data_17690
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17690
_Entry.PDB_ID 2LE3
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 17690
_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 ALA N N 2 127.360 127.360 126.216 1.144 17690
2 1 1 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.369 -0.040 17690
3 1 1 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.246 0.133 17690
4 1 1 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.495 -0.444 17690
5 1 1 . 1 1 2 2 ALA H H 2 8.637 8.637 8.152 0.485 17690
6 1 1 . 1 1 3 3 GLU N N 3 121.660 121.660 120.914 0.746 17690
7 1 1 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.612 -0.395 17690
8 1 1 . 1 1 3 3 GLU CA C 3 56.479 56.479 55.614 0.865 17690
9 1 1 . 1 1 3 3 GLU CB C 3 30.019 30.019 33.236 -3.217 17690
10 1 1 . 1 1 3 3 GLU H H 3 8.421 8.421 8.511 -0.090 17690
11 1 1 . 1 1 4 4 ALA N N 4 125.777 125.777 127.218 -1.441 17690
12 1 1 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.050 0.212 17690
13 1 1 . 1 1 4 4 ALA CA C 4 52.220 52.220 55.038 -2.818 17690
14 1 1 . 1 1 4 4 ALA CB C 4 19.104 19.104 18.272 0.832 17690
15 1 1 . 1 1 4 4 ALA H H 4 8.306 8.306 8.904 -0.598 17690
16 1 1 . 1 1 5 5 HIS N N 5 118.168 118.168 116.796 1.372 17690
17 1 1 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.310 0.396 17690
18 1 1 . 1 1 5 5 HIS CA C 5 54.669 54.669 59.939 -5.270 17690
19 1 1 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.002 -1.155 17690
20 1 1 . 1 1 5 5 HIS H H 5 8.431 8.431 8.411 0.020 17690
21 1 1 . 1 1 6 6 GLN N N 6 122.323 122.323 117.081 5.242 17690
22 1 1 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.159 0.180 17690
23 1 1 . 1 1 6 6 GLN CA C 6 55.734 55.734 58.007 -2.273 17690
24 1 1 . 1 1 6 6 GLN CB C 6 29.593 29.593 28.742 0.851 17690
25 1 1 . 1 1 6 6 GLN H H 6 8.337 8.337 8.277 0.060 17690
26 1 1 . 1 1 7 7 ALA N N 7 126.205 126.205 121.087 5.118 17690
27 1 1 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.264 0.085 17690
28 1 1 . 1 1 7 7 ALA CA C 7 52.060 52.060 54.225 -2.165 17690
29 1 1 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.759 -0.495 17690
30 1 1 . 1 1 7 7 ALA H H 7 8.374 8.374 7.828 0.546 17690
31 1 1 . 1 1 8 8 VAL N N 8 121.228 121.228 118.049 3.179 17690
32 1 1 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.324 -0.359 17690
33 1 1 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.952 0.224 17690
34 1 1 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.774 -1.466 17690
35 1 1 . 1 1 8 8 VAL H H 8 8.200 8.200 7.860 0.340 17690
36 1 1 . 1 1 9 9 ALA N N 9 128.767 128.767 128.719 0.048 17690
37 1 1 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.611 -0.199 17690
38 1 1 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.585 0.753 17690
39 1 1 . 1 1 9 9 ALA CB C 9 20.225 20.225 20.734 -0.509 17690
40 1 1 . 1 1 9 9 ALA H H 9 8.324 8.324 8.781 -0.457 17690
41 1 1 . 1 1 10 10 PHE N N 10 115.148 115.148 116.749 -1.601 17690
42 1 1 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.829 -0.444 17690
43 1 1 . 1 1 10 10 PHE CA C 10 55.893 55.893 54.107 1.786 17690
44 1 1 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.949 0.995 17690
45 1 1 . 1 1 10 10 PHE H H 10 7.578 7.578 7.988 -0.410 17690
46 1 1 . 1 1 11 11 GLN N N 11 123.516 123.516 122.640 0.876 17690
47 1 1 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.519 -0.065 17690
48 1 1 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.434 0.874 17690
49 1 1 . 1 1 11 11 GLN CB C 11 31.771 31.771 32.908 -1.137 17690
50 1 1 . 1 1 11 11 GLN H H 11 8.653 8.653 8.989 -0.336 17690
51 1 1 . 1 1 12 12 PHE N N 12 126.845 126.845 126.009 0.836 17690
52 1 1 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.595 -0.014 17690
53 1 1 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.420 0.899 17690
54 1 1 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.214 1.103 17690
55 1 1 . 1 1 12 12 PHE H H 12 8.769 8.769 8.629 0.140 17690
56 1 1 . 1 1 13 13 THR N N 13 122.078 122.078 124.328 -2.250 17690
57 1 1 . 1 1 13 13 THR HA H 13 4.492 4.492 4.309 0.183 17690
58 1 1 . 1 1 13 13 THR CA C 13 61.111 61.111 61.053 0.058 17690
59 1 1 . 1 1 13 13 THR CB C 13 71.757 71.757 71.702 0.055 17690
60 1 1 . 1 1 13 13 THR H H 13 8.724 8.724 9.206 -0.482 17690
61 1 1 . 1 1 14 14 VAL N N 14 125.702 125.702 127.046 -1.344 17690
62 1 1 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.570 -0.078 17690
63 1 1 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.248 -0.350 17690
64 1 1 . 1 1 14 14 VAL CB C 14 32.521 32.521 33.448 -0.927 17690
65 1 1 . 1 1 14 14 VAL H H 14 8.573 8.573 8.376 0.197 17690
66 1 1 . 1 1 15 15 THR N N 15 121.390 121.390 122.684 -1.294 17690
67 1 1 . 1 1 15 15 THR CA C 15 58.895 58.895 58.771 0.124 17690
68 1 1 . 1 1 15 15 THR CB C 15 68.453 68.453 69.299 -0.846 17690
69 1 1 . 1 1 15 15 THR H H 15 8.888 8.888 8.835 0.053 17690
70 1 1 . 1 1 17 17 ASP N N 17 111.883 111.883 116.762 -4.879 17690
71 1 1 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.581 0.197 17690
72 1 1 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.465 -0.275 17690
73 1 1 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.059 0.668 17690
74 1 1 . 1 1 17 17 ASP H H 17 7.742 7.742 8.439 -0.697 17690
75 1 1 . 1 1 18 18 GLY N N 18 110.771 110.771 107.011 3.760 17690
76 1 1 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.052 0.672 17690
77 1 1 . 1 1 18 18 GLY H H 18 7.461 7.461 7.877 -0.416 17690
78 1 1 . 1 1 19 19 ILE N N 19 115.499 115.499 116.911 -1.412 17690
79 1 1 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.295 -0.107 17690
80 1 1 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.148 -1.291 17690
81 1 1 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.255 -0.045 17690
