716 1 20 . 1 1 19 19 TYR C C 548 174.660 174.660 174.497 0.163 17519
10717 1 20 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.527 -0.867 17519
10718 1 20 . 1 1 19 19 TYR CB C 548 40.462 40.462 43.051 -2.589 17519
10719 1 20 . 1 1 19 19 TYR H H 548 9.141 9.141 8.958 0.183 17519
10720 1 20 . 1 1 20 20 ILE N N 549 118.425 118.425 120.611 -2.186 17519
10721 1 20 . 1 1 20 20 ILE HA H 549 5.072 5.072 5.018 0.054 17519
10722 1 20 . 1 1 20 20 ILE C C 549 171.422 171.422 173.407 -1.985 17519
10723 1 20 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.961 -0.532 17519
10724 1 20 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.749 0.007 17519
10725 1 20 . 1 1 21 21 HIS N N 550 133.248 133.248 127.057 6.191 17519
10726 1 20 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.783 0.580 17519
10727 1 20 . 1 1 21 21 HIS C C 550 174.988 174.988 173.241 1.747 17519
10728 1 20 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.275 -0.360 17519
10729 1 20 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.932 1.842 17519
10730 1 20 . 1 1 21 21 HIS H H 550 8.956 8.956 8.467 0.489 17519
10731 1 20 . 1 1 22 22 TYR N N 551 121.831 121.831 122.297 -0.466 17519
10732 1 20 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.197 0.986 17519
10733 1 20 . 1 1 22 22 TYR C C 551 173.934 173.934 173.419 0.515 17519
10734 1 20 . 1 1 22 22 TYR CA C 551 56.668 56.668 55.479 1.189 17519
10735 1 20 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.467 1.251 17519
10736 1 20 . 1 1 22 22 TYR H H 551 8.204 8.204 8.068 0.136 17519
10737 1 20 . 1 1 23 23 ARG N N 552 115.619 115.619 117.612 -1.993 17519
10738 1 20 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.941 -0.179 17519
10739 1 20 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.490 -0.010 17519
10740 1 20 . 1 1 23 23 ARG CB C 552 32.038 32.038 32.267 -0.229 17519
10741 1 20 . 1 1 23 23 ARG H H 552 8.674 8.674 8.853 -0.179 17519
10742 1 20 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.494 0.062 17519
10743 1 20 . 1 1 24 24 PRO C C 553 176.736 176.736 176.695 0.041 17519
10744 1 20 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.336 0.016 17519
10745 1 20 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.778 -0.898 17519
10746 1 20 . 1 1 25 25 ALA N N 554 125.908 125.908 122.639 3.269 17519
10747 1 20 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.786 0.236 17519
10748 1 20 . 1 1 25 25 ALA C C 554 179.217 179.217 176.493 2.724 17519
10749 1 20 . 1 1 25 25 ALA CA C 554 54.085 54.085 54.657 -0.572 17519
10750 1 20 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.780 -0.548 17519
10751 1 20 . 1 1 25 25 ALA H H 554 8.293 8.293 8.288 0.005 17519
10752 1 20 . 1 1 26 26 GLY N N 555 111.766 111.766 102.384 9.382 17519
10753 1 20 . 1 1 26 26 GLY C C 555 174.796 174.796 173.516 1.280 17519
10754 1 20 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.720 0.921 17519
10755 1 20 . 1 1 26 26 GLY H H 555 8.602 8.602 7.621 0.981 17519
10756 1 20 . 1 1 27 27 GLY N N 556 109.512 109.512 110.490 -0.978 17519
10757 1 20 . 1 1 27 27 GLY C C 556 173.368 173.368 173.325 0.043 17519
10758 1 20 . 1 1 27 27 GLY CA C 556 44.206 44.206 44.844 -0.638 17519
10759 1 20 . 1 1 27 27 GLY H H 556 8.494 8.494 7.900 0.594 17519
10760 1 20 . 1 1 28 28 SER N N 557 117.962 117.962 116.550 1.412 17519
10761 1 20 . 1 1 28 28 SER HA H 557 4.690 4.690 4.616 0.074 17519
10762 1 20 . 1 1 28 28 SER C C 557 173.656 173.656 173.414 0.242 17519
10763 1 20 . 1 1 28 28 SER CA C 557 57.492 57.492 57.365 0.127 17519
10764 1 20 . 1 1 28 28 SER CB C 557 64.803 64.803 65.145 -0.342 17519
10765 1 20 . 1 1 28 28 SER H H 557 8.681 8.681 7.934 0.747 17519
10766 1 20 . 1 1 29 29 TRP N N 558 123.928 123.928 124.147 -0.219 17519
10767 1 20 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.637 -0.185 17519
10768 1 20 . 1 1 29 29 TRP C C 558 178.891 178.891 176.829 2.062 17519
10769 1 20 . 1 1 29 29 TRP CA C 558 58.074 58.074 57.463 0.611 17519
10770 1 20 . 1 1 29 29 TRP CB C 558 30.706 30.706 29.945 0.761 17519
10771 1 20 . 1 1 29 29 TRP H H 558 8.392 8.392 8.613 -0.221 17519
10772 1 20 . 1 1 30 30 THR N N 559 111.067 111.067 121.664 -10.597 17519
10773 1 20 . 1 1 30 30 THR HA H 559 4.037 4.037 4.170 -0.133 17519
10774 1 20 . 1 1 30 30 THR C C 559 174.782 174.782 174.877 -0.095 17519
10775 1 20 . 1 1 30 30 THR CA C 559 61.321 61.321 63.638 -2.317 17519
10776 1 20 . 1 1 30 30 THR CB C 559 70.561 70.561 69.583 0.978 17519
10777 1 20 . 1 1 30 30 THR H H 559 7.953 7.953 8.306 -0.353 17519
10778 1 20 . 1 1 31 31 ALA N N 560 123.046 123.046 123.486 -0.440 17519
10779 1 20 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.200 0.251 17519
10780 1 20 . 1 1 31 31 ALA C C 560 178.493 178.493 176.732 1.761 17519
10781 1 20 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.413 -0.499 17519
10782 1 20 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.794 -0.795 17519
10783 1 20 . 1 1 31 31 ALA H H 560 8.437 8.437 8.365 0.072 17519
10784 1 20 . 1 1 32 32 ALA N N 561 129.644 129.644 127.592 2.052 17519
10785 1 20 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.065 -0.124 17519
10786 1 20 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.854 1.902 17519
10787 1 20 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.486 -2.336 17519
10788 1 20 . 1 1 32 32 ALA H H 561 8.828 8.828 8.331 0.497 17519
10789 1 20 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.368 -0.470 17519
10790 1 20 . 1 1 33 33 PRO C C 562 173.280 173.280 176.692 -3.412 17519
10791 1 20 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.064 1.375 17519
10792 1 20 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.502 0.009 17519
10793 1 20 . 1 1 34 34 GLY N N 563 112.224 112.224 109.240 2.984 17519
10794 1 20 . 1 1 34 34 GLY C C 563 173.977 173.977 174.002 -0.025 17519
10795 1 20 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.014 -2.065 17519
10796 1 20 . 1 1 34 34 GLY H H 563 8.763 8.763 8.029 0.734 17519
10797 1 20 . 1 1 35 35 VAL N N 564 123.427 123.427 117.389 6.038 17519
10798 1 20 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.464 -0.063 17519
10799 1 20 . 1 1 35 35 VAL C C 564 174.734 174.734 174.994 -0.260 17519
10800 1 20 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.891 0.997 17519
10801 1 20 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.904 -1.003 17519
10802 1 20 . 1 1 36 36 LYS N N 565 128.212 128.212 123.729 4.483 17519
10803 1 20 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.829 -0.720 17519
10804 1 20 . 1 1 36 36 LYS C C 565 176.437 176.437 176.047 0.390 17519
10805 1 20 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.272 1.915 17519
10806 1 20 . 1 1 36 36 LYS CB C 565 32.414 32.414 32.170 0.244 17519
10807 1 20 . 1 1 36 36 LYS H H 565 8.486 8.486 8.400 0.086 17519
10808 1 20 . 1 1 37 37 MET N N 566 124.964 124.964 124.037 0.927 17519
10809 1 20 . 1 1 37 37 MET HA H 566 4.228 4.228 4.156 0.072 17519
10810 1 20 . 1 1 37 37 MET C C 566 175.652 175.652 175.904 -0.252 17519
10811 1 20 . 1 1 37 37 MET CA C 566 56.485 56.485 56.735 -0.250 17519
10812 1 20 . 1 1 37 37 MET CB C 566 35.011 35.011 32.378 2.633 17519
10813 1 20 . 1 1 37 37 MET H H 566 8.202 8.202 8.452 -0.250 17519
10814 1 20 . 1 1 38 38 GLN N N 567 121.561 121.561 123.958 -2.397 17519
10815 1 20 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.446 -0.009 17519
10816 1 20 . 1 1 38 38 GLN C C 567 175.809 175.809 175.395 0.414 17519
10817 1 20 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.724 0.098 17519
10818 1 20 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.912 -0.730 17519
10819 1 20 . 1 1 38 38 GLN H H 567 8.489 8.489 8.167 0.322 17519
10820 1 20 . 1 1 39 39 ASP N N 568 121.881 121.881 125.087 -3.206 17519
10821 1 20 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.398 0.385 17519
10822 1 20 . 1 1 39 39 ASP C C 568 176.715 176.715 175.752 0.963 17519
10823 1 20 . 1 1 39 39 ASP CA C 568 56.167 56.167 56.544 -0.376 17519
10824 1 20 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.618 -1.379 17519
10825 1 20 . 1 1 39 39 ASP H H 568 8.780 8.780 8.762 0.018 17519
10826 1 20 . 1 1 40 40 ALA N N 569 122.696 122.696 125.888 -3.192 17519
10827 1 20 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.236 0.116 17519
10828 1 20 . 1 1 40 40 ALA C C 569 175.165 175.165 177.415 -2.250 17519
10829 1 20 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.595 -1.102 17519
10830 1 20 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.518 1.217 17519
10831 1 20 . 1 1 40 40 ALA H H 569 8.463 8.463 8.249 0.214 17519
10832 1 20 . 1 1 41 41 GLU N N 570 120.083 120.083 117.845 2.238 17519
10833 1 20 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.515 -0.164 17519
10834 1 20 . 1 1 41 41 GLU C C 570 174.683 174.683 176.717 -2.034 17519
10835 1 20 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.153 1.372 17519
10836 1 20 . 1 1 41 41 GLU CB C 570 27.231 27.231 31.004 -3.773 17519
10837 1 20 . 1 1 41 41 GLU H H 570 10.398 10.398 8.666 1.732 17519
10838 1 20 . 1 1 42 42 ILE N N 571 119.363 119.363 120.835 -1.472 17519
10839 1 20 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.223 0.156 17519
10840 1 20 . 1 1 42 42 ILE C C 571 174.913 174.913 176.686 -1.773 17519
10841 1 20 . 1 1 42 42 ILE CA C 571 58.820 58.820 61.997 -3.177 17519
10842 1 20 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.437 1.149 17519
10843 1 20 . 1 1 42 42 ILE H H 571 6.526 6.526 7.839 -1.313 17519
10844 1 20 . 1 1 43 43 SER N N 572 121.258 121.258 115.081 6.177 17519
10845 1 20 . 1 1 43 43 SER HA H 572 4.352 4.352 4.552 -0.200 17519
10846 1 20 . 1 1 43 43 SER C C 572 175.617 175.617 173.932 1.685 17519