82 1 1 . 1 1 19 19 ILE H H 19 8.631 8.631 8.230 0.401 17690
83 1 1 . 1 1 20 20 ASP N N 20 123.215 123.215 123.751 -0.536 17690
84 1 1 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.073 0.374 17690
85 1 1 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.801 0.271 17690
86 1 1 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.527 -1.305 17690
87 1 1 . 1 1 20 20 ASP H H 20 8.694 8.694 9.034 -0.340 17690
88 1 1 . 1 1 21 21 LEU N N 21 129.031 129.031 123.656 5.375 17690
89 1 1 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.331 -0.062 17690
90 1 1 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.330 -0.566 17690
91 1 1 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.946 0.193 17690
92 1 1 . 1 1 21 21 LEU H H 21 9.421 9.421 8.606 0.815 17690
93 1 1 . 1 1 22 22 ARG N N 22 124.860 124.860 123.903 0.957 17690
94 1 1 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.781 0.604 17690
95 1 1 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.970 -0.567 17690
96 1 1 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.197 -0.357 17690
97 1 1 . 1 1 22 22 ARG H H 22 8.862 8.862 9.174 -0.312 17690
98 1 1 . 1 1 23 23 LEU N N 23 122.825 122.825 123.860 -1.035 17690
99 1 1 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.308 -0.039 17690
100 1 1 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.624 -1.458 17690
101 1 1 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.761 -0.307 17690
102 1 1 . 1 1 23 23 LEU H H 23 8.149 8.149 8.616 -0.467 17690
103 1 1 . 1 1 24 24 SER N N 24 118.505 118.505 118.443 0.062 17690
104 1 1 . 1 1 24 24 SER HA H 24 4.189 4.189 4.665 -0.476 17690
105 1 1 . 1 1 24 24 SER CA C 24 57.331 57.331 57.523 -0.192 17690
106 1 1 . 1 1 24 24 SER CB C 24 64.678 64.678 65.935 -1.257 17690
107 1 1 . 1 1 24 24 SER H H 24 8.428 8.428 8.616 -0.188 17690
108 1 1 . 1 1 25 25 HIS N N 25 120.283 120.283 123.230 -2.947 17690
109 1 1 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.259 0.234 17690
110 1 1 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.532 -0.539 17690
111 1 1 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.840 -0.034 17690
112 1 1 . 1 1 25 25 HIS H H 25 8.280 8.280 8.975 -0.695 17690
113 1 1 . 1 1 26 26 GLU N N 26 120.235 120.235 119.286 0.949 17690
114 1 1 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.072 0.234 17690
115 1 1 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.959 -0.138 17690
116 1 1 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.352 -0.558 17690
117 1 1 . 1 1 26 26 GLU H H 26 8.605 8.605 8.071 0.534 17690
118 1 1 . 1 1 27 27 ALA N N 27 123.290 123.290 122.351 0.939 17690
119 1 1 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.131 -0.101 17690
120 1 1 . 1 1 27 27 ALA CA C 27 55.414 55.414 55.019 0.395 17690
121 1 1 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.492 0.186 17690
122 1 1 . 1 1 27 27 ALA H H 27 7.939 7.939 7.816 0.123 17690
123 1 1 . 1 1 28 28 LEU N N 28 116.982 116.982 119.014 -2.032 17690
124 1 1 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.987 -0.013 17690
125 1 1 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.665 0.411 17690
126 1 1 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.564 -0.152 17690
127 1 1 . 1 1 28 28 LEU H H 28 8.051 8.051 7.563 0.488 17690
128 1 1 . 1 1 29 29 ARG N N 29 119.663 119.663 119.592 0.071 17690
129 1 1 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.985 -0.017 17690
130 1 1 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.797 0.142 17690
131 1 1 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.037 0.194 17690
132 1 1 . 1 1 29 29 ARG H H 29 8.185 8.185 7.671 0.514 17690
133 1 1 . 1 1 30 30 GLN N N 30 116.955 116.955 118.458 -1.503 17690
134 1 1 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.118 -0.079 17690
135 1 1 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.990 -0.115 17690
136 1 1 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.835 -0.786 17690
137 1 1 . 1 1 30 30 GLN H H 30 8.097 8.097 7.658 0.439 17690
138 1 1 . 1 1 31 31 ILE N N 31 121.761 121.761 120.844 0.917 17690
139 1 1 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.666 0.009 17690
140 1 1 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.242 -0.038 17690
141 1 1 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.995 -0.953 17690
142 1 1 . 1 1 31 31 ILE H H 31 8.386 8.386 7.700 0.686 17690
143 1 1 . 1 1 32 32 TYR N N 32 120.917 120.917 120.431 0.486 17690
144 1 1 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.138 -0.010 17690
145 1 1 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.248 -1.277 17690
146 1 1 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.632 -0.415 17690
147 1 1 . 1 1 32 32 TYR H H 32 8.330 8.330 8.094 0.236 17690
148 1 1 . 1 1 33 33 LEU N N 33 117.824 117.824 118.898 -1.074 17690
149 1 1 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.636 0.217 17690
150 1 1 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.949 -0.352 17690
151 1 1 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.655 0.076 17690
152 1 1 . 1 1 33 33 LEU H H 33 8.446 8.446 7.773 0.673 17690
153 1 1 . 1 1 34 34 SER N N 34 114.939 114.939 114.737 0.202 17690
154 1 1 . 1 1 34 34 SER HA H 34 4.297 4.297 4.239 0.058 17690
155 1 1 . 1 1 34 34 SER CA C 34 61.643 61.643 62.342 -0.699 17690
156 1 1 . 1 1 34 34 SER CB C 34 63.560 63.560 62.747 0.813 17690
157 1 1 . 1 1 34 34 SER H H 34 8.002 8.002 8.494 -0.492 17690
158 1 1 . 1 1 35 35 GLY N N 35 110.407 110.407 110.175 0.232 17690
159 1 1 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.695 -0.012 17690
160 1 1 . 1 1 35 35 GLY H H 35 8.354 8.354 7.822 0.532 17690
161 1 1 . 1 1 36 36 LEU N N 36 121.693 121.693 123.083 -1.390 17690
162 1 1 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.904 0.109 17690
163 1 1 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.385 -0.267 17690
164 1 1 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.388 0.397 17690
165 1 1 . 1 1 36 36 LEU H H 36 8.198 8.198 7.732 0.466 17690
166 1 1 . 1 1 37 37 HIS N N 37 115.842 115.842 117.412 -1.570 17690
167 1 1 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.428 0.136 17690
168 1 1 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.573 -2.234 17690
169 1 1 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.980 -1.080 17690
170 1 1 . 1 1 37 37 HIS H H 37 7.912 7.912 7.880 0.032 17690
171 1 1 . 1 1 38 38 SER N N 38 114.737 114.737 115.402 -0.665 17690
172 1 1 . 1 1 38 38 SER HA H 38 4.342 4.342 4.115 0.227 17690
173 1 1 . 1 1 38 38 SER CA C 38 59.833 59.833 62.249 -2.416 17690
174 1 1 . 1 1 38 38 SER CB C 38 62.868 62.868 63.101 -0.233 17690
175 1 1 . 1 1 38 38 SER H H 38 7.871 7.871 7.619 0.252 17690
176 1 1 . 1 1 39 39 TRP N N 39 122.888 122.888 119.602 3.286 17690
177 1 1 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.414 0.078 17690
178 1 1 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.838 0.078 17690
179 1 1 . 1 1 39 39 TRP CB C 39 29.220 29.220 29.767 -0.547 17690
180 1 1 . 1 1 39 39 TRP H H 39 7.968 7.968 7.513 0.455 17690
181 1 1 . 1 1 40 40 LYS N N 40 120.822 120.822 119.827 0.995 17690
182 1 1 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.290 -0.020 17690
183 1 1 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.199 0.014 17690
184 1 1 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.313 -0.743 17690
185 1 1 . 1 1 40 40 LYS H H 40 7.775 7.775 7.494 0.281 17690
186 1 1 . 1 1 41 41 LYS N N 41 123.403 123.403 123.390 0.013 17690
187 1 1 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.299 -0.100 17690
188 1 1 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.589 0.316 17690
189 1 1 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.944 -0.747 17690
190 1 1 . 1 1 41 41 LYS H H 41 8.087 8.087 8.352 -0.265 17690
191 1 2 . 1 1 2 2 ALA N N 2 127.360 127.360 124.909 2.451 17690
192 1 2 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.100 0.229 17690
193 1 2 . 1 1 2 2 ALA CA C 2 52.379 52.379 53.158 -0.779 17690
194 1 2 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.065 -0.014 17690
195 1 2 . 1 1 2 2 ALA H H 2 8.637 8.637 8.254 0.383 17690
196 1 2 . 1 1 3 3 GLU N N 3 121.660 121.660 115.790 5.870 17690
197 1 2 . 1 1 3 3 GLU HA H 3 4.217 4.217 3.837 0.380 17690
198 1 2 . 1 1 3 3 GLU CA C 3 56.479 56.479 56.264 0.215 17690
199 1 2 . 1 1 3 3 GLU CB C 3 30.019 30.019 27.924 2.095 17690
200 1 2 . 1 1 3 3 GLU H H 3 8.421 8.421 8.502 -0.081 17690
201 1 2 . 1 1 4 4 ALA N N 4 125.777 125.777 121.544 4.233 17690
202 1 2 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.134 0.128 17690
203 1 2 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.346 -0.126 17690
204 1 2 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.599 -0.494 17690
205 1 2 . 1 1 4 4 ALA H H 4 8.306 8.306 7.714 0.592 17690
206 1 2 . 1 1 5 5 HIS N N 5 118.168 118.168 120.611 -2.443 17690
207 1 2 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.734 -0.028 17690
208 1 2 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.988 -1.319 17690
209 1 2 . 1 1 5 5 HIS CB C 5 28.847 28.847 31.761 -2.914 17690
210 1 2 . 1 1 5 5 HIS H H 5 8.431 8.431 8.405 0.026 17690
211 1 2 . 1 1 6 6 GLN N N 6 122.323 122.323 121.451 0.872 17690
212 1 2 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.082 0.257 17690
213 1 2 . 1 1 6 6 GLN CA C 6 55.734 55.734 56.168 -0.434 17690
214 1 2 . 1 1 6 6 GLN CB C 6 29.593 29.593 28.307 1.286 17690
215 1 2 . 1 1 6 6 GLN H H 6 8.337 8.337 8.830 -0.493 17690
216 1 2 . 1 1 7 7 ALA N N 7 126.205 126.205 125.805 0.400 17690
217 1 2 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.506 -0.157 17690
218 1 2 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.636 0.424 17690
219 1 2 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.676 -1.412 17690
220 1 2 . 1 1 7 7 ALA H H 7 8.374 8.374 8.081 0.293 17690
221 1 2 . 1 1 8 8 VAL N N 8 121.228 121.228 121.367 -0.139 17690
222 1 2 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.347 -0.382 17690
223 1 2 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.640 0.536 17690
224 1 2 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.840 -2.532 17690
225 1 2 . 1 1 8 8 VAL H H 8 8.200 8.200 8.340 -0.140 17690
226 1 2 . 1 1 9 9 ALA N N 9 128.767 128.767 128.774 -0.007 17690
227 1 2 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.141 0.271 17690
228 1 2 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.466 -0.128 17690
229 1 2 . 1 1 9 9 ALA CB C 9 20.225 20.225 18.999 1.226 17690
230 1 2 . 1 1 9 9 ALA H H 9 8.324 8.324 8.541 -0.217 17690
231 1 2 . 1 1 10 10 PHE N N 10 115.148 115.148 112.236 2.912 17690
232 1 2 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.731 -0.346 17690
233 1 2 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.791 2.102 17690
234 1 2 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.738 1.206 17690
235 1 2 . 1 1 10 10 PHE H H 10 7.578 7.578 7.660 -0.082 17690
236 1 2 . 1 1 11 11 GLN N N 11 123.516 123.516 120.315 3.201 17690
237 1 2 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.845 -0.391 17690
238 1 2 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.696 0.612 17690
239 1 2 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.194 -1.423 17690
240 1 2 . 1 1 11 11 GLN H H 11 8.653 8.653 9.198 -0.545 17690
241 1 2 . 1 1 12 12 PHE N N 12 126.845 126.845 126.041 0.804 17690