10847 1 20 . 1 1 43 43 SER CA C 572 60.125 60.125 58.646 1.479 17519
10848 1 20 . 1 1 43 43 SER CB C 572 63.063 63.063 63.624 -0.561 17519
10849 1 20 . 1 1 43 43 SER H H 572 8.618 8.618 8.215 0.403 17519
10850 1 20 . 1 1 44 44 GLY N N 573 111.836 111.836 111.867 -0.031 17519
10851 1 20 . 1 1 44 44 GLY C C 573 173.828 173.828 173.173 0.655 17519
10852 1 20 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.172 -0.317 17519
10853 1 20 . 1 1 44 44 GLY H H 573 8.691 8.691 8.877 -0.186 17519
10854 1 20 . 1 1 45 45 TYR N N 574 116.297 116.297 120.508 -4.211 17519
10855 1 20 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.744 1.017 17519
10856 1 20 . 1 1 45 45 TYR C C 574 175.520 175.520 174.275 1.245 17519
10857 1 20 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.193 -0.674 17519
10858 1 20 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.746 1.171 17519
10859 1 20 . 1 1 45 45 TYR H H 574 7.854 7.854 7.583 0.271 17519
10860 1 20 . 1 1 46 46 ALA N N 575 126.117 126.117 123.554 2.563 17519
10861 1 20 . 1 1 46 46 ALA HA H 575 5.407 5.407 5.201 0.206 17519
10862 1 20 . 1 1 46 46 ALA C C 575 176.096 176.096 175.080 1.016 17519
10863 1 20 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.244 0.128 17519
10864 1 20 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.818 2.548 17519
10865 1 20 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.343 0.367 17519
10866 1 20 . 1 1 47 47 LYS C C 576 173.794 173.794 174.746 -0.952 17519
10867 1 20 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.124 0.266 17519
10868 1 20 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.370 0.572 17519
10869 1 20 . 1 1 48 48 ILE N N 577 120.000 120.000 121.445 -1.445 17519
10870 1 20 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.705 -0.260 17519
10871 1 20 . 1 1 48 48 ILE C C 577 171.242 171.242 173.292 -2.050 17519
10872 1 20 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.017 1.363 17519
10873 1 20 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.144 0.172 17519
10874 1 20 . 1 1 48 48 ILE H H 577 8.041 8.041 8.904 -0.863 17519
10875 1 20 . 1 1 49 49 THR N N 578 122.357 122.357 121.572 0.785 17519
10876 1 20 . 1 1 49 49 THR HA H 578 5.344 5.344 5.406 -0.062 17519
10877 1 20 . 1 1 49 49 THR C C 578 173.601 173.601 174.147 -0.546 17519
10878 1 20 . 1 1 49 49 THR CA C 578 61.849 61.849 60.475 1.374 17519
10879 1 20 . 1 1 49 49 THR CB C 578 70.593 70.593 70.591 0.002 17519
10880 1 20 . 1 1 49 49 THR H H 578 8.043 8.043 8.405 -0.362 17519
10881 1 20 . 1 1 50 50 VAL N N 579 126.489 126.489 124.764 1.725 17519
10882 1 20 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.166 -0.026 17519
10883 1 20 . 1 1 50 50 VAL C C 579 174.015 174.015 174.503 -0.488 17519
10884 1 20 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.621 -0.369 17519
10885 1 20 . 1 1 50 50 VAL CB C 579 35.153 35.153 34.412 0.741 17519
10886 1 20 . 1 1 50 50 VAL H H 579 9.349 9.349 8.495 0.854 17519
10887 1 20 . 1 1 51 51 ASP N N 580 126.891 126.891 126.951 -0.060 17519
10888 1 20 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.098 -0.231 17519
10889 1 20 . 1 1 51 51 ASP C C 580 176.752 176.752 176.238 0.514 17519
10890 1 20 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.860 -0.334 17519
10891 1 20 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.151 0.665 17519
10892 1 20 . 1 1 51 51 ASP H H 580 8.616 8.616 8.565 0.051 17519
10893 1 20 . 1 1 52 52 ILE N N 581 118.893 118.893 119.252 -0.359 17519
10894 1 20 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.423 0.165 17519
10895 1 20 . 1 1 52 52 ILE C C 581 176.717 176.717 176.555 0.162 17519
10896 1 20 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.871 -0.770 17519
10897 1 20 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.974 -0.919 17519
10898 1 20 . 1 1 52 52 ILE H H 581 8.627 8.627 7.792 0.835 17519
10899 1 20 . 1 1 53 53 GLY N N 582 114.728 114.728 112.480 2.248 17519
10900 1 20 . 1 1 53 53 GLY C C 582 174.442 174.442 174.944 -0.502 17519
10901 1 20 . 1 1 53 53 GLY CA C 582 47.605 47.605 45.745 1.860 17519
10902 1 20 . 1 1 53 53 GLY H H 582 9.075 9.075 7.986 1.089 17519
10903 1 20 . 1 1 54 54 SER N N 583 120.404 120.404 113.933 6.471 17519
10904 1 20 . 1 1 54 54 SER HA H 583 4.549 4.549 4.265 0.284 17519
10905 1 20 . 1 1 54 54 SER C C 583 175.149 175.149 173.390 1.759 17519
10906 1 20 . 1 1 54 54 SER CA C 583 58.133 58.133 57.880 0.253 17519
10907 1 20 . 1 1 54 54 SER CB C 583 63.647 63.647 63.046 0.601 17519
10908 1 20 . 1 1 54 54 SER H H 583 8.812 8.812 8.422 0.390 17519
10909 1 20 . 1 1 55 55 ALA N N 584 125.527 125.527 123.326 2.201 17519
10910 1 20 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.530 -0.113 17519
10911 1 20 . 1 1 55 55 ALA C C 584 175.867 175.867 176.179 -0.312 17519
10912 1 20 . 1 1 55 55 ALA CA C 584 52.367 52.367 51.710 0.657 17519
10913 1 20 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.369 -0.305 17519
10914 1 20 . 1 1 55 55 ALA H H 584 7.820 7.820 7.666 0.154 17519
10915 1 20 . 1 1 56 56 SER N N 585 109.786 109.786 113.656 -3.870 17519
10916 1 20 . 1 1 56 56 SER HA H 585 4.564 4.564 4.582 -0.018 17519
10917 1 20 . 1 1 56 56 SER C C 585 173.978 173.978 173.575 0.403 17519
10918 1 20 . 1 1 56 56 SER CA C 585 58.220 58.220 58.158 0.062 17519
10919 1 20 . 1 1 56 56 SER CB C 585 64.962 64.962 64.277 0.685 17519
10920 1 20 . 1 1 56 56 SER H H 585 8.785 8.785 8.519 0.266 17519
10921 1 20 . 1 1 57 57 GLN N N 586 116.690 116.690 119.708 -3.018 17519
10922 1 20 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.902 0.246 17519
10923 1 20 . 1 1 57 57 GLN C C 586 172.923 172.923 173.176 -0.253 17519
10924 1 20 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.196 -1.200 17519
10925 1 20 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.910 1.630 17519
10926 1 20 . 1 1 57 57 GLN H H 586 7.144 7.144 7.502 -0.358 17519
10927 1 20 . 1 1 58 58 LEU N N 587 123.011 123.011 121.532 1.479 17519
10928 1 20 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.026 -0.358 17519
10929 1 20 . 1 1 58 58 LEU C C 587 173.426 173.426 174.164 -0.738 17519
10930 1 20 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.751 -0.373 17519
10931 1 20 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.197 1.461 17519
10932 1 20 . 1 1 58 58 LEU H H 587 9.226 9.226 9.082 0.144 17519
10933 1 20 . 1 1 59 59 GLU N N 588 129.185 129.185 124.545 4.640 17519
10934 1 20 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.447 -0.138 17519
10935 1 20 . 1 1 59 59 GLU C C 588 175.409 175.409 175.208 0.201 17519
10936 1 20 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.427 0.223 17519
10937 1 20 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.833 -0.785 17519
10938 1 20 . 1 1 59 59 GLU H H 588 8.830 8.830 8.378 0.452 17519
10939 1 20 . 1 1 60 60 ALA N N 589 126.011 126.011 127.082 -1.071 17519
10940 1 20 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.301 0.602 17519
10941 1 20 . 1 1 60 60 ALA C C 589 174.861 174.861 175.312 -0.451 17519
10942 1 20 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.403 -0.256 17519
10943 1 20 . 1 1 60 60 ALA CB C 589 24.857 24.857 23.193 1.664 17519
10944 1 20 . 1 1 60 60 ALA H H 589 9.748 9.748 8.418 1.330 17519
10945 1 20 . 1 1 61 61 ALA N N 590 120.783 120.783 123.695 -2.912 17519
10946 1 20 . 1 1 61 61 ALA HA H 590 4.817 4.817 5.006 -0.189 17519
10947 1 20 . 1 1 61 61 ALA C C 590 174.731 174.731 175.161 -0.430 17519
10948 1 20 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.337 0.791 17519
10949 1 20 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.720 0.380 17519
10950 1 20 . 1 1 61 61 ALA H H 590 9.392 9.392 8.998 0.394 17519
10951 1 20 . 1 1 62 62 PHE N N 591 116.572 116.572 118.415 -1.843 17519
10952 1 20 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.899 1.108 17519
10953 1 20 . 1 1 62 62 PHE C C 591 175.059 175.059 174.035 1.024 17519
10954 1 20 . 1 1 62 62 PHE CA C 591 56.456 56.456 55.769 0.687 17519
10955 1 20 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.566 0.757 17519
10956 1 20 . 1 1 62 62 PHE H H 591 8.394 8.394 8.229 0.165 17519
10957 1 20 . 1 1 63 63 ASN N N 592 116.166 116.166 120.508 -4.342 17519
10958 1 20 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.233 -0.069 17519
10959 1 20 . 1 1 63 63 ASN C C 592 172.073 172.073 175.300 -3.227 17519
10960 1 20 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.599 2.128 17519
10961 1 20 . 1 1 63 63 ASN CB C 592 41.232 41.232 41.035 0.197 17519
10962 1 20 . 1 1 63 63 ASN H H 592 9.117 9.117 9.213 -0.096 17519
10963 1 20 . 1 1 64 64 ASP N N 593 118.039 118.039 122.123 -4.084 17519
10964 1 20 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.123 0.096 17519
10965 1 20 . 1 1 64 64 ASP C C 593 177.248 177.248 177.681 -0.433 17519
10966 1 20 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.873 -3.622 17519
10967 1 20 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.696 0.026 17519
10968 1 20 . 1 1 64 64 ASP H H 593 7.558 7.558 8.115 -0.557 17519
10969 1 20 . 1 1 65 65 GLY N N 594 110.622 110.622 106.526 4.096 17519
10970 1 20 . 1 1 65 65 GLY C C 594 173.126 173.126 174.274 -1.148 17519
10971 1 20 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.559 -0.030 17519
10972 1 20 . 1 1 65 65 GLY H H 594 8.742 8.742 8.009 0.733 17519
10973 1 20 . 1 1 66 66 ASN N N 595 120.863 120.863 117.786 3.077 17519
10974 1 20 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.799 -0.042 17519
10975 1 20 . 1 1 66 66 ASN C C 595 174.434 174.434 175.200 -0.766 17519
10976 1 20 . 1 1 66 66 ASN CA C 595 52.167 52.167 53.361 -1.194 17519
10977 1 20 . 1 1 66 66 ASN CB C 595 39.388 39.388 40.151 -0.763 17519