242 1 2 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.724 -0.143 17690
243 1 2 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.361 0.958 17690
244 1 2 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.293 1.024 17690
245 1 2 . 1 1 12 12 PHE H H 12 8.769 8.769 8.782 -0.013 17690
246 1 2 . 1 1 13 13 THR N N 13 122.078 122.078 121.589 0.489 17690
247 1 2 . 1 1 13 13 THR HA H 13 4.492 4.492 4.465 0.027 17690
248 1 2 . 1 1 13 13 THR CA C 13 61.111 61.111 60.490 0.621 17690
249 1 2 . 1 1 13 13 THR CB C 13 71.757 71.757 71.597 0.160 17690
250 1 2 . 1 1 13 13 THR H H 13 8.724 8.724 9.188 -0.464 17690
251 1 2 . 1 1 14 14 VAL N N 14 125.702 125.702 126.475 -0.773 17690
252 1 2 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.529 -0.037 17690
253 1 2 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.745 -0.847 17690
254 1 2 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.489 0.033 17690
255 1 2 . 1 1 14 14 VAL H H 14 8.573 8.573 8.507 0.066 17690
256 1 2 . 1 1 15 15 THR N N 15 121.390 121.390 121.361 0.029 17690
257 1 2 . 1 1 15 15 THR CA C 15 58.895 58.895 58.590 0.305 17690
258 1 2 . 1 1 15 15 THR CB C 15 68.453 68.453 69.912 -1.459 17690
259 1 2 . 1 1 15 15 THR H H 15 8.888 8.888 8.823 0.065 17690
260 1 2 . 1 1 17 17 ASP N N 17 111.883 111.883 116.695 -4.812 17690
261 1 2 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.587 0.191 17690
262 1 2 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.479 -0.289 17690
263 1 2 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.130 0.597 17690
264 1 2 . 1 1 17 17 ASP H H 17 7.742 7.742 8.404 -0.662 17690
265 1 2 . 1 1 18 18 GLY N N 18 110.771 110.771 107.051 3.720 17690
266 1 2 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.098 0.626 17690
267 1 2 . 1 1 18 18 GLY H H 18 7.461 7.461 7.945 -0.484 17690
268 1 2 . 1 1 19 19 ILE N N 19 115.499 115.499 116.534 -1.035 17690
269 1 2 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.336 -0.148 17690
270 1 2 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.322 -1.465 17690
271 1 2 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.128 0.083 17690
272 1 2 . 1 1 19 19 ILE H H 19 8.631 8.631 8.221 0.410 17690
273 1 2 . 1 1 20 20 ASP N N 20 123.215 123.215 124.495 -1.280 17690
274 1 2 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.125 0.322 17690
275 1 2 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.234 -0.162 17690
276 1 2 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.647 -1.425 17690
277 1 2 . 1 1 20 20 ASP H H 20 8.694 8.694 9.054 -0.360 17690
278 1 2 . 1 1 21 21 LEU N N 21 129.031 129.031 122.666 6.365 17690
279 1 2 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.334 -0.065 17690
280 1 2 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.439 -0.675 17690
281 1 2 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.494 0.645 17690
282 1 2 . 1 1 21 21 LEU H H 21 9.421 9.421 8.632 0.789 17690
283 1 2 . 1 1 22 22 ARG N N 22 124.860 124.860 124.584 0.276 17690
284 1 2 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.856 0.529 17690
285 1 2 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.934 -0.532 17690
286 1 2 . 1 1 22 22 ARG CB C 22 32.840 32.840 32.990 -0.150 17690
287 1 2 . 1 1 22 22 ARG H H 22 8.862 8.862 9.130 -0.268 17690
288 1 2 . 1 1 23 23 LEU N N 23 122.825 122.825 123.510 -0.685 17690
289 1 2 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.172 0.097 17690
290 1 2 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.746 -1.580 17690
291 1 2 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.343 0.111 17690
292 1 2 . 1 1 23 23 LEU H H 23 8.149 8.149 8.499 -0.350 17690
293 1 2 . 1 1 24 24 SER N N 24 118.505 118.505 117.475 1.030 17690
294 1 2 . 1 1 24 24 SER HA H 24 4.189 4.189 4.472 -0.283 17690
295 1 2 . 1 1 24 24 SER CA C 24 57.331 57.331 57.145 0.186 17690
296 1 2 . 1 1 24 24 SER CB C 24 64.678 64.678 64.334 0.344 17690
297 1 2 . 1 1 24 24 SER H H 24 8.428 8.428 8.359 0.069 17690
298 1 2 . 1 1 25 25 HIS N N 25 120.283 120.283 121.097 -0.814 17690
299 1 2 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.234 0.259 17690
300 1 2 . 1 1 25 25 HIS CA C 25 59.993 59.993 59.970 0.023 17690
301 1 2 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.791 0.014 17690
302 1 2 . 1 1 25 25 HIS H H 25 8.280 8.280 8.832 -0.552 17690
303 1 2 . 1 1 26 26 GLU N N 26 120.235 120.235 119.382 0.853 17690
304 1 2 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.068 0.238 17690
305 1 2 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.853 -0.033 17690
306 1 2 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.422 -0.628 17690
307 1 2 . 1 1 26 26 GLU H H 26 8.605 8.605 8.753 -0.148 17690
308 1 2 . 1 1 27 27 ALA N N 27 123.290 123.290 121.934 1.356 17690
309 1 2 . 1 1 27 27 ALA HA H 27 4.030 4.030 3.980 0.050 17690
310 1 2 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.783 0.631 17690
311 1 2 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.291 0.387 17690
312 1 2 . 1 1 27 27 ALA H H 27 7.939 7.939 7.359 0.580 17690
313 1 2 . 1 1 28 28 LEU N N 28 116.982 116.982 118.934 -1.952 17690
314 1 2 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.972 0.002 17690
315 1 2 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.610 0.466 17690
316 1 2 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.565 -0.153 17690
317 1 2 . 1 1 28 28 LEU H H 28 8.051 8.051 7.532 0.519 17690
318 1 2 . 1 1 29 29 ARG N N 29 119.663 119.663 119.637 0.026 17690
319 1 2 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.965 0.003 17690
320 1 2 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.779 0.160 17690
321 1 2 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.012 0.219 17690