10978 1 20 . 1 1 66 66 ASN H H 595 8.424 8.424 8.192 0.232 17519
10979 1 20 . 1 1 67 67 ASN N N 596 113.308 113.308 114.700 -1.392 17519
10980 1 20 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.605 -0.375 17519
10981 1 20 . 1 1 67 67 ASN C C 596 173.796 173.796 173.754 0.042 17519
10982 1 20 . 1 1 67 67 ASN CA C 596 54.425 54.425 53.565 0.860 17519
10983 1 20 . 1 1 67 67 ASN CB C 596 38.153 38.153 39.138 -0.985 17519
10984 1 20 . 1 1 67 67 ASN H H 596 8.744 8.744 8.550 0.194 17519
10985 1 20 . 1 1 68 68 ASN N N 597 118.418 118.418 121.873 -3.455 17519
10986 1 20 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.506 0.612 17519
10987 1 20 . 1 1 68 68 ASN C C 597 173.474 173.474 173.760 -0.286 17519
10988 1 20 . 1 1 68 68 ASN CA C 597 53.138 53.138 54.558 -1.420 17519
10989 1 20 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.355 0.267 17519
10990 1 20 . 1 1 68 68 ASN H H 597 8.032 8.032 7.896 0.136 17519
10991 1 20 . 1 1 69 69 TRP N N 598 120.990 120.990 125.077 -4.087 17519
10992 1 20 . 1 1 69 69 TRP HA H 598 4.856 4.856 4.944 -0.088 17519
10993 1 20 . 1 1 69 69 TRP C C 598 176.220 176.220 175.702 0.518 17519
10994 1 20 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.346 0.887 17519
10995 1 20 . 1 1 69 69 TRP CB C 598 32.219 32.219 32.592 -0.373 17519
10996 1 20 . 1 1 69 69 TRP H H 598 8.842 8.842 8.494 0.348 17519
10997 1 20 . 1 1 70 70 ASP N N 599 122.210 122.210 123.364 -1.154 17519
10998 1 20 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.208 0.039 17519
10999 1 20 . 1 1 70 70 ASP CA C 599 53.246 53.246 52.687 0.559 17519
11000 1 20 . 1 1 70 70 ASP CB C 599 41.898 41.898 45.215 -3.317 17519
11001 1 20 . 1 1 70 70 ASP H H 599 9.831 9.831 9.283 0.548 17519
11002 1 20 . 1 1 71 71 SER N N 600 117.252 117.252 115.095 2.157 17519
11003 1 20 . 1 1 71 71 SER HA H 600 5.141 5.141 4.650 0.491 17519
11004 1 20 . 1 1 71 71 SER CA C 600 55.907 55.907 59.439 -3.532 17519
11005 1 20 . 1 1 71 71 SER H H 600 9.328 9.328 8.714 0.614 17519
11006 1 20 . 1 1 72 72 ASN N N 601 123.197 123.197 117.101 6.096 17519
11007 1 20 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.722 -0.293 17519
11008 1 20 . 1 1 72 72 ASN C C 601 176.895 176.895 173.589 3.306 17519
11009 1 20 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.784 -1.691 17519
11010 1 20 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.050 1.100 17519
11011 1 20 . 1 1 72 72 ASN H H 601 8.715 8.715 8.432 0.283 17519
11012 1 20 . 1 1 73 73 ASN N N 602 116.099 116.099 116.770 -0.671 17519
11013 1 20 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.866 -0.422 17519
11014 1 20 . 1 1 73 73 ASN C C 602 176.304 176.304 175.172 1.132 17519
11015 1 20 . 1 1 73 73 ASN CA C 602 54.465 54.465 53.737 0.728 17519
11016 1 20 . 1 1 73 73 ASN CB C 602 37.277 37.277 39.747 -2.470 17519
11017 1 20 . 1 1 73 73 ASN H H 602 9.184 9.184 8.195 0.989 17519
11018 1 20 . 1 1 74 74 THR N N 603 110.445 110.445 111.636 -1.191 17519
11019 1 20 . 1 1 74 74 THR HA H 603 3.835 3.835 4.455 -0.620 17519
11020 1 20 . 1 1 74 74 THR C C 603 173.186 173.186 173.215 -0.029 17519
11021 1 20 . 1 1 74 74 THR CA C 603 65.006 65.006 62.789 2.217 17519
11022 1 20 . 1 1 74 74 THR CB C 603 69.653 69.653 68.911 0.742 17519
11023 1 20 . 1 1 74 74 THR H H 603 7.829 7.829 7.836 -0.007 17519
11024 1 20 . 1 1 75 75 LYS N N 604 121.909 121.909 117.539 4.370 17519
11025 1 20 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.473 -0.336 17519
11026 1 20 . 1 1 75 75 LYS C C 604 177.262 177.262 175.533 1.729 17519
11027 1 20 . 1 1 75 75 LYS CA C 604 57.767 57.767 55.380 2.388 17519
11028 1 20 . 1 1 75 75 LYS CB C 604 32.376 32.376 33.038 -0.662 17519
11029 1 20 . 1 1 75 75 LYS H H 604 7.714 7.714 7.571 0.143 17519
11030 1 20 . 1 1 76 76 ASN N N 605 108.823 108.823 117.108 -8.285 17519
11031 1 20 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.263 -0.323 17519
11032 1 20 . 1 1 76 76 ASN C C 605 171.742 171.742 174.554 -2.812 17519
11033 1 20 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.978 -0.819 17519
11034 1 20 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.432 0.595 17519
11035 1 20 . 1 1 76 76 ASN H H 605 8.274 8.274 7.886 0.388 17519
11036 1 20 . 1 1 77 77 TYR N N 606 117.628 117.628 117.460 0.168 17519
11037 1 20 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.492 0.336 17519
11038 1 20 . 1 1 77 77 TYR C C 606 174.468 174.468 174.051 0.417 17519
11039 1 20 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.276 0.293 17519
11040 1 20 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.964 -0.409 17519
11041 1 20 . 1 1 77 77 TYR H H 606 9.055 9.055 8.388 0.667 17519
11042 1 20 . 1 1 78 78 LEU N N 607 121.811 121.811 121.203 0.608 17519
11043 1 20 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.340 0.963 17519
11044 1 20 . 1 1 78 78 LEU C C 607 175.673 175.673 175.409 0.264 17519
11045 1 20 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.497 -1.253 17519
11046 1 20 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.634 1.337 17519
11047 1 20 . 1 1 78 78 LEU H H 607 7.983 7.983 8.293 -0.310 17519
11048 1 20 . 1 1 79 79 PHE N N 608 121.390 121.390 124.780 -3.390 17519
11049 1 20 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.815 0.012 17519
11050 1 20 . 1 1 79 79 PHE C C 608 175.786 175.786 174.959 0.827 17519
11051 1 20 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.493 0.358 17519
11052 1 20 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.108 0.455 17519
11053 1 20 . 1 1 79 79 PHE H H 608 9.240 9.240 8.805 0.435 17519
11054 1 20 . 1 1 80 80 SER N N 609 117.589 117.589 115.555 2.034 17519
11055 1 20 . 1 1 80 80 SER HA H 609 4.979 4.979 4.749 0.230 17519
11056 1 20 . 1 1 80 80 SER C C 609 173.269 173.269 174.031 -0.762 17519
11057 1 20 . 1 1 80 80 SER CA C 609 57.811 57.811 55.728 2.083 17519
11058 1 20 . 1 1 80 80 SER CB C 609 64.856 64.856 65.240 -0.383 17519
11059 1 20 . 1 1 80 80 SER H H 609 8.948 8.948 8.518 0.430 17519
11060 1 20 . 1 1 81 81 THR N N 610 112.845 112.845 114.131 -1.286 17519
11061 1 20 . 1 1 81 81 THR HA H 610 3.871 3.871 4.154 -0.283 17519
11062 1 20 . 1 1 81 81 THR C C 610 174.439 174.439 175.062 -0.623 17519
11063 1 20 . 1 1 81 81 THR CA C 610 64.353 64.353 63.248 1.105 17519
11064 1 20 . 1 1 81 81 THR CB C 610 69.421 69.421 69.324 0.097 17519
11065 1 20 . 1 1 82 82 GLY N N 611 112.157 112.157 112.191 -0.034 17519
11066 1 20 . 1 1 82 82 GLY C C 611 174.430 174.430 172.738 1.692 17519
11067 1 20 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.769 -0.902 17519
11068 1 20 . 1 1 82 82 GLY H H 611 8.468 8.468 8.098 0.370 17519
11069 1 20 . 1 1 83 83 THR N N 612 120.992 120.992 120.353 0.639 17519
11070 1 20 . 1 1 83 83 THR HA H 612 5.483 5.483 5.137 0.346 17519
11071 1 20 . 1 1 83 83 THR C C 612 174.819 174.819 173.661 1.158 17519
11072 1 20 . 1 1 83 83 THR CA C 612 62.563 62.563 61.480 1.083 17519
11073 1 20 . 1 1 83 83 THR CB C 612 70.093 70.093 71.575 -1.482 17519
11074 1 20 . 1 1 83 83 THR H H 612 8.736 8.736 8.262 0.474 17519
11075 1 20 . 1 1 84 84 SER N N 613 122.602 122.602 121.394 1.208 17519
11076 1 20 . 1 1 84 84 SER HA H 613 5.489 5.489 4.911 0.578 17519
11077 1 20 . 1 1 84 84 SER C C 613 172.064 172.064 173.236 -1.172 17519
11078 1 20 . 1 1 84 84 SER CA C 613 58.813 58.813 57.372 1.441 17519
11079 1 20 . 1 1 84 84 SER CB C 613 67.694 67.694 67.084 0.610 17519
11080 1 20 . 1 1 84 84 SER H H 613 9.051 9.051 9.223 -0.172 17519
11081 1 20 . 1 1 85 85 THR N N 614 117.759 117.759 119.053 -1.294 17519
11082 1 20 . 1 1 85 85 THR HA H 614 5.256 5.256 4.990 0.266 17519
11083 1 20 . 1 1 85 85 THR C C 614 173.632 173.632 173.147 0.485 17519
11084 1 20 . 1 1 85 85 THR CA C 614 62.724 62.724 62.042 0.682 17519
11085 1 20 . 1 1 85 85 THR CB C 614 70.908 70.908 70.553 0.355 17519
11086 1 20 . 1 1 85 85 THR H H 614 9.523 9.523 8.595 0.928 17519
11087 1 20 . 1 1 86 86 TYR N N 615 131.519 131.519 129.498 2.021 17519
11088 1 20 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.869 0.344 17519
11089 1 20 . 1 1 86 86 TYR C C 615 172.999 172.999 174.901 -1.902 17519
11090 1 20 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.588 0.575 17519
11091 1 20 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.511 1.058 17519
11092 1 20 . 1 1 86 86 TYR H H 615 10.029 10.029 9.530 0.499 17519
11093 1 20 . 1 1 87 87 THR N N 616 124.674 124.674 123.499 1.175 17519
11094 1 20 . 1 1 87 87 THR HA H 616 4.370 4.370 4.819 -0.449 17519
11095 1 20 . 1 1 87 87 THR CA C 616 58.725 58.725 59.509 -0.784 17519
11096 1 20 . 1 1 87 87 THR CB C 616 70.070 70.070 70.113 -0.043 17519
11097 1 20 . 1 1 87 87 THR H H 616 8.027 8.027 9.269 -1.242 17519
11098 1 20 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.692 -0.600 17519
11099 1 20 . 1 1 88 88 PRO C C 617 177.011 177.011 176.142 0.869 17519
11100 1 20 . 1 1 88 88 PRO CA C 617 62.887 62.887 61.906 0.981 17519
11101 1 20 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.429 -0.105 17519
11102 1 20 . 1 1 89 89 GLY N N 618 108.881 108.881 108.092 0.789 17519
11103 1 20 . 1 1 89 89 GLY C C 618 173.673 173.673 173.471 0.202 17519
11104 1 20 . 1 1 89 89 GLY CA C 618 43.996 43.996 43.823 0.173 17519
11105 1 20 . 1 1 89 89 GLY H H 618 8.261 8.261 8.499 -0.238 17519
11106 1 20 . 1 1 90 90 SER N N 619 114.743 114.743 115.382 -0.639 17519
11107 1 20 . 1 1 90 90 SER HA H 619 4.537 4.537 4.560 -0.023 17519
11108 1 20 . 1 1 90 90 SER C C 619 175.706 175.706 173.866 1.840 17519
11109 1 20 . 1 1 90 90 SER CA C 619 57.617 57.617 57.864 -0.247 17519
11110 1 20 . 1 1 90 90 SER CB C 619 64.294 64.294 64.599 -0.305 17519
11111 1 20 . 1 1 90 90 SER H H 619 8.380 8.380 8.187 0.193 17519
11112 1 20 . 1 1 91 91 ASN N N 620 121.360 121.360 122.920 -1.560 17519
11113 1 20 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.571 -0.159 17519
11114 1 20 . 1 1 91 91 ASN C C 620 175.289 175.289 174.663 0.626 17519
11115 1 20 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.656 0.698 17519
11116 1 20 . 1 1 91 91 ASN CB C 620 37.733 37.733 37.473 0.260 17519
11117 1 20 . 1 1 91 91 ASN H H 620 9.296 9.296 8.864 0.432 17519
11118 1 20 . 1 1 92 92 GLY N N 621 105.883 105.883 105.090 0.793 17519
11119 1 20 . 1 1 92 92 GLY C C 621 174.510 174.510 173.507 1.003 17519
11120 1 20 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.786 -0.557 17519
11121 1 20 . 1 1 92 92 GLY H H 621 8.528 8.528 8.414 0.114 17519
11122 1 20 . 1 1 93 93 ALA N N 622 123.803 123.803 122.064 1.739 17519
11123 1 20 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.515 -0.099 17519
11124 1 20 . 1 1 93 93 ALA C C 622 176.820 176.820 176.518 0.302 17519
11125 1 20 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.668 1.183 17519
11126 1 20 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.308 -0.504 17519
11127 1 20 . 1 1 93 93 ALA H H 622 7.486 7.486 7.785 -0.299 17519
11128 1 20 . 1 1 94 94 ALA N N 623 123.284 123.284 126.975 -3.691 17519
11129 1 20 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.303 0.287 17519
11130 1 20 . 1 1 94 94 ALA C C 623 178.770 178.770 177.872 0.898 17519
11131 1 20 . 1 1 94 94 ALA CA C 623 52.627 52.627 53.050 -0.423 17519
11132 1 20 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.585 0.502 17519
11133 1 20 . 1 1 94 94 ALA H H 623 8.397 8.397 8.639 -0.242 17519
11134 1 20 . 1 1 95 95 GLY N N 624 108.970 108.970 109.574 -0.604 17519
11135 1 20 . 1 1 95 95 GLY C C 624 173.156 173.156 173.541 -0.385 17519
11136 1 20 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.640 0.217 17519
11137 1 20 . 1 1 95 95 GLY H H 624 8.438 8.438 8.563 -0.125 17519
11138 1 20 . 1 1 96 96 THR N N 625 108.929 108.929 110.284 -1.355 17519
11139 1 20 . 1 1 96 96 THR HA H 625 4.603 4.603 4.698 -0.095 17519
11140 1 20 . 1 1 96 96 THR C C 625 172.765 172.765 172.731 0.034 17519
11141 1 20 . 1 1 96 96 THR CA C 625 60.350 60.350 60.990 -0.640 17519
11142 1 20 . 1 1 96 96 THR CB C 625 72.295 72.295 71.935 0.360 17519
11143 1 20 . 1 1 96 96 THR H H 625 7.833 7.833 8.297 -0.464 17519
11144 1 20 . 1 1 97 97 ILE N N 626 123.623 123.623 119.583 4.040 17519
11145 1 20 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.275 -0.458 17519
11146 1 20 . 1 1 97 97 ILE C C 626 175.596 175.596 175.416 0.180 17519
11147 1 20 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.680 1.369 17519
11148 1 20 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.573 1.605 17519
11149 1 20 . 1 1 97 97 ILE H H 626 8.594 8.594 8.257 0.337 17519
11150 1 20 . 1 1 98 98 ARG N N 627 127.431 127.431 128.155 -0.724 17519
11151 1 20 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.709 0.226 17519
11152 1 20 . 1 1 98 98 ARG C C 627 175.183 175.183 175.564 -0.381 17519
11153 1 20 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.423 -0.655 17519
11154 1 20 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.467 1.309 17519
11155 1 20 . 1 1 98 98 ARG H H 627 8.979 8.979 9.023 -0.044 17519
11156 1 20 . 1 1 99 99 THR N N 628 118.452 118.452 119.062 -0.610 17519
11157 1 20 . 1 1 99 99 THR HA H 628 4.410 4.410 4.376 0.034 17519
11158 1 20 . 1 1 99 99 THR C C 628 174.845 174.845 175.114 -0.269 17519
11159 1 20 . 1 1 99 99 THR CA C 628 63.962 63.962 62.300 1.661 17519
11160 1 20 . 1 1 99 99 THR CB C 628 69.488 69.488 69.298 0.190 17519
11161 1 20 . 1 1 99 99 THR H H 628 8.697 8.697 8.507 0.190 17519
11162 1 20 . 1 1 100 100 GLY N N 629 114.137 114.137 110.327 3.810 17519
11163 1 20 . 1 1 100 100 GLY C C 629 171.903 171.903 172.930 -1.027 17519
11164 1 20 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.220 -0.473 17519
11165 1 20 . 1 1 100 100 GLY H H 629 8.626 8.626 8.354 0.272 17519
11166 1 20 . 1 1 101 101 ALA N N 630 120.627 120.627 124.519 -3.892 17519
11167 1 20 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.155 -0.463 17519
11168 1 20 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.893 -1.465 17519
11169 1 20 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.717 -0.646 17519
11170 1 20 . 1 1 101 101 ALA H H 630 7.980 7.980 8.074 -0.094 17519
11171 1 20 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.455 -0.330 17519
11172 1 20 . 1 1 102 102 PRO C C 631 175.721 175.721 175.855 -0.134 17519
11173 1 20 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.405 0.535 17519
11174 1 20 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.690 -0.944 17519
11175 1 20 . 1 1 103 103 SER N N 632 113.689 113.689 116.535 -2.846 17519
11176 1 20 . 1 1 103 103 SER HA H 632 4.295 4.295 4.512 -0.217 17519
11177 1 20 . 1 1 103 103 SER C C 632 173.816 173.816 173.670 0.146 17519
11178 1 20 . 1 1 103 103 SER CA C 632 57.689 57.689 58.572 -0.883 17519
11179 1 20 . 1 1 103 103 SER CB C 632 64.133 64.133 62.827 1.306 17519
11180 1 20 . 1 1 103 103 SER H H 632 7.969 7.969 8.374 -0.405 17519
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 95 3.058 -0.072 3.074 17519
2 1 1 "Average Difference" HA 113 0.419 -0.035 0.419 17519
3 1 1 "Average Difference" C 95 1.273 -0.100 1.276 17519
4 1 1 "Average Difference" CA 102 1.362 -0.099 1.365 17519
5 1 1 "Average Difference" CB 88 1.151 -0.159 1.146 17519
6 1 1 "Average Difference" HN 90 0.574 -0.183 0.547 17519
7 1 2 "Average Difference" N 95 3.121 -0.194 3.132 17519
8 1 2 "Average Difference" HA 113 0.422 -0.008 0.424 17519
9 1 2 "Average Difference" C 95 1.261 -0.058 1.267 17519
10 1 2 "Average Difference" CA 102 1.362 0.046 1.368 17519
11 1 2 "Average Difference" CB 88 1.160 -0.215 1.146 17519
12 1 2 "Average Difference" HN 90 0.568 -0.170 0.545 17519
13 1 3 "Average Difference" N 95 3.150 -0.219 3.159 17519
14 1 3 "Average Difference" HA 113 0.431 -0.013 0.433 17519
15 1 3 "Average Difference" C 95 1.179 -0.132 1.177 17519
16 1 3 "Average Difference" CA 102 1.298 0.013 1.304 17519
17 1 3 "Average Difference" CB 88 1.154 -0.161 1.149 17519
18 1 3 "Average Difference" HN 90 0.560 -0.160 0.540 17519
19 1 4 "Average Difference" N 95 2.998 -0.399 2.987 17519
20 1 4 "Average Difference" HA 113 0.411 -0.036 0.412 17519
21 1 4 "Average Difference" C 95 1.208 -0.146 1.205 17519
22 1 4 "Average Difference" CA 102 1.375 0.022 1.382 17519
23 1 4 "Average Difference" CB 88 1.116 -0.204 1.104 17519
24 1 4 "Average Difference" HN 90 0.579 -0.147 0.563 17519
25 1 5 "Average Difference" N 95 3.163 -0.503 3.139 17519
26 1 5 "Average Difference" HA 113 0.441 -0.070 0.437 17519
27 1 5 "Average Difference" C 95 1.266 -0.134 1.265 17519
28 1 5 "Average Difference" CA 102 1.401 0.034 1.408 17519
29 1 5 "Average Difference" CB 88 1.123 -0.230 1.106 17519
30 1 5 "Average Difference" HN 90 0.560 -0.181 0.532 17519
31 1 6 "Average Difference" N 95 3.073 -0.236 3.080 17519
32 1 6 "Average Difference" HA 113 0.425 -0.072 0.420 17519
33 1 6 "Average Difference" C 95 1.228 -0.077 1.232 17519
34 1 6 "Average Difference" CA 102 1.318 -0.058 1.323 17519
35 1 6 "Average Difference" CB 88 1.082 -0.135 1.079 17519
36 1 6 "Average Difference" HN 90 0.569 -0.177 0.543 17519
37 1 7 "Average Difference" N 95 3.288 -0.115 3.303 17519
38 1 7 "Average Difference" HA 113 0.424 -0.055 0.422 17519
39 1 7 "Average Difference" C 95 1.307 -0.148 1.306 17519
40 1 7 "Average Difference" CA 102 1.425 -0.057 1.431 17519
41 1 7 "Average Difference" CB 88 1.155 -0.156 1.151 17519
42 1 7 "Average Difference" HN 90 0.602 -0.182 0.577 17519
43 1 8 "Average Difference" N 95 3.192 -0.206 3.203 17519
44 1 8 "Average Difference" HA 113 0.421 -0.033 0.422 17519
45 1 8 "Average Difference" C 95 1.214 -0.130 1.213 17519
46 1 8 "Average Difference" CA 102 1.369 0.028 1.376 17519
47 1 8 "Average Difference" CB 88 1.139 -0.124 1.138 17519
48 1 8 "Average Difference" HN 90 0.516 -0.181 0.485 17519
49 1 9 "Average Difference" N 95 3.218 -0.338 3.217 17519
50 1 9 "Average Difference" HA 113 0.412 -0.054 0.410 17519
51 1 9 "Average Difference" C 95 1.267 -0.101 1.270 17519
52 1 9 "Average Difference" CA 102 1.408 0.105 1.411 17519
53 1 9 "Average Difference" CB 88 1.272 -0.327 1.236 17519
54 1 9 "Average Difference" HN 90 0.569 -0.191 0.539 17519
55 1 10 "Average Difference" N 95 3.139 0.021 3.155 17519
56 1 10 "Average Difference" HA 113 0.443 -0.018 0.445 17519
57 1 10 "Average Difference" C 95 1.315 -0.072 1.320 17519
58 1 10 "Average Difference" CA 102 1.439 0.014 1.446 17519
59 1 10 "Average Difference" CB 88 1.189 -0.326 1.150 17519
60 1 10 "Average Difference" HN 90 0.562 -0.177 0.536 17519
61 1 11 "Average Difference" N 95 3.095 -0.101 3.109 17519
62 1 11 "Average Difference" HA 113 0.414 0.003 0.416 17519
63 1 11 "Average Difference" C 95 1.279 -0.156 1.276 17519
64 1 11 "Average Difference" CA 102 1.321 0.045 1.327 17519
65 1 11 "Average Difference" CB 88 1.121 -0.184 1.112 17519
66 1 11 "Average Difference" HN 90 0.559 -0.182 0.532 17519
67 1 12 "Average Difference" N 95 3.050 0.085 3.065 17519
68 1 12 "Average Difference" HA 113 0.430 -0.039 0.430 17519
69 1 12 "Average Difference" C 95 1.221 -0.130 1.220 17519
70 1 12 "Average Difference" CA 102 1.265 -0.031 1.270 17519
71 1 12 "Average Difference" CB 88 1.201 -0.205 1.190 17519
72 1 12 "Average Difference" HN 90 0.564 -0.175 0.539 17519
73 1 13 "Average Difference" N 95 3.120 -0.098 3.135 17519
74 1 13 "Average Difference" HA 113 0.444 -0.015 0.445 17519
75 1 13 "Average Difference" C 95 1.292 -0.115 1.294 17519
76 1 13 "Average Difference" CA 102 1.390 0.081 1.395 17519