322 1 2 . 1 1 29 29 ARG H H 29 8.185 8.185 7.712 0.473 17690
323 1 2 . 1 1 30 30 GLN N N 30 116.955 116.955 118.562 -1.607 17690
324 1 2 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.120 -0.081 17690
325 1 2 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.872 0.003 17690
326 1 2 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.782 -0.733 17690
327 1 2 . 1 1 30 30 GLN H H 30 8.097 8.097 7.751 0.346 17690
328 1 2 . 1 1 31 31 ILE N N 31 121.761 121.761 120.944 0.817 17690
329 1 2 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.685 -0.010 17690
330 1 2 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.340 -0.136 17690
331 1 2 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.014 -0.972 17690
332 1 2 . 1 1 31 31 ILE H H 31 8.386 8.386 7.763 0.623 17690
333 1 2 . 1 1 32 32 TYR N N 32 120.917 120.917 120.423 0.494 17690
334 1 2 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.096 0.032 17690
335 1 2 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.350 -1.379 17690
336 1 2 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.609 -0.392 17690
337 1 2 . 1 1 32 32 TYR H H 32 8.330 8.330 8.099 0.231 17690
338 1 2 . 1 1 33 33 LEU N N 33 117.824 117.824 118.811 -0.987 17690
339 1 2 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.645 0.208 17690
340 1 2 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.830 -0.233 17690
341 1 2 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.610 0.121 17690
342 1 2 . 1 1 33 33 LEU H H 33 8.446 8.446 7.847 0.599 17690
343 1 2 . 1 1 34 34 SER N N 34 114.939 114.939 114.321 0.618 17690
344 1 2 . 1 1 34 34 SER HA H 34 4.297 4.297 4.277 0.020 17690
345 1 2 . 1 1 34 34 SER CA C 34 61.643 61.643 61.674 -0.031 17690
346 1 2 . 1 1 34 34 SER CB C 34 63.560 63.560 62.874 0.686 17690
347 1 2 . 1 1 34 34 SER H H 34 8.002 8.002 8.490 -0.488 17690
348 1 2 . 1 1 35 35 GLY N N 35 110.407 110.407 109.340 1.067 17690
349 1 2 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.708 -0.025 17690
350 1 2 . 1 1 35 35 GLY H H 35 8.354 8.354 7.914 0.440 17690
351 1 2 . 1 1 36 36 LEU N N 36 121.693 121.693 123.147 -1.454 17690
352 1 2 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.851 0.162 17690
353 1 2 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.358 -0.240 17690
354 1 2 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.442 0.343 17690
355 1 2 . 1 1 36 36 LEU H H 36 8.198 8.198 7.917 0.281 17690
356 1 2 . 1 1 37 37 HIS N N 37 115.842 115.842 116.765 -0.923 17690
357 1 2 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.800 -0.236 17690
358 1 2 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.651 -2.312 17690
359 1 2 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.540 -0.640 17690
360 1 2 . 1 1 37 37 HIS H H 37 7.912 7.912 7.894 0.018 17690
361 1 2 . 1 1 38 38 SER N N 38 114.737 114.737 115.674 -0.937 17690
362 1 2 . 1 1 38 38 SER HA H 38 4.342 4.342 4.194 0.148 17690
363 1 2 . 1 1 38 38 SER CA C 38 59.833 59.833 60.738 -0.905 17690
364 1 2 . 1 1 38 38 SER CB C 38 62.868 62.868 63.004 -0.136 17690
365 1 2 . 1 1 38 38 SER H H 38 7.871 7.871 7.734 0.137 17690
366 1 2 . 1 1 39 39 TRP N N 39 122.888 122.888 123.233 -0.345 17690
367 1 2 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.424 0.068 17690
368 1 2 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.744 -0.828 17690
369 1 2 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.555 -1.335 17690
370 1 2 . 1 1 39 39 TRP H H 39 7.968 7.968 7.798 0.170 17690
371 1 2 . 1 1 40 40 LYS N N 40 120.822 120.822 118.706 2.116 17690
372 1 2 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.146 0.124 17690
373 1 2 . 1 1 40 40 LYS CA C 40 56.213 56.213 54.691 1.522 17690
374 1 2 . 1 1 40 40 LYS CB C 40 32.570 32.570 34.531 -1.961 17690
375 1 2 . 1 1 40 40 LYS H H 40 7.775 7.775 7.508 0.267 17690
376 1 2 . 1 1 41 41 LYS N N 41 123.403 123.403 124.847 -1.444 17690
377 1 2 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.187 0.012 17690
378 1 2 . 1 1 41 41 LYS CA C 41 56.905 56.905 57.344 -0.439 17690
379 1 2 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.833 -0.636 17690
380 1 2 . 1 1 41 41 LYS H H 41 8.087 8.087 8.422 -0.335 17690
381 1 3 . 1 1 2 2 ALA N N 2 127.360 127.360 125.229 2.131 17690
382 1 3 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.245 0.084 17690
383 1 3 . 1 1 2 2 ALA CA C 2 52.379 52.379 53.236 -0.857 17690
384 1 3 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.296 -0.245 17690
385 1 3 . 1 1 2 2 ALA H H 2 8.637 8.637 8.443 0.194 17690
386 1 3 . 1 1 3 3 GLU N N 3 121.660 121.660 118.609 3.051 17690
387 1 3 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.516 -0.299 17690
388 1 3 . 1 1 3 3 GLU CA C 3 56.479 56.479 55.553 0.926 17690
389 1 3 . 1 1 3 3 GLU CB C 3 30.019 30.019 31.001 -0.982 17690
390 1 3 . 1 1 3 3 GLU H H 3 8.421 8.421 8.048 0.373 17690
391 1 3 . 1 1 4 4 ALA N N 4 125.777 125.777 126.689 -0.912 17690
392 1 3 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.061 0.201 17690
393 1 3 . 1 1 4 4 ALA CA C 4 52.220 52.220 53.593 -1.373 17690
394 1 3 . 1 1 4 4 ALA CB C 4 19.104 19.104 18.890 0.214 17690
395 1 3 . 1 1 4 4 ALA H H 4 8.306 8.306 8.484 -0.178 17690
396 1 3 . 1 1 5 5 HIS N N 5 118.168 118.168 117.733 0.435 17690
397 1 3 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.707 -0.001 17690
398 1 3 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.243 -0.574 17690
399 1 3 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.356 -1.509 17690
400 1 3 . 1 1 5 5 HIS H H 5 8.431 8.431 7.994 0.437 17690
401 1 3 . 1 1 6 6 GLN N N 6 122.323 122.323 123.620 -1.297 17690
402 1 3 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.347 -0.008 17690
403 1 3 . 1 1 6 6 GLN CA C 6 55.734 55.734 56.146 -0.412 17690
404 1 3 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.323 0.270 17690
405 1 3 . 1 1 6 6 GLN H H 6 8.337 8.337 8.673 -0.336 17690
406 1 3 . 1 1 7 7 ALA N N 7 126.205 126.205 127.535 -1.330 17690
407 1 3 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.385 -0.036 17690
408 1 3 . 1 1 7 7 ALA CA C 7 52.060 52.060 52.855 -0.795 17690
409 1 3 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.318 -0.054 17690
410 1 3 . 1 1 7 7 ALA H H 7 8.374 8.374 8.563 -0.189 17690
411 1 3 . 1 1 8 8 VAL N N 8 121.228 121.228 117.786 3.442 17690
412 1 3 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.225 -0.260 17690
413 1 3 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.884 0.292 17690
414 1 3 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.585 -1.277 17690
415 1 3 . 1 1 8 8 VAL H H 8 8.200 8.200 7.626 0.574 17690
416 1 3 . 1 1 9 9 ALA N N 9 128.767 128.767 130.145 -1.378 17690
417 1 3 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.224 0.188 17690
418 1 3 . 1 1 9 9 ALA CA C 9 53.338 53.338 54.220 -0.882 17690
419 1 3 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.287 0.938 17690
420 1 3 . 1 1 9 9 ALA H H 9 8.324 8.324 8.586 -0.262 17690
421 1 3 . 1 1 10 10 PHE N N 10 115.148 115.148 117.967 -2.819 17690
422 1 3 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.611 -0.226 17690
423 1 3 . 1 1 10 10 PHE CA C 10 55.893 55.893 55.124 0.769 17690
424 1 3 . 1 1 10 10 PHE CB C 10 41.944 41.944 41.696 0.248 17690
425 1 3 . 1 1 10 10 PHE H H 10 7.578 7.578 7.742 -0.164 17690
426 1 3 . 1 1 11 11 GLN N N 11 123.516 123.516 127.013 -3.497 17690
427 1 3 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.489 -0.035 17690
428 1 3 . 1 1 11 11 GLN CA C 11 55.308 55.308 53.993 1.315 17690
429 1 3 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.337 -1.566 17690
430 1 3 . 1 1 11 11 GLN H H 11 8.653 8.653 9.390 -0.737 17690
431 1 3 . 1 1 12 12 PHE N N 12 126.845 126.845 127.307 -0.462 17690
432 1 3 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.704 -0.123 17690
433 1 3 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.141 1.179 17690
434 1 3 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.327 0.991 17690
435 1 3 . 1 1 12 12 PHE H H 12 8.769 8.769 8.523 0.246 17690
436 1 3 . 1 1 13 13 THR N N 13 122.078 122.078 123.841 -1.763 17690
437 1 3 . 1 1 13 13 THR HA H 13 4.492 4.492 4.326 0.166 17690
438 1 3 . 1 1 13 13 THR CA C 13 61.111 61.111 61.056 0.055 17690
439 1 3 . 1 1 13 13 THR CB C 13 71.757 71.757 71.481 0.276 17690
440 1 3 . 1 1 13 13 THR H H 13 8.724 8.724 9.364 -0.640 17690
441 1 3 . 1 1 14 14 VAL N N 14 125.702 125.702 127.459 -1.757 17690
442 1 3 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.573 -0.081 17690
443 1 3 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.403 -0.505 17690
444 1 3 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.629 -0.108 17690
445 1 3 . 1 1 14 14 VAL H H 14 8.573 8.573 8.423 0.150 17690
446 1 3 . 1 1 15 15 THR N N 15 121.390 121.390 122.912 -1.522 17690
447 1 3 . 1 1 15 15 THR CA C 15 58.895 58.895 58.740 0.155 17690
448 1 3 . 1 1 15 15 THR CB C 15 68.453 68.453 70.967 -2.514 17690
449 1 3 . 1 1 15 15 THR H H 15 8.888 8.888 8.811 0.077 17690
450 1 3 . 1 1 17 17 ASP N N 17 111.883 111.883 116.656 -4.773 17690
451 1 3 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.569 0.209 17690
452 1 3 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.919 -0.729 17690
453 1 3 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.602 0.125 17690
454 1 3 . 1 1 17 17 ASP H H 17 7.742 7.742 8.012 -0.270 17690
455 1 3 . 1 1 18 18 GLY N N 18 110.771 110.771 107.054 3.717 17690
456 1 3 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.093 0.631 17690
457 1 3 . 1 1 18 18 GLY H H 18 7.461 7.461 7.935 -0.474 17690
458 1 3 . 1 1 19 19 ILE N N 19 115.499 115.499 116.853 -1.354 17690
459 1 3 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.332 -0.144 17690
460 1 3 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.226 -1.369 17690
461 1 3 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.320 -0.109 17690
462 1 3 . 1 1 19 19 ILE H H 19 8.631 8.631 8.241 0.390 17690
463 1 3 . 1 1 20 20 ASP N N 20 123.215 123.215 123.557 -0.342 17690
464 1 3 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.103 0.344 17690
465 1 3 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.902 0.170 17690
466 1 3 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.589 -1.367 17690
467 1 3 . 1 1 20 20 ASP H H 20 8.694 8.694 9.067 -0.373 17690
468 1 3 . 1 1 21 21 LEU N N 21 129.031 129.031 123.594 5.437 17690
469 1 3 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.466 -0.197 17690
470 1 3 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.379 -0.615 17690
471 1 3 . 1 1 21 21 LEU CB C 21 45.139 45.139 45.289 -0.150 17690
472 1 3 . 1 1 21 21 LEU H H 21 9.421 9.421 8.629 0.792 17690
473 1 3 . 1 1 22 22 ARG N N 22 124.860 124.860 124.859 0.001 17690
474 1 3 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.772 0.613 17690
475 1 3 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.906 -0.503 17690
476 1 3 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.244 -0.404 17690
477 1 3 . 1 1 22 22 ARG H H 22 8.862 8.862 9.297 -0.435 17690
478 1 3 . 1 1 23 23 LEU N N 23 122.825 122.825 126.024 -3.199 17690
479 1 3 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.348 -0.079 17690
480 1 3 . 1 1 23 23 LEU CA C 23 52.166 52.166 54.053 -1.887 17690
481 1 3 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.388 0.066 17690
482 1 3 . 1 1 23 23 LEU H H 23 8.149 8.149 8.611 -0.462 17690
483 1 3 . 1 1 24 24 SER N N 24 118.505 118.505 117.881 0.624 17690