77 1 13 "Average Difference" CB 88 1.164 -0.207 1.153 17519
78 1 13 "Average Difference" HN 90 0.531 -0.144 0.514 17519
79 1 14 "Average Difference" N 95 2.985 -0.185 2.995 17519
80 1 14 "Average Difference" HA 113 0.443 -0.023 0.444 17519
81 1 14 "Average Difference" C 95 1.258 -0.134 1.257 17519
82 1 14 "Average Difference" CA 102 1.349 0.036 1.355 17519
83 1 14 "Average Difference" CB 88 1.113 -0.062 1.118 17519
84 1 14 "Average Difference" HN 90 0.581 -0.131 0.569 17519
85 1 15 "Average Difference" N 95 3.018 0.072 3.033 17519
86 1 15 "Average Difference" HA 113 0.432 -0.029 0.433 17519
87 1 15 "Average Difference" C 95 1.269 -0.171 1.264 17519
88 1 15 "Average Difference" CA 102 1.363 -0.098 1.366 17519
89 1 15 "Average Difference" CB 88 1.162 -0.250 1.141 17519
90 1 15 "Average Difference" HN 90 0.548 -0.187 0.518 17519
91 1 16 "Average Difference" N 95 3.091 -0.198 3.101 17519
92 1 16 "Average Difference" HA 113 0.457 -0.059 0.455 17519
93 1 16 "Average Difference" C 95 1.214 -0.043 1.219 17519
94 1 16 "Average Difference" CA 102 1.451 0.037 1.457 17519
95 1 16 "Average Difference" CB 88 1.242 -0.114 1.244 17519
96 1 16 "Average Difference" HN 90 0.569 -0.177 0.543 17519
97 1 17 "Average Difference" N 95 2.823 -0.109 2.836 17519
98 1 17 "Average Difference" HA 113 0.437 -0.038 0.438 17519
99 1 17 "Average Difference" C 95 1.192 -0.126 1.192 17519
100 1 17 "Average Difference" CA 102 1.332 -0.117 1.333 17519
101 1 17 "Average Difference" CB 88 1.132 -0.294 1.099 17519
102 1 17 "Average Difference" HN 90 0.568 -0.189 0.539 17519
103 1 18 "Average Difference" N 95 3.094 -0.246 3.101 17519
104 1 18 "Average Difference" HA 113 0.445 -0.036 0.445 17519
105 1 18 "Average Difference" C 95 1.250 -0.160 1.247 17519
106 1 18 "Average Difference" CA 102 1.389 0.041 1.396 17519
107 1 18 "Average Difference" CB 88 1.048 -0.116 1.047 17519
108 1 18 "Average Difference" HN 90 0.591 -0.220 0.552 17519
109 1 19 "Average Difference" N 95 3.104 -0.353 3.101 17519
110 1 19 "Average Difference" HA 113 0.413 -0.033 0.413 17519
111 1 19 "Average Difference" C 95 1.258 -0.091 1.261 17519
112 1 19 "Average Difference" CA 102 1.344 0.061 1.349 17519
113 1 19 "Average Difference" CB 88 1.129 -0.066 1.134 17519
114 1 19 "Average Difference" HN 90 0.570 -0.160 0.550 17519
115 1 20 "Average Difference" N 95 3.168 -0.247 3.175 17519
116 1 20 "Average Difference" HA 113 0.444 -0.019 0.445 17519
117 1 20 "Average Difference" C 95 1.275 -0.083 1.279 17519
118 1 20 "Average Difference" CA 102 1.376 0.014 1.382 17519
119 1 20 "Average Difference" CB 88 1.158 -0.049 1.164 17519
120 1 20 "Average Difference" HN 90 0.523 -0.185 0.492 17519
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 17519
_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 GLY C C 531 174.309 174.309 174.042 0.267 17519
2 1 . 1 1 2 2 GLY CA C 531 45.176 45.176 45.205 -0.029 17519
3 1 . 1 1 3 3 THR N N 532 113.802 113.802 114.508 -0.706 17519
4 1 . 1 1 3 3 THR HA H 532 4.429 4.429 4.302 0.127 17519
5 1 . 1 1 3 3 THR C C 532 174.430 174.430 174.057 0.373 17519
6 1 . 1 1 3 3 THR CA C 532 61.577 61.577 62.559 -0.982 17519
7 1 . 1 1 3 3 THR CB C 532 69.849 69.849 69.654 0.195 17519
8 1 . 1 1 3 3 THR H H 532 8.140 8.140 8.017 0.123 17519
9 1 . 1 1 4 4 THR N N 533 115.407 115.407 115.701 -0.294 17519
10 1 . 1 1 4 4 THR HA H 533 4.350 4.350 4.321 0.029 17519
11 1 . 1 1 4 4 THR C C 533 173.831 173.831 173.300 0.531 17519
12 1 . 1 1 4 4 THR CA C 533 60.266 60.266 62.422 -2.156 17519
13 1 . 1 1 4 4 THR CB C 533 69.788 69.788 69.797 -0.009 17519
14 1 . 1 1 4 4 THR H H 533 8.019 8.019 8.339 -0.320 17519
15 1 . 1 1 5 5 ASN N N 534 121.822 121.822 121.010 0.812 17519
16 1 . 1 1 5 5 ASN HA H 534 4.836 4.836 4.935 -0.099 17519
17 1 . 1 1 5 5 ASN C C 534 174.057 174.057 174.021 0.036 17519
18 1 . 1 1 5 5 ASN CA C 534 52.686 52.686 52.513 0.173 17519
19 1 . 1 1 5 5 ASN CB C 534 39.156 39.156 40.395 -1.239 17519
20 1 . 1 1 5 5 ASN H H 534 8.863 8.863 8.491 0.372 17519
21 1 . 1 1 6 6 LYS N N 535 119.369 119.369 118.059 1.310 17519
22 1 . 1 1 6 6 LYS HA H 535 5.185 5.185 5.007 0.178 17519
23 1 . 1 1 6 6 LYS C C 535 175.924 175.924 175.020 0.904 17519
24 1 . 1 1 6 6 LYS CA C 535 54.531 54.531 55.184 -0.653 17519
25 1 . 1 1 6 6 LYS CB C 535 36.016 36.016 36.408 -0.392 17519
26 1 . 1 1 6 6 LYS H H 535 8.347 8.347 8.251 0.096 17519
27 1 . 1 1 7 7 VAL N N 536 123.112 123.112 120.111 3.001 17519
28 1 . 1 1 7 7 VAL HA H 536 4.573 4.573 4.495 0.078 17519
29 1 . 1 1 7 7 VAL C C 536 174.602 174.602 174.950 -0.348 17519
30 1 . 1 1 7 7 VAL CA C 536 61.145 61.145 60.566 0.579 17519
31 1 . 1 1 7 7 VAL CB C 536 34.773 34.773 32.915 1.859 17519
32 1 . 1 1 7 7 VAL H H 536 8.828 8.828 8.987 -0.159 17519
33 1 . 1 1 8 8 THR N N 537 125.255 125.255 124.438 0.817 17519
34 1 . 1 1 8 8 THR HA H 537 5.396 5.396 5.210 0.186 17519
35 1 . 1 1 8 8 THR C C 537 173.129 173.129 173.763 -0.634 17519
36 1 . 1 1 8 8 THR CA C 537 61.611 61.611 62.150 -0.539 17519
37 1 . 1 1 8 8 THR CB C 537 70.113 70.113 69.887 0.226 17519
38 1 . 1 1 8 8 THR H H 537 8.914 8.914 8.447 0.467 17519
39 1 . 1 1 9 9 VAL N N 538 126.696 126.696 126.562 0.135 17519
40 1 . 1 1 9 9 VAL HA H 538 4.534 4.534 4.791 -0.257 17519
41 1 . 1 1 9 9 VAL C C 538 175.565 175.565 174.390 1.175 17519
42 1 . 1 1 9 9 VAL CA C 538 60.879 60.879 60.817 0.062 17519
43 1 . 1 1 9 9 VAL CB C 538 35.179 35.179 34.427 0.752 17519
44 1 . 1 1 9 9 VAL H H 538 8.585 8.585 8.912 -0.328 17519
45 1 . 1 1 10 10 TYR N N 539 124.488 124.488 127.387 -2.899 17519
46 1 . 1 1 10 10 TYR HA H 539 5.258 5.258 5.322 -0.064 17519
47 1 . 1 1 10 10 TYR C C 539 174.309 174.309 174.812 -0.503 17519
48 1 . 1 1 10 10 TYR CA C 539 57.266 57.266 56.746 0.520 17519
49 1 . 1 1 10 10 TYR CB C 539 40.410 40.410 40.990 -0.580 17519
50 1 . 1 1 10 10 TYR H H 539 9.111 9.111 9.061 0.050 17519
51 1 . 1 1 11 11 TYR N N 540 125.848 125.848 126.132 -0.284 17519
52 1 . 1 1 11 11 TYR HA H 540 5.026 5.026 5.559 -0.533 17519
53 1 . 1 1 11 11 TYR C C 540 173.346 173.346 173.829 -0.483 17519
54 1 . 1 1 11 11 TYR CA C 540 56.602 56.602 54.944 1.658 17519
55 1 . 1 1 11 11 TYR CB C 540 42.958 42.958 42.634 0.324 17519
56 1 . 1 1 11 11 TYR H H 540 9.580 9.580 9.034 0.546 17519
57 1 . 1 1 12 12 LYS N N 541 131.489 131.489 127.412 4.077 17519
58 1 . 1 1 12 12 LYS HA H 541 3.452 3.452 3.759 -0.307 17519
59 1 . 1 1 12 12 LYS C C 541 172.904 172.904 174.770 -1.866 17519
60 1 . 1 1 12 12 LYS CA C 541 55.715 55.715 54.820 0.895 17519
61 1 . 1 1 12 12 LYS CB C 541 33.097 33.097 33.132 -0.035 17519
62 1 . 1 1 12 12 LYS H H 541 8.406 8.406 8.142 0.264 17519
63 1 . 1 1 13 13 LYS N N 542 125.132 125.132 126.941 -1.809 17519
64 1 . 1 1 13 13 LYS HA H 542 3.938 3.938 3.988 -0.050 17519
65 1 . 1 1 13 13 LYS C C 542 180.078 180.078 176.019 4.059 17519
66 1 . 1 1 13 13 LYS CA C 542 52.436 52.436 56.350 -3.914 17519
67 1 . 1 1 13 13 LYS CB C 542 31.605 31.605 32.802 -1.197 17519
68 1 . 1 1 13 13 LYS H H 542 7.515 7.515 7.637 -0.122 17519
69 1 . 1 1 14 14 GLY N N 543 112.724 112.724 112.715 0.009 17519
70 1 . 1 1 14 14 GLY C C 543 174.151 174.151 173.071 1.080 17519
71 1 . 1 1 14 14 GLY CA C 543 46.290 46.290 44.619 1.671 17519
72 1 . 1 1 14 14 GLY H H 543 7.629 7.629 8.064 -0.435 17519
73 1 . 1 1 15 15 PHE N N 544 121.583 121.583 120.240 1.343 17519
74 1 . 1 1 15 15 PHE HA H 544 4.722 4.722 4.822 -0.100 17519
75 1 . 1 1 15 15 PHE C C 544 175.876 175.876 175.888 -0.012 17519
76 1 . 1 1 15 15 PHE CA C 544 57.110 57.110 58.395 -1.285 17519
77 1 . 1 1 15 15 PHE CB C 544 38.391 38.391 40.415 -2.024 17519
78 1 . 1 1 15 15 PHE H H 544 8.557 8.557 8.597 -0.040 17519
79 1 . 1 1 16 16 ASN N N 545 117.559 117.559 116.622 0.937 17519
80 1 . 1 1 16 16 ASN HA H 545 4.464 4.464 4.830 -0.366 17519
81 1 . 1 1 16 16 ASN C C 545 176.289 176.289 174.574 1.715 17519
82 1 . 1 1 16 16 ASN CA C 545 56.420 56.420 53.671 2.749 17519
83 1 . 1 1 16 16 ASN CB C 545 39.263 39.263 39.723 -0.460 17519
84 1 . 1 1 16 16 ASN H H 545 8.561 8.561 8.549 0.012 17519
85 1 . 1 1 17 17 SER N N 546 112.901 112.901 114.244 -1.343 17519
86 1 . 1 1 17 17 SER HA H 546 4.862 4.862 4.700 0.162 17519
87 1 . 1 1 17 17 SER CA C 546 53.586 53.586 56.802 -3.216 17519
88 1 . 1 1 17 17 SER CB C 546 63.708 63.708 63.521 0.187 17519
89 1 . 1 1 18 18 PRO HA H 547 4.593 4.593 4.504 0.089 17519
90 1 . 1 1 18 18 PRO C C 547 175.806 175.806 175.469 0.337 17519
91 1 . 1 1 18 18 PRO CA C 547 62.521 62.521 62.326 0.195 17519
92 1 . 1 1 18 18 PRO CB C 547 32.663 32.663 32.421 0.242 17519
93 1 . 1 1 19 19 TYR N N 548 122.230 122.230 119.690 2.540 17519
94 1 . 1 1 19 19 TYR HA H 548 4.877 4.877 4.496 0.381 17519
95 1 . 1 1 19 19 TYR C C 548 174.660 174.660 174.618 0.042 17519
96 1 . 1 1 19 19 TYR CA C 548 56.660 56.660 57.846 -1.186 17519
97 1 . 1 1 19 19 TYR CB C 548 40.462 40.462 42.309 -1.847 17519
98 1 . 1 1 19 19 TYR H H 548 9.141 9.141 8.341 0.800 17519
99 1 . 1 1 20 20 ILE N N 549 118.425 118.425 119.018 -0.593 17519
100 1 . 1 1 20 20 ILE HA H 549 5.072 5.072 4.741 0.331 17519
101 1 . 1 1 20 20 ILE C C 549 171.422 171.422 173.384 -1.962 17519
102 1 . 1 1 20 20 ILE CA C 549 58.429 58.429 58.935 -0.506 17519
103 1 . 1 1 20 20 ILE CB C 549 41.756 41.756 41.474 0.282 17519
104 1 . 1 1 21 21 HIS N N 550 133.248 133.248 126.573 6.675 17519
105 1 . 1 1 21 21 HIS HA H 550 5.363 5.363 4.703 0.660 17519
106 1 . 1 1 21 21 HIS C C 550 174.988 174.988 173.309 1.679 17519
107 1 . 1 1 21 21 HIS CA C 550 53.915 53.915 54.065 -0.150 17519
108 1 . 1 1 21 21 HIS CB C 550 34.774 34.774 32.623 2.151 17519
109 1 . 1 1 21 21 HIS H H 550 8.956 8.956 8.340 0.616 17519
110 1 . 1 1 22 22 TYR N N 551 121.831 121.831 122.829 -0.998 17519
111 1 . 1 1 22 22 TYR HA H 551 6.183 6.183 5.417 0.766 17519
112 1 . 1 1 22 22 TYR C C 551 173.934 173.934 173.455 0.479 17519
113 1 . 1 1 22 22 TYR CA C 551 56.668 56.668 54.960 1.708 17519
114 1 . 1 1 22 22 TYR CB C 551 42.718 42.718 41.438 1.280 17519
115 1 . 1 1 22 22 TYR H H 551 8.204 8.204 8.153 0.051 17519
116 1 . 1 1 23 23 ARG N N 552 115.619 115.619 118.625 -3.006 17519
117 1 . 1 1 23 23 ARG HA H 552 4.762 4.762 4.784 -0.022 17519
118 1 . 1 1 23 23 ARG CA C 552 52.480 52.480 52.568 -0.088 17519
119 1 . 1 1 23 23 ARG CB C 552 32.038 32.038 33.054 -1.016 17519
120 1 . 1 1 23 23 ARG H H 552 8.674 8.674 8.962 -0.288 17519
121 1 . 1 1 24 24 PRO HA H 553 4.556 4.556 4.489 0.067 17519
122 1 . 1 1 24 24 PRO C C 553 176.736 176.736 176.800 -0.064 17519
123 1 . 1 1 24 24 PRO CA C 553 62.352 62.352 62.287 0.065 17519
124 1 . 1 1 24 24 PRO CB C 553 31.880 31.880 32.635 -0.755 17519
125 1 . 1 1 25 25 ALA N N 554 125.908 125.908 124.874 1.034 17519
126 1 . 1 1 25 25 ALA HA H 554 4.022 4.022 3.919 0.103 17519
127 1 . 1 1 25 25 ALA C C 554 179.217 179.217 177.846 1.371 17519
128 1 . 1 1 25 25 ALA CA C 554 54.085 54.085 53.973 0.112 17519
129 1 . 1 1 25 25 ALA CB C 554 18.232 18.232 18.222 0.010 17519
130 1 . 1 1 25 25 ALA H H 554 8.293 8.293 8.247 0.046 17519
131 1 . 1 1 26 26 GLY N N 555 111.766 111.766 105.920 5.846 17519
132 1 . 1 1 26 26 GLY C C 555 174.796 174.796 174.040 0.756 17519
133 1 . 1 1 26 26 GLY CA C 555 45.641 45.641 44.962 0.679 17519
134 1 . 1 1 26 26 GLY H H 555 8.602 8.602 8.054 0.548 17519
135 1 . 1 1 27 27 GLY N N 556 109.512 109.512 109.863 -0.351 17519
136 1 . 1 1 27 27 GLY C C 556 173.368 173.368 173.272 0.096 17519
137 1 . 1 1 27 27 GLY CA C 556 44.206 44.206 45.161 -0.955 17519
138 1 . 1 1 27 27 GLY H H 556 8.494 8.494 8.050 0.444 17519
139 1 . 1 1 28 28 SER N N 557 117.962 117.962 115.101 2.861 17519
140 1 . 1 1 28 28 SER HA H 557 4.690 4.690 4.592 0.098 17519
141 1 . 1 1 28 28 SER C C 557 173.656 173.656 172.713 0.943 17519
142 1 . 1 1 28 28 SER CA C 557 57.492 57.492 57.087 0.405 17519
143 1 . 1 1 28 28 SER CB C 557 64.803 64.803 64.609 0.194 17519
144 1 . 1 1 28 28 SER H H 557 8.681 8.681 7.658 1.023 17519
145 1 . 1 1 29 29 TRP N N 558 123.928 123.928 122.571 1.357 17519
146 1 . 1 1 29 29 TRP HA H 558 4.452 4.452 4.776 -0.324 17519
147 1 . 1 1 29 29 TRP C C 558 178.891 178.891 176.837 2.054 17519
148 1 . 1 1 29 29 TRP CA C 558 58.074 58.074 56.690 1.384 17519
149 1 . 1 1 29 29 TRP CB C 558 30.706 30.706 30.468 0.237 17519
150 1 . 1 1 29 29 TRP H H 558 8.392 8.392 8.572 -0.180 17519
151 1 . 1 1 30 30 THR N N 559 111.067 111.067 119.462 -8.395 17519
152 1 . 1 1 30 30 THR HA H 559 4.037 4.037 4.270 -0.233 17519
153 1 . 1 1 30 30 THR C C 559 174.782 174.782 174.603 0.179 17519
154 1 . 1 1 30 30 THR CA C 559 61.321 61.321 63.581 -2.259 17519
155 1 . 1 1 30 30 THR CB C 559 70.561 70.561 69.837 0.724 17519
156 1 . 1 1 30 30 THR H H 559 7.953 7.953 8.440 -0.487 17519
157 1 . 1 1 31 31 ALA N N 560 123.046 123.046 124.398 -1.353 17519
158 1 . 1 1 31 31 ALA HA H 560 4.451 4.451 4.174 0.277 17519
159 1 . 1 1 31 31 ALA C C 560 178.493 178.493 176.670 1.823 17519
160 1 . 1 1 31 31 ALA CA C 560 51.914 51.914 52.361 -0.446 17519
161 1 . 1 1 31 31 ALA CB C 560 17.999 17.999 18.700 -0.701 17519
162 1 . 1 1 31 31 ALA H H 560 8.437 8.437 8.382 0.056 17519
163 1 . 1 1 32 32 ALA N N 561 129.644 129.644 127.718 1.926 17519
164 1 . 1 1 32 32 ALA HA H 561 3.941 3.941 4.033 -0.092 17519
165 1 . 1 1 32 32 ALA CA C 561 51.756 51.756 49.983 1.773 17519
166 1 . 1 1 32 32 ALA CB C 561 16.150 16.150 18.496 -2.346 17519
167 1 . 1 1 32 32 ALA H H 561 8.828 8.828 8.212 0.616 17519
168 1 . 1 1 33 33 PRO HA H 562 3.898 3.898 4.325 -0.427 17519
169 1 . 1 1 33 33 PRO C C 562 173.280 173.280 176.778 -3.498 17519
170 1 . 1 1 33 33 PRO CA C 562 63.439 63.439 62.048 1.391 17519
171 1 . 1 1 33 33 PRO CB C 562 33.511 33.511 33.415 0.096 17519
172 1 . 1 1 34 34 GLY N N 563 112.224 112.224 109.962 2.262 17519
173 1 . 1 1 34 34 GLY C C 563 173.977 173.977 174.293 -0.316 17519
174 1 . 1 1 34 34 GLY CA C 563 43.949 43.949 46.040 -2.091 17519
175 1 . 1 1 34 34 GLY H H 563 8.763 8.763 7.849 0.914 17519
176 1 . 1 1 35 35 VAL N N 564 123.427 123.427 117.946 5.481 17519
177 1 . 1 1 35 35 VAL HA H 564 4.401 4.401 4.457 -0.056 17519
178 1 . 1 1 35 35 VAL C C 564 174.734 174.734 174.577 0.157 17519
179 1 . 1 1 35 35 VAL CA C 564 60.888 60.888 59.936 0.952 17519
180 1 . 1 1 35 35 VAL CB C 564 34.901 34.901 35.635 -0.734 17519
181 1 . 1 1 36 36 LYS N N 565 128.212 128.212 123.769 4.443 17519
182 1 . 1 1 36 36 LYS HA H 565 3.109 3.109 3.779 -0.670 17519
183 1 . 1 1 36 36 LYS C C 565 176.437 176.437 176.107 0.330 17519
184 1 . 1 1 36 36 LYS CA C 565 57.187 57.187 55.253 1.934 17519
185 1 . 1 1 36 36 LYS CB C 565 32.414 32.414 31.893 0.521 17519
186 1 . 1 1 36 36 LYS H H 565 8.486 8.486 8.346 0.140 17519
187 1 . 1 1 37 37 MET N N 566 124.964 124.964 123.523 1.441 17519
188 1 . 1 1 37 37 MET HA H 566 4.228 4.228 4.136 0.092 17519
189 1 . 1 1 37 37 MET C C 566 175.652 175.652 175.872 -0.220 17519
190 1 . 1 1 37 37 MET CA C 566 56.485 56.485 57.046 -0.561 17519
191 1 . 1 1 37 37 MET CB C 566 35.011 35.011 32.467 2.544 17519
192 1 . 1 1 37 37 MET H H 566 8.202 8.202 8.460 -0.257 17519
193 1 . 1 1 38 38 GLN N N 567 121.561 121.561 123.765 -2.204 17519
194 1 . 1 1 38 38 GLN HA H 567 4.437 4.437 4.435 0.002 17519
195 1 . 1 1 38 38 GLN C C 567 175.809 175.809 175.364 0.445 17519
196 1 . 1 1 38 38 GLN CA C 567 54.822 54.822 54.840 -0.018 17519
197 1 . 1 1 38 38 GLN CB C 567 30.182 30.182 30.602 -0.420 17519
198 1 . 1 1 38 38 GLN H H 567 8.489 8.489 8.229 0.260 17519
199 1 . 1 1 39 39 ASP N N 568 121.881 121.881 125.320 -3.439 17519
200 1 . 1 1 39 39 ASP HA H 568 4.783 4.783 4.465 0.318 17519
201 1 . 1 1 39 39 ASP C C 568 176.715 176.715 175.693 1.022 17519
202 1 . 1 1 39 39 ASP CA C 568 56.167 56.167 55.990 0.177 17519
203 1 . 1 1 39 39 ASP CB C 568 40.239 40.239 41.224 -0.985 17519
204 1 . 1 1 39 39 ASP H H 568 8.780 8.780 8.677 0.103 17519
205 1 . 1 1 40 40 ALA N N 569 122.696 122.696 126.528 -3.832 17519
206 1 . 1 1 40 40 ALA HA H 569 4.352 4.352 4.203 0.149 17519
207 1 . 1 1 40 40 ALA C C 569 175.165 175.165 177.350 -2.185 17519
208 1 . 1 1 40 40 ALA CA C 569 50.493 50.493 51.833 -1.340 17519
209 1 . 1 1 40 40 ALA CB C 569 21.735 21.735 20.301 1.435 17519
210 1 . 1 1 40 40 ALA H H 569 8.463 8.463 8.219 0.244 17519
211 1 . 1 1 41 41 GLU N N 570 120.083 120.083 117.797 2.286 17519
212 1 . 1 1 41 41 GLU HA H 570 4.351 4.351 4.481 -0.130 17519
213 1 . 1 1 41 41 GLU C C 570 174.683 174.683 177.018 -2.335 17519
214 1 . 1 1 41 41 GLU CA C 570 57.525 57.525 56.492 1.033 17519
215 1 . 1 1 41 41 GLU CB C 570 27.231 27.231 30.320 -3.089 17519
216 1 . 1 1 41 41 GLU H H 570 10.398 10.398 8.618 1.780 17519
217 1 . 1 1 42 42 ILE N N 571 119.363 119.363 120.492 -1.129 17519
218 1 . 1 1 42 42 ILE HA H 571 4.379 4.379 4.182 0.197 17519
219 1 . 1 1 42 42 ILE C C 571 174.913 174.913 176.356 -1.443 17519
220 1 . 1 1 42 42 ILE CA C 571 58.820 58.820 62.137 -3.317 17519
221 1 . 1 1 42 42 ILE CB C 571 39.586 39.586 38.242 1.344 17519
222 1 . 1 1 42 42 ILE H H 571 6.526 6.526 7.932 -1.406 17519
223 1 . 1 1 43 43 SER N N 572 121.258 121.258 115.002 6.256 17519
224 1 . 1 1 43 43 SER HA H 572 4.352 4.352 4.508 -0.156 17519
225 1 . 1 1 43 43 SER C C 572 175.617 175.617 174.068 1.549 17519
226 1 . 1 1 43 43 SER CA C 572 60.125 60.125 58.611 1.514 17519
227 1 . 1 1 43 43 SER CB C 572 63.063 63.063 63.375 -0.312 17519
228 1 . 1 1 43 43 SER H H 572 8.618 8.618 8.136 0.482 17519
229 1 . 1 1 44 44 GLY N N 573 111.836 111.836 111.773 0.063 17519
230 1 . 1 1 44 44 GLY C C 573 173.828 173.828 173.107 0.721 17519
231 1 . 1 1 44 44 GLY CA C 573 44.855 44.855 45.209 -0.354 17519
232 1 . 1 1 44 44 GLY H H 573 8.691 8.691 8.728 -0.037 17519
233 1 . 1 1 45 45 TYR N N 574 116.297 116.297 120.419 -4.122 17519
234 1 . 1 1 45 45 TYR HA H 574 5.761 5.761 4.746 1.014 17519
235 1 . 1 1 45 45 TYR C C 574 175.520 175.520 174.356 1.164 17519
236 1 . 1 1 45 45 TYR CA C 574 56.519 56.519 57.178 -0.659 17519
237 1 . 1 1 45 45 TYR CB C 574 41.917 41.917 40.883 1.034 17519
238 1 . 1 1 45 45 TYR H H 574 7.854 7.854 7.619 0.235 17519
239 1 . 1 1 46 46 ALA N N 575 126.117 126.117 123.107 3.010 17519
240 1 . 1 1 46 46 ALA HA H 575 5.407 5.407 4.877 0.530 17519
241 1 . 1 1 46 46 ALA C C 575 176.096 176.096 175.060 1.036 17519
242 1 . 1 1 46 46 ALA CA C 575 50.372 50.372 50.527 -0.155 17519
243 1 . 1 1 46 46 ALA CB C 575 24.366 24.366 21.684 2.682 17519
244 1 . 1 1 47 47 LYS HA H 576 5.710 5.710 5.410 0.301 17519
245 1 . 1 1 47 47 LYS C C 576 173.794 173.794 174.660 -0.866 17519
246 1 . 1 1 47 47 LYS CA C 576 55.390 55.390 55.216 0.174 17519
247 1 . 1 1 47 47 LYS CB C 576 36.941 36.941 36.398 0.543 17519
248 1 . 1 1 48 48 ILE N N 577 120.000 120.000 120.317 -0.317 17519
249 1 . 1 1 48 48 ILE HA H 577 4.445 4.445 4.660 -0.215 17519
250 1 . 1 1 48 48 ILE C C 577 171.242 171.242 173.376 -2.134 17519
251 1 . 1 1 48 48 ILE CA C 577 60.380 60.380 59.725 0.655 17519
252 1 . 1 1 48 48 ILE CB C 577 42.316 42.316 42.117 0.199 17519
253 1 . 1 1 48 48 ILE H H 577 8.041 8.041 8.885 -0.844 17519
254 1 . 1 1 49 49 THR N N 578 122.357 122.357 121.521 0.836 17519
255 1 . 1 1 49 49 THR HA H 578 5.344 5.344 5.457 -0.113 17519
256 1 . 1 1 49 49 THR C C 578 173.601 173.601 173.895 -0.294 17519
257 1 . 1 1 49 49 THR CA C 578 61.849 61.849 60.858 0.991 17519
258 1 . 1 1 49 49 THR CB C 578 70.593 70.593 70.782 -0.189 17519
259 1 . 1 1 49 49 THR H H 578 8.043 8.043 8.289 -0.246 17519
260 1 . 1 1 50 50 VAL N N 579 126.489 126.489 125.109 1.380 17519