484 1 3 . 1 1 24 24 SER HA H 24 4.189 4.189 4.603 -0.414 17690
485 1 3 . 1 1 24 24 SER CA C 24 57.331 57.331 57.744 -0.413 17690
486 1 3 . 1 1 24 24 SER CB C 24 64.678 64.678 64.616 0.062 17690
487 1 3 . 1 1 24 24 SER H H 24 8.428 8.428 8.081 0.347 17690
488 1 3 . 1 1 25 25 HIS N N 25 120.283 120.283 123.273 -2.990 17690
489 1 3 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.315 0.178 17690
490 1 3 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.366 -0.373 17690
491 1 3 . 1 1 25 25 HIS CB C 25 29.806 29.806 30.132 -0.326 17690
492 1 3 . 1 1 25 25 HIS H H 25 8.280 8.280 8.935 -0.655 17690
493 1 3 . 1 1 26 26 GLU N N 26 120.235 120.235 119.291 0.944 17690
494 1 3 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.166 0.140 17690
495 1 3 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.860 -0.039 17690
496 1 3 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.477 -0.683 17690
497 1 3 . 1 1 26 26 GLU H H 26 8.605 8.605 8.860 -0.255 17690
498 1 3 . 1 1 27 27 ALA N N 27 123.290 123.290 122.738 0.552 17690
499 1 3 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.143 -0.113 17690
500 1 3 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.853 0.561 17690
501 1 3 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.463 0.215 17690
502 1 3 . 1 1 27 27 ALA H H 27 7.939 7.939 7.836 0.103 17690
503 1 3 . 1 1 28 28 LEU N N 28 116.982 116.982 118.716 -1.734 17690
504 1 3 . 1 1 28 28 LEU HA H 28 3.974 3.974 4.041 -0.067 17690
505 1 3 . 1 1 28 28 LEU CA C 28 58.076 58.076 58.102 -0.026 17690
506 1 3 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.486 -0.074 17690
507 1 3 . 1 1 28 28 LEU H H 28 8.051 8.051 7.552 0.499 17690
508 1 3 . 1 1 29 29 ARG N N 29 119.663 119.663 119.229 0.434 17690
509 1 3 . 1 1 29 29 ARG HA H 29 3.968 3.968 4.041 -0.073 17690
510 1 3 . 1 1 29 29 ARG CA C 29 59.939 59.939 60.034 -0.095 17690
511 1 3 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.970 0.261 17690
512 1 3 . 1 1 29 29 ARG H H 29 8.185 8.185 7.704 0.481 17690
513 1 3 . 1 1 30 30 GLN N N 30 116.955 116.955 119.125 -2.170 17690
514 1 3 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.131 -0.092 17690
515 1 3 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.865 0.010 17690
516 1 3 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.707 -0.659 17690
517 1 3 . 1 1 30 30 GLN H H 30 8.097 8.097 8.034 0.063 17690
518 1 3 . 1 1 31 31 ILE N N 31 121.761 121.761 121.152 0.609 17690
519 1 3 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.857 -0.182 17690
520 1 3 . 1 1 31 31 ILE CA C 31 65.204 65.204 64.606 0.598 17690
521 1 3 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.538 -0.496 17690
522 1 3 . 1 1 31 31 ILE H H 31 8.386 8.386 7.708 0.678 17690
523 1 3 . 1 1 32 32 TYR N N 32 120.917 120.917 120.900 0.017 17690
524 1 3 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.161 -0.033 17690
525 1 3 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.413 -1.442 17690
526 1 3 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.493 -0.277 17690
527 1 3 . 1 1 32 32 TYR H H 32 8.330 8.330 8.152 0.178 17690
528 1 3 . 1 1 33 33 LEU N N 33 117.824 117.824 118.436 -0.612 17690
529 1 3 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.753 0.100 17690
530 1 3 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.962 -0.364 17690
531 1 3 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.740 -0.009 17690
532 1 3 . 1 1 33 33 LEU H H 33 8.446 8.446 7.846 0.600 17690
533 1 3 . 1 1 34 34 SER N N 34 114.939 114.939 114.849 0.090 17690
534 1 3 . 1 1 34 34 SER HA H 34 4.297 4.297 4.175 0.122 17690
535 1 3 . 1 1 34 34 SER CA C 34 61.643 61.643 61.565 0.078 17690
536 1 3 . 1 1 34 34 SER CB C 34 63.560 63.560 62.309 1.251 17690
537 1 3 . 1 1 34 34 SER H H 34 8.002 8.002 8.482 -0.480 17690
538 1 3 . 1 1 35 35 GLY N N 35 110.407 110.407 110.574 -0.167 17690
539 1 3 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.488 0.195 17690
540 1 3 . 1 1 35 35 GLY H H 35 8.354 8.354 7.960 0.394 17690
541 1 3 . 1 1 36 36 LEU N N 36 121.693 121.693 123.235 -1.542 17690
542 1 3 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.011 0.002 17690
543 1 3 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.580 -0.462 17690
544 1 3 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.672 0.113 17690
545 1 3 . 1 1 36 36 LEU H H 36 8.198 8.198 7.813 0.385 17690
546 1 3 . 1 1 37 37 HIS N N 37 115.842 115.842 116.267 -0.425 17690
547 1 3 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.344 0.220 17690
548 1 3 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.397 -3.058 17690
549 1 3 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.673 -0.773 17690
550 1 3 . 1 1 37 37 HIS H H 37 7.912 7.912 7.949 -0.037 17690
551 1 3 . 1 1 38 38 SER N N 38 114.737 114.737 114.319 0.418 17690
552 1 3 . 1 1 38 38 SER HA H 38 4.342 4.342 4.166 0.176 17690
553 1 3 . 1 1 38 38 SER CA C 38 59.833 59.833 61.589 -1.756 17690
554 1 3 . 1 1 38 38 SER CB C 38 62.868 62.868 63.246 -0.378 17690
555 1 3 . 1 1 38 38 SER H H 38 7.871 7.871 7.478 0.393 17690
556 1 3 . 1 1 39 39 TRP N N 39 122.888 122.888 119.433 3.455 17690
557 1 3 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.412 0.080 17690
558 1 3 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.798 0.118 17690
559 1 3 . 1 1 39 39 TRP CB C 39 29.220 29.220 29.833 -0.613 17690
560 1 3 . 1 1 39 39 TRP H H 39 7.968 7.968 7.479 0.489 17690
561 1 3 . 1 1 40 40 LYS N N 40 120.822 120.822 120.084 0.738 17690
562 1 3 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.307 -0.037 17690
563 1 3 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.158 0.055 17690
564 1 3 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.170 -0.600 17690