261 1 . 1 1 50 50 VAL HA H 579 4.140 4.140 4.202 -0.062 17519
262 1 . 1 1 50 50 VAL C C 579 174.015 174.015 174.243 -0.228 17519
263 1 . 1 1 50 50 VAL CA C 579 60.252 60.252 60.292 -0.040 17519
264 1 . 1 1 50 50 VAL CB C 579 35.153 35.153 35.050 0.103 17519
265 1 . 1 1 50 50 VAL H H 579 9.349 9.349 8.511 0.838 17519
266 1 . 1 1 51 51 ASP N N 580 126.891 126.891 127.203 -0.312 17519
267 1 . 1 1 51 51 ASP HA H 580 4.867 4.867 5.049 -0.182 17519
268 1 . 1 1 51 51 ASP C C 580 176.752 176.752 176.143 0.609 17519
269 1 . 1 1 51 51 ASP CA C 580 53.526 53.526 53.830 -0.304 17519
270 1 . 1 1 51 51 ASP CB C 580 41.816 41.816 41.916 -0.100 17519
271 1 . 1 1 51 51 ASP H H 580 8.616 8.616 8.555 0.061 17519
272 1 . 1 1 52 52 ILE N N 581 118.893 118.893 118.390 0.503 17519
273 1 . 1 1 52 52 ILE HA H 581 4.588 4.588 4.576 0.012 17519
274 1 . 1 1 52 52 ILE C C 581 176.717 176.717 176.158 0.559 17519
275 1 . 1 1 52 52 ILE CA C 581 60.101 60.101 60.122 -0.021 17519
276 1 . 1 1 52 52 ILE CB C 581 38.055 38.055 38.657 -0.602 17519
277 1 . 1 1 52 52 ILE H H 581 8.627 8.627 8.184 0.443 17519
278 1 . 1 1 53 53 GLY N N 582 114.728 114.728 111.405 3.323 17519
279 1 . 1 1 53 53 GLY C C 582 174.442 174.442 174.896 -0.454 17519
280 1 . 1 1 53 53 GLY CA C 582 47.605 47.605 46.612 0.993 17519
281 1 . 1 1 53 53 GLY H H 582 9.075 9.075 8.434 0.641 17519
282 1 . 1 1 54 54 SER N N 583 120.404 120.404 115.057 5.347 17519
283 1 . 1 1 54 54 SER HA H 583 4.549 4.549 4.434 0.115 17519
284 1 . 1 1 54 54 SER C C 583 175.149 175.149 173.099 2.050 17519
285 1 . 1 1 54 54 SER CA C 583 58.133 58.133 58.252 -0.119 17519
286 1 . 1 1 54 54 SER CB C 583 63.647 63.647 63.245 0.402 17519
287 1 . 1 1 54 54 SER H H 583 8.812 8.812 8.146 0.666 17519
288 1 . 1 1 55 55 ALA N N 584 125.527 125.527 122.916 2.611 17519
289 1 . 1 1 55 55 ALA HA H 584 4.417 4.417 4.571 -0.155 17519
290 1 . 1 1 55 55 ALA C C 584 175.867 175.867 175.931 -0.064 17519
291 1 . 1 1 55 55 ALA CA C 584 52.367 52.367 52.121 0.246 17519
292 1 . 1 1 55 55 ALA CB C 584 20.064 20.064 20.541 -0.477 17519
293 1 . 1 1 55 55 ALA H H 584 7.820 7.820 7.703 0.117 17519
294 1 . 1 1 56 56 SER N N 585 109.786 109.786 114.615 -4.829 17519
295 1 . 1 1 56 56 SER HA H 585 4.564 4.564 4.561 0.003 17519
296 1 . 1 1 56 56 SER C C 585 173.978 173.978 173.764 0.214 17519
297 1 . 1 1 56 56 SER CA C 585 58.220 58.220 58.716 -0.496 17519
298 1 . 1 1 56 56 SER CB C 585 64.962 64.962 64.073 0.888 17519
299 1 . 1 1 56 56 SER H H 585 8.785 8.785 8.551 0.234 17519
300 1 . 1 1 57 57 GLN N N 586 116.690 116.690 119.121 -2.431 17519
301 1 . 1 1 57 57 GLN HA H 586 5.148 5.148 4.880 0.268 17519
302 1 . 1 1 57 57 GLN C C 586 172.923 172.923 173.244 -0.321 17519
303 1 . 1 1 57 57 GLN CA C 586 53.996 53.996 55.176 -1.180 17519
304 1 . 1 1 57 57 GLN CB C 586 34.540 34.540 32.863 1.677 17519
305 1 . 1 1 57 57 GLN H H 586 7.144 7.144 7.584 -0.440 17519
306 1 . 1 1 58 58 LEU N N 587 123.011 123.011 123.422 -0.411 17519
307 1 . 1 1 58 58 LEU HA H 587 4.668 4.668 5.042 -0.374 17519
308 1 . 1 1 58 58 LEU C C 587 173.426 173.426 174.335 -0.909 17519
309 1 . 1 1 58 58 LEU CA C 587 53.378 53.378 53.913 -0.535 17519
310 1 . 1 1 58 58 LEU CB C 587 47.658 47.658 46.349 1.309 17519
311 1 . 1 1 58 58 LEU H H 587 9.226 9.226 9.161 0.065 17519
312 1 . 1 1 59 59 GLU N N 588 129.185 129.185 124.695 4.490 17519
313 1 . 1 1 59 59 GLU HA H 588 5.309 5.309 5.304 0.005 17519
314 1 . 1 1 59 59 GLU C C 588 175.409 175.409 174.934 0.475 17519
315 1 . 1 1 59 59 GLU CA C 588 54.650 54.650 54.035 0.615 17519
316 1 . 1 1 59 59 GLU CB C 588 32.048 32.048 32.135 -0.087 17519
317 1 . 1 1 59 59 GLU H H 588 8.830 8.830 8.789 0.041 17519
318 1 . 1 1 60 60 ALA N N 589 126.011 126.011 125.215 0.796 17519
319 1 . 1 1 60 60 ALA HA H 589 5.903 5.903 5.220 0.683 17519
320 1 . 1 1 60 60 ALA C C 589 174.861 174.861 175.414 -0.553 17519
321 1 . 1 1 60 60 ALA CA C 589 51.147 51.147 51.238 -0.091 17519
322 1 . 1 1 60 60 ALA CB C 589 24.857 24.857 22.899 1.958 17519
323 1 . 1 1 60 60 ALA H H 589 9.748 9.748 8.461 1.287 17519
324 1 . 1 1 61 61 ALA N N 590 120.783 120.783 123.859 -3.076 17519
325 1 . 1 1 61 61 ALA HA H 590 4.817 4.817 4.938 -0.121 17519
326 1 . 1 1 61 61 ALA C C 590 174.731 174.731 175.167 -0.436 17519
327 1 . 1 1 61 61 ALA CA C 590 51.128 51.128 50.371 0.757 17519
328 1 . 1 1 61 61 ALA CB C 590 23.100 23.100 22.380 0.720 17519
329 1 . 1 1 61 61 ALA H H 590 9.392 9.392 8.828 0.564 17519
330 1 . 1 1 62 62 PHE N N 591 116.572 116.572 118.078 -1.506 17519
331 1 . 1 1 62 62 PHE HA H 591 6.007 6.007 4.879 1.128 17519
332 1 . 1 1 62 62 PHE C C 591 175.059 175.059 174.262 0.797 17519
333 1 . 1 1 62 62 PHE CA C 591 56.456 56.456 55.917 0.539 17519
334 1 . 1 1 62 62 PHE CB C 591 43.323 43.323 42.123 1.200 17519
335 1 . 1 1 62 62 PHE H H 591 8.394 8.394 8.498 -0.104 17519
336 1 . 1 1 63 63 ASN N N 592 116.166 116.166 119.964 -3.798 17519
337 1 . 1 1 63 63 ASN HA H 592 5.164 5.164 5.305 -0.141 17519
338 1 . 1 1 63 63 ASN C C 592 172.073 172.073 174.835 -2.762 17519
339 1 . 1 1 63 63 ASN CA C 592 53.727 53.727 51.801 1.926 17519
340 1 . 1 1 63 63 ASN CB C 592 41.232 41.232 40.989 0.243 17519
341 1 . 1 1 63 63 ASN H H 592 9.117 9.117 8.715 0.402 17519
342 1 . 1 1 64 64 ASP N N 593 118.039 118.039 121.606 -3.567 17519
343 1 . 1 1 64 64 ASP HA H 593 4.219 4.219 4.236 -0.017 17519
344 1 . 1 1 64 64 ASP C C 593 177.248 177.248 177.123 0.125 17519
345 1 . 1 1 64 64 ASP CA C 593 52.251 52.251 55.708 -3.457 17519
346 1 . 1 1 64 64 ASP CB C 593 40.722 40.722 40.877 -0.155 17519
347 1 . 1 1 64 64 ASP H H 593 7.558 7.558 8.226 -0.668 17519
348 1 . 1 1 65 65 GLY N N 594 110.622 110.622 106.329 4.293 17519
349 1 . 1 1 65 65 GLY C C 594 173.126 173.126 173.655 -0.529 17519
350 1 . 1 1 65 65 GLY CA C 594 45.529 45.529 45.165 0.364 17519
351 1 . 1 1 65 65 GLY H H 594 8.742 8.742 8.082 0.660 17519
352 1 . 1 1 66 66 ASN N N 595 120.863 120.863 118.286 2.577 17519
353 1 . 1 1 66 66 ASN HA H 595 4.757 4.757 4.835 -0.078 17519
354 1 . 1 1 66 66 ASN C C 595 174.434 174.434 174.343 0.091 17519
355 1 . 1 1 66 66 ASN CA C 595 52.167 52.167 53.256 -1.089 17519
356 1 . 1 1 66 66 ASN CB C 595 39.388 39.388 38.933 0.455 17519
357 1 . 1 1 66 66 ASN H H 595 8.424 8.424 8.000 0.424 17519
358 1 . 1 1 67 67 ASN N N 596 113.308 113.308 117.365 -4.057 17519
359 1 . 1 1 67 67 ASN HA H 596 4.230 4.230 4.697 -0.467 17519
360 1 . 1 1 67 67 ASN C C 596 173.796 173.796 174.140 -0.344 17519
361 1 . 1 1 67 67 ASN CA C 596 54.425 54.425 54.180 0.245 17519
362 1 . 1 1 67 67 ASN CB C 596 38.153 38.153 38.606 -0.453 17519
363 1 . 1 1 67 67 ASN H H 596 8.744 8.744 8.710 0.034 17519
364 1 . 1 1 68 68 ASN N N 597 118.418 118.418 119.500 -1.082 17519
365 1 . 1 1 68 68 ASN HA H 597 5.118 5.118 4.972 0.146 17519
366 1 . 1 1 68 68 ASN C C 597 173.474 173.474 173.662 -0.188 17519
367 1 . 1 1 68 68 ASN CA C 597 53.138 53.138 52.802 0.336 17519
368 1 . 1 1 68 68 ASN CB C 597 38.622 38.622 38.752 -0.130 17519
369 1 . 1 1 68 68 ASN H H 597 8.032 8.032 8.317 -0.285 17519
370 1 . 1 1 69 69 TRP N N 598 120.990 120.990 122.950 -1.960 17519
371 1 . 1 1 69 69 TRP HA H 598 4.856 4.856 5.115 -0.259 17519
372 1 . 1 1 69 69 TRP C C 598 176.220 176.220 176.397 -0.177 17519
373 1 . 1 1 69 69 TRP CA C 598 57.233 57.233 56.276 0.957 17519
374 1 . 1 1 69 69 TRP CB C 598 32.219 32.219 31.019 1.200 17519
375 1 . 1 1 69 69 TRP H H 598 8.842 8.842 8.416 0.426 17519
376 1 . 1 1 70 70 ASP N N 599 122.210 122.210 123.434 -1.224 17519
377 1 . 1 1 70 70 ASP HA H 599 5.247 5.247 5.034 0.213 17519
378 1 . 1 1 70 70 ASP CA C 599 53.246 53.246 53.914 -0.668 17519
379 1 . 1 1 70 70 ASP CB C 599 41.898 41.898 41.701 0.197 17519
380 1 . 1 1 70 70 ASP H H 599 9.831 9.831 8.938 0.893 17519
381 1 . 1 1 71 71 SER N N 600 117.252 117.252 116.348 0.904 17519
382 1 . 1 1 71 71 SER HA H 600 5.141 5.141 4.504 0.637 17519
383 1 . 1 1 71 71 SER CA C 600 55.907 55.907 59.890 -3.983 17519
384 1 . 1 1 71 71 SER H H 600 9.328 9.328 8.496 0.832 17519
385 1 . 1 1 72 72 ASN N N 601 123.197 123.197 117.283 5.914 17519
386 1 . 1 1 72 72 ASN HA H 601 4.429 4.429 4.680 -0.251 17519
387 1 . 1 1 72 72 ASN C C 601 176.895 176.895 174.582 2.313 17519
388 1 . 1 1 72 72 ASN CA C 601 53.093 53.093 54.179 -1.086 17519
389 1 . 1 1 72 72 ASN CB C 601 39.150 39.150 38.439 0.711 17519
390 1 . 1 1 72 72 ASN H H 601 8.715 8.715 8.486 0.229 17519
391 1 . 1 1 73 73 ASN N N 602 116.099 116.099 116.989 -0.890 17519
392 1 . 1 1 73 73 ASN HA H 602 4.444 4.444 4.604 -0.160 17519
393 1 . 1 1 73 73 ASN C C 602 176.304 176.304 174.497 1.807 17519
394 1 . 1 1 73 73 ASN CA C 602 54.465 54.465 54.838 -0.373 17519
395 1 . 1 1 73 73 ASN CB C 602 37.277 37.277 38.841 -1.563 17519
396 1 . 1 1 73 73 ASN H H 602 9.184 9.184 8.480 0.704 17519
397 1 . 1 1 74 74 THR N N 603 110.445 110.445 112.842 -2.397 17519
398 1 . 1 1 74 74 THR HA H 603 3.835 3.835 4.340 -0.505 17519
399 1 . 1 1 74 74 THR C C 603 173.186 173.186 173.116 0.070 17519
400 1 . 1 1 74 74 THR CA C 603 65.006 65.006 62.793 2.213 17519
401 1 . 1 1 74 74 THR CB C 603 69.653 69.653 69.152 0.501 17519
402 1 . 1 1 74 74 THR H H 603 7.829 7.829 7.987 -0.158 17519
403 1 . 1 1 75 75 LYS N N 604 121.909 121.909 120.853 1.056 17519
404 1 . 1 1 75 75 LYS HA H 604 4.137 4.137 4.356 -0.219 17519
405 1 . 1 1 75 75 LYS C C 604 177.262 177.262 175.431 1.831 17519
406 1 . 1 1 75 75 LYS CA C 604 57.767 57.767 56.179 1.588 17519
407 1 . 1 1 75 75 LYS CB C 604 32.376 32.376 32.937 -0.561 17519
408 1 . 1 1 75 75 LYS H H 604 7.714 7.714 8.065 -0.351 17519
409 1 . 1 1 76 76 ASN N N 605 108.823 108.823 116.532 -7.709 17519
410 1 . 1 1 76 76 ASN HA H 605 3.940 3.940 4.346 -0.406 17519
411 1 . 1 1 76 76 ASN C C 605 171.742 171.742 174.564 -2.822 17519
412 1 . 1 1 76 76 ASN CA C 605 54.159 54.159 54.294 -0.135 17519
413 1 . 1 1 76 76 ASN CB C 605 39.027 39.027 38.463 0.565 17519
414 1 . 1 1 76 76 ASN H H 605 8.274 8.274 7.946 0.328 17519
415 1 . 1 1 77 77 TYR N N 606 117.628 117.628 117.303 0.325 17519
416 1 . 1 1 77 77 TYR HA H 606 4.827 4.827 4.608 0.219 17519
417 1 . 1 1 77 77 TYR C C 606 174.468 174.468 174.359 0.109 17519
418 1 . 1 1 77 77 TYR CA C 606 57.569 57.569 57.145 0.424 17519
419 1 . 1 1 77 77 TYR CB C 606 41.555 41.555 41.200 0.355 17519
420 1 . 1 1 77 77 TYR H H 606 9.055 9.055 8.325 0.730 17519
421 1 . 1 1 78 78 LEU N N 607 121.811 121.811 120.922 0.889 17519
422 1 . 1 1 78 78 LEU HA H 607 5.303 5.303 4.433 0.870 17519
423 1 . 1 1 78 78 LEU C C 607 175.673 175.673 175.461 0.212 17519
424 1 . 1 1 78 78 LEU CA C 607 53.244 53.244 54.125 -0.881 17519
425 1 . 1 1 78 78 LEU CB C 607 43.971 43.971 42.884 1.087 17519
426 1 . 1 1 78 78 LEU H H 607 7.983 7.983 8.313 -0.330 17519
427 1 . 1 1 79 79 PHE N N 608 121.390 121.390 122.710 -1.320 17519
428 1 . 1 1 79 79 PHE HA H 608 4.827 4.827 4.898 -0.071 17519
429 1 . 1 1 79 79 PHE C C 608 175.786 175.786 174.750 1.036 17519
430 1 . 1 1 79 79 PHE CA C 608 56.851 56.851 56.402 0.449 17519
431 1 . 1 1 79 79 PHE CB C 608 42.563 42.563 42.511 0.052 17519
432 1 . 1 1 79 79 PHE H H 608 9.240 9.240 8.862 0.378 17519
433 1 . 1 1 80 80 SER N N 609 117.589 117.589 115.823 1.766 17519
434 1 . 1 1 80 80 SER HA H 609 4.979 4.979 4.799 0.180 17519
435 1 . 1 1 80 80 SER C C 609 173.269 173.269 174.390 -1.121 17519
436 1 . 1 1 80 80 SER CA C 609 57.811 57.811 56.247 1.564 17519
437 1 . 1 1 80 80 SER CB C 609 64.856 64.856 64.855 0.001 17519
438 1 . 1 1 80 80 SER H H 609 8.948 8.948 8.624 0.324 17519
439 1 . 1 1 81 81 THR N N 610 112.845 112.845 114.140 -1.295 17519
440 1 . 1 1 81 81 THR HA H 610 3.871 3.871 4.163 -0.292 17519
441 1 . 1 1 81 81 THR C C 610 174.439 174.439 175.350 -0.911 17519
442 1 . 1 1 81 81 THR CA C 610 64.353 64.353 63.438 0.915 17519
443 1 . 1 1 81 81 THR CB C 610 69.421 69.421 69.230 0.191 17519
444 1 . 1 1 82 82 GLY N N 611 112.157 112.157 110.961 1.196 17519
445 1 . 1 1 82 82 GLY C C 611 174.430 174.430 172.648 1.782 17519
446 1 . 1 1 82 82 GLY CA C 611 43.866 43.866 44.671 -0.804 17519
447 1 . 1 1 82 82 GLY H H 611 8.468 8.468 8.046 0.422 17519
448 1 . 1 1 83 83 THR N N 612 120.992 120.992 119.034 1.958 17519
449 1 . 1 1 83 83 THR HA H 612 5.483 5.483 5.031 0.452 17519
450 1 . 1 1 83 83 THR C C 612 174.819 174.819 173.621 1.198 17519
451 1 . 1 1 83 83 THR CA C 612 62.563 62.563 61.822 0.740 17519
452 1 . 1 1 83 83 THR CB C 612 70.093 70.093 70.747 -0.654 17519
453 1 . 1 1 83 83 THR H H 612 8.736 8.736 8.244 0.492 17519
454 1 . 1 1 84 84 SER N N 613 122.602 122.602 121.206 1.396 17519
455 1 . 1 1 84 84 SER HA H 613 5.489 5.489 4.975 0.514 17519
456 1 . 1 1 84 84 SER C C 613 172.064 172.064 172.917 -0.853 17519
457 1 . 1 1 84 84 SER CA C 613 58.813 58.813 57.237 1.576 17519
458 1 . 1 1 84 84 SER CB C 613 67.694 67.694 66.325 1.369 17519
459 1 . 1 1 84 84 SER H H 613 9.051 9.051 9.145 -0.094 17519
460 1 . 1 1 85 85 THR N N 614 117.759 117.759 119.203 -1.444 17519
461 1 . 1 1 85 85 THR HA H 614 5.256 5.256 5.133 0.123 17519
462 1 . 1 1 85 85 THR C C 614 173.632 173.632 172.902 0.730 17519
463 1 . 1 1 85 85 THR CA C 614 62.724 62.724 61.906 0.818 17519
464 1 . 1 1 85 85 THR CB C 614 70.908 70.908 70.903 0.005 17519
465 1 . 1 1 85 85 THR H H 614 9.523 9.523 8.661 0.862 17519
466 1 . 1 1 86 86 TYR N N 615 131.519 131.519 129.174 2.345 17519
467 1 . 1 1 86 86 TYR HA H 615 5.213 5.213 4.827 0.387 17519
468 1 . 1 1 86 86 TYR C C 615 172.999 172.999 174.208 -1.209 17519
469 1 . 1 1 86 86 TYR CA C 615 57.163 57.163 56.283 0.880 17519
470 1 . 1 1 86 86 TYR CB C 615 41.569 41.569 40.273 1.296 17519
471 1 . 1 1 86 86 TYR H H 615 10.029 10.029 9.463 0.566 17519
472 1 . 1 1 87 87 THR N N 616 124.674 124.674 124.145 0.529 17519
473 1 . 1 1 87 87 THR HA H 616 4.370 4.370 4.712 -0.342 17519
474 1 . 1 1 87 87 THR CA C 616 58.725 58.725 59.489 -0.764 17519
475 1 . 1 1 87 87 THR CB C 616 70.070 70.070 69.760 0.310 17519
476 1 . 1 1 87 87 THR H H 616 8.027 8.027 9.028 -1.002 17519
477 1 . 1 1 88 88 PRO HA H 617 4.092 4.092 4.557 -0.465 17519
478 1 . 1 1 88 88 PRO C C 617 177.011 177.011 176.723 0.288 17519
479 1 . 1 1 88 88 PRO CA C 617 62.887 62.887 62.191 0.696 17519
480 1 . 1 1 88 88 PRO CB C 617 32.324 32.324 32.337 -0.013 17519
481 1 . 1 1 89 89 GLY N N 618 108.881 108.881 108.145 0.736 17519
482 1 . 1 1 89 89 GLY C C 618 173.673 173.673 174.172 -0.499 17519
483 1 . 1 1 89 89 GLY CA C 618 43.996 43.996 44.335 -0.339 17519
484 1 . 1 1 89 89 GLY H H 618 8.261 8.261 8.179 0.082 17519
485 1 . 1 1 90 90 SER N N 619 114.743 114.743 114.967 -0.224 17519
486 1 . 1 1 90 90 SER HA H 619 4.537 4.537 4.489 0.048 17519
487 1 . 1 1 90 90 SER C C 619 175.706 175.706 174.399 1.307 17519
488 1 . 1 1 90 90 SER CA C 619 57.617 57.617 58.709 -1.092 17519
489 1 . 1 1 90 90 SER CB C 619 64.294 64.294 63.721 0.573 17519
490 1 . 1 1 90 90 SER H H 619 8.380 8.380 8.389 -0.009 17519
491 1 . 1 1 91 91 ASN N N 620 121.360 121.360 120.580 0.780 17519
492 1 . 1 1 91 91 ASN HA H 620 4.412 4.412 4.749 -0.337 17519
493 1 . 1 1 91 91 ASN C C 620 175.289 175.289 175.208 0.082 17519
494 1 . 1 1 91 91 ASN CA C 620 54.353 54.353 53.476 0.877 17519
495 1 . 1 1 91 91 ASN CB C 620 37.733 37.733 38.330 -0.597 17519
496 1 . 1 1 91 91 ASN H H 620 9.296 9.296 8.244 1.052 17519
497 1 . 1 1 92 92 GLY N N 621 105.883 105.883 107.720 -1.837 17519
498 1 . 1 1 92 92 GLY C C 621 174.510 174.510 173.515 0.995 17519
499 1 . 1 1 92 92 GLY CA C 621 45.229 45.229 45.801 -0.572 17519
500 1 . 1 1 92 92 GLY H H 621 8.528 8.528 8.472 0.056 17519
501 1 . 1 1 93 93 ALA N N 622 123.803 123.803 122.482 1.321 17519
502 1 . 1 1 93 93 ALA HA H 622 4.416 4.416 4.596 -0.180 17519
503 1 . 1 1 93 93 ALA C C 622 176.820 176.820 176.237 0.583 17519
504 1 . 1 1 93 93 ALA CA C 622 51.851 51.851 50.778 1.073 17519
505 1 . 1 1 93 93 ALA CB C 622 19.804 19.804 20.232 -0.428 17519
506 1 . 1 1 93 93 ALA H H 622 7.486 7.486 7.840 -0.354 17519
507 1 . 1 1 94 94 ALA N N 623 123.284 123.284 127.216 -3.932 17519
508 1 . 1 1 94 94 ALA HA H 623 4.590 4.590 4.304 0.285 17519
509 1 . 1 1 94 94 ALA C C 623 178.770 178.770 177.633 1.137 17519
510 1 . 1 1 94 94 ALA CA C 623 52.627 52.627 52.818 -0.191 17519
511 1 . 1 1 94 94 ALA CB C 623 20.087 20.087 19.418 0.669 17519
512 1 . 1 1 94 94 ALA H H 623 8.397 8.397 8.656 -0.259 17519
513 1 . 1 1 95 95 GLY N N 624 108.970 108.970 109.947 -0.977 17519
514 1 . 1 1 95 95 GLY C C 624 173.156 173.156 173.496 -0.340 17519
515 1 . 1 1 95 95 GLY CA C 624 44.857 44.857 44.943 -0.086 17519
516 1 . 1 1 95 95 GLY H H 624 8.438 8.438 8.596 -0.158 17519
517 1 . 1 1 96 96 THR N N 625 108.929 108.929 111.610 -2.681 17519
518 1 . 1 1 96 96 THR HA H 625 4.603 4.603 4.574 0.029 17519
519 1 . 1 1 96 96 THR C C 625 172.765 172.765 172.679 0.086 17519
520 1 . 1 1 96 96 THR CA C 625 60.350 60.350 60.651 -0.301 17519
521 1 . 1 1 96 96 THR CB C 625 72.295 72.295 71.913 0.382 17519
522 1 . 1 1 96 96 THR H H 625 7.833 7.833 8.136 -0.303 17519
523 1 . 1 1 97 97 ILE N N 626 123.623 123.623 119.879 3.744 17519
524 1 . 1 1 97 97 ILE HA H 626 4.817 4.817 5.139 -0.322 17519
525 1 . 1 1 97 97 ILE C C 626 175.596 175.596 175.361 0.235 17519
526 1 . 1 1 97 97 ILE CA C 626 61.049 61.049 59.624 1.425 17519
527 1 . 1 1 97 97 ILE CB C 626 41.178 41.178 39.833 1.345 17519
528 1 . 1 1 97 97 ILE H H 626 8.594 8.594 8.252 0.342 17519
529 1 . 1 1 98 98 ARG N N 627 127.431 127.431 127.630 -0.199 17519
530 1 . 1 1 98 98 ARG HA H 627 4.935 4.935 4.714 0.221 17519
531 1 . 1 1 98 98 ARG C C 627 175.183 175.183 175.393 -0.210 17519
532 1 . 1 1 98 98 ARG CA C 627 53.768 53.768 54.273 -0.505 17519
533 1 . 1 1 98 98 ARG CB C 627 33.776 33.776 32.828 0.948 17519
534 1 . 1 1 98 98 ARG H H 627 8.979 8.979 9.009 -0.030 17519
535 1 . 1 1 99 99 THR N N 628 118.452 118.452 119.154 -0.702 17519
536 1 . 1 1 99 99 THR HA H 628 4.410 4.410 4.450 -0.040 17519
537 1 . 1 1 99 99 THR C C 628 174.845 174.845 175.009 -0.164 17519
538 1 . 1 1 99 99 THR CA C 628 63.962 63.962 62.066 1.896 17519
539 1 . 1 1 99 99 THR CB C 628 69.488 69.488 69.182 0.305 17519
540 1 . 1 1 99 99 THR H H 628 8.697 8.697 8.481 0.216 17519
541 1 . 1 1 100 100 GLY N N 629 114.137 114.137 110.246 3.891 17519
542 1 . 1 1 100 100 GLY C C 629 171.903 171.903 172.844 -0.941 17519
543 1 . 1 1 100 100 GLY CA C 629 43.747 43.747 44.299 -0.552 17519
544 1 . 1 1 100 100 GLY H H 629 8.626 8.626 8.333 0.293 17519
545 1 . 1 1 101 101 ALA N N 630 120.627 120.627 124.986 -4.359 17519
546 1 . 1 1 101 101 ALA HA H 630 3.692 3.692 4.160 -0.468 17519
547 1 . 1 1 101 101 ALA CA C 630 49.428 49.428 50.918 -1.490 17519
548 1 . 1 1 101 101 ALA CB C 630 18.071 18.071 18.597 -0.526 17519
549 1 . 1 1 101 101 ALA H H 630 7.980 7.980 8.208 -0.228 17519
550 1 . 1 1 102 102 PRO HA H 631 4.125 4.125 4.412 -0.287 17519
551 1 . 1 1 102 102 PRO C C 631 175.721 175.721 176.210 -0.489 17519
552 1 . 1 1 102 102 PRO CA C 631 62.940 62.940 62.322 0.618 17519
553 1 . 1 1 102 102 PRO CB C 631 31.745 31.745 32.579 -0.834 17519
554 1 . 1 1 103 103 SER N N 632 113.689 113.689 115.923 -2.234 17519
555 1 . 1 1 103 103 SER HA H 632 4.295 4.295 4.332 -0.037 17519
556 1 . 1 1 103 103 SER C C 632 173.816 173.816 174.211 -0.395 17519
557 1 . 1 1 103 103 SER CA C 632 57.689 57.689 58.447 -0.758 17519
558 1 . 1 1 103 103 SER CB C 632 64.133 64.133 62.929 1.205 17519
559 1 . 1 1 103 103 SER H H 632 7.969 7.969 8.286 -0.317 17519
stop_
save_