565 1 3 . 1 1 40 40 LYS H H 40 7.775 7.775 7.416 0.359 17690
566 1 3 . 1 1 41 41 LYS N N 41 123.403 123.403 124.374 -0.971 17690
567 1 3 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.339 -0.140 17690
568 1 3 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.251 0.654 17690
569 1 3 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.980 -0.783 17690
570 1 3 . 1 1 41 41 LYS H H 41 8.087 8.087 8.478 -0.391 17690
571 1 4 . 1 1 2 2 ALA N N 2 127.360 127.360 126.587 0.773 17690
572 1 4 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.549 -0.220 17690
573 1 4 . 1 1 2 2 ALA CA C 2 52.379 52.379 51.767 0.613 17690
574 1 4 . 1 1 2 2 ALA CB C 2 19.051 19.051 20.498 -1.447 17690
575 1 4 . 1 1 2 2 ALA H H 2 8.637 8.637 8.388 0.249 17690
576 1 4 . 1 1 3 3 GLU N N 3 121.660 121.660 122.630 -0.970 17690
577 1 4 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.028 0.189 17690
578 1 4 . 1 1 3 3 GLU CA C 3 56.479 56.479 59.446 -2.967 17690
579 1 4 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.412 0.607 17690
580 1 4 . 1 1 3 3 GLU H H 3 8.421 8.421 8.875 -0.454 17690
581 1 4 . 1 1 4 4 ALA N N 4 125.777 125.777 122.056 3.721 17690
582 1 4 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.171 0.091 17690
583 1 4 . 1 1 4 4 ALA CA C 4 52.220 52.220 54.482 -2.262 17690
584 1 4 . 1 1 4 4 ALA CB C 4 19.104 19.104 17.802 1.302 17690
585 1 4 . 1 1 4 4 ALA H H 4 8.306 8.306 8.395 -0.089 17690
586 1 4 . 1 1 5 5 HIS N N 5 118.168 118.168 117.613 0.555 17690
587 1 4 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.362 0.344 17690
588 1 4 . 1 1 5 5 HIS CA C 5 54.669 54.669 59.268 -4.599 17690
589 1 4 . 1 1 5 5 HIS CB C 5 28.847 28.847 29.890 -1.043 17690
590 1 4 . 1 1 5 5 HIS H H 5 8.431 8.431 7.772 0.659 17690
591 1 4 . 1 1 6 6 GLN N N 6 122.323 122.323 118.387 3.936 17690
592 1 4 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.506 -0.167 17690
593 1 4 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.792 -0.058 17690
594 1 4 . 1 1 6 6 GLN CB C 6 29.593 29.593 27.841 1.752 17690
595 1 4 . 1 1 6 6 GLN H H 6 8.337 8.337 7.695 0.642 17690
596 1 4 . 1 1 7 7 ALA N N 7 126.205 126.205 122.703 3.502 17690
597 1 4 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.168 0.181 17690
598 1 4 . 1 1 7 7 ALA CA C 7 52.060 52.060 54.125 -2.065 17690
599 1 4 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.391 -0.127 17690
600 1 4 . 1 1 7 7 ALA H H 7 8.374 8.374 7.537 0.837 17690
601 1 4 . 1 1 8 8 VAL N N 8 121.228 121.228 118.283 2.945 17690
602 1 4 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.193 -0.228 17690
603 1 4 . 1 1 8 8 VAL CA C 8 62.176 62.176 62.121 0.055 17690
604 1 4 . 1 1 8 8 VAL CB C 8 32.308 32.308 32.426 -0.118 17690
605 1 4 . 1 1 8 8 VAL H H 8 8.200 8.200 7.768 0.432 17690
606 1 4 . 1 1 9 9 ALA N N 9 128.767 128.767 128.689 0.078 17690
607 1 4 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.590 -0.178 17690
608 1 4 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.196 1.142 17690
609 1 4 . 1 1 9 9 ALA CB C 9 20.225 20.225 20.783 -0.558 17690
610 1 4 . 1 1 9 9 ALA H H 9 8.324 8.324 8.554 -0.230 17690
611 1 4 . 1 1 10 10 PHE N N 10 115.148 115.148 118.753 -3.605 17690
612 1 4 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.748 -0.363 17690
613 1 4 . 1 1 10 10 PHE CA C 10 55.893 55.893 54.806 1.087 17690
614 1 4 . 1 1 10 10 PHE CB C 10 41.944 41.944 41.299 0.645 17690
615 1 4 . 1 1 10 10 PHE H H 10 7.578 7.578 7.671 -0.093 17690
616 1 4 . 1 1 11 11 GLN N N 11 123.516 123.516 126.121 -2.605 17690
617 1 4 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.455 -0.001 17690
618 1 4 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.027 1.281 17690
619 1 4 . 1 1 11 11 GLN CB C 11 31.771 31.771 32.942 -1.171 17690
620 1 4 . 1 1 11 11 GLN H H 11 8.653 8.653 9.320 -0.667 17690
621 1 4 . 1 1 12 12 PHE N N 12 126.845 126.845 125.901 0.944 17690
622 1 4 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.627 -0.046 17690
623 1 4 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.496 0.823 17690
624 1 4 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.585 0.732 17690
625 1 4 . 1 1 12 12 PHE H H 12 8.769 8.769 8.515 0.254 17690
626 1 4 . 1 1 13 13 THR N N 13 122.078 122.078 123.791 -1.713 17690
627 1 4 . 1 1 13 13 THR HA H 13 4.492 4.492 4.386 0.106 17690
628 1 4 . 1 1 13 13 THR CA C 13 61.111 61.111 61.212 -0.101 17690
629 1 4 . 1 1 13 13 THR CB C 13 71.757 71.757 72.087 -0.330 17690
630 1 4 . 1 1 13 13 THR H H 13 8.724 8.724 9.306 -0.582 17690
631 1 4 . 1 1 14 14 VAL N N 14 125.702 125.702 126.756 -1.054 17690
632 1 4 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.487 0.005 17690
633 1 4 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.776 -0.878 17690
634 1 4 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.570 -0.049 17690
635 1 4 . 1 1 14 14 VAL H H 14 8.573 8.573 8.465 0.108 17690
636 1 4 . 1 1 15 15 THR N N 15 121.390 121.390 122.451 -1.061 17690
637 1 4 . 1 1 15 15 THR CA C 15 58.895 58.895 58.778 0.117 17690
638 1 4 . 1 1 15 15 THR CB C 15 68.453 68.453 70.895 -2.442 17690
639 1 4 . 1 1 15 15 THR H H 15 8.888 8.888 8.889 -0.001 17690
640 1 4 . 1 1 17 17 ASP N N 17 111.883 111.883 116.903 -5.020 17690
641 1 4 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.572 0.206 17690
642 1 4 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.821 -0.631 17690
643 1 4 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.551 0.176 17690
644 1 4 . 1 1 17 17 ASP H H 17 7.742 7.742 8.003 -0.261 17690
645 1 4 . 1 1 18 18 GLY N N 18 110.771 110.771 106.663 4.108 17690
646 1 4 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.164 0.560 17690
647 1 4 . 1 1 18 18 GLY H H 18 7.461 7.461 7.861 -0.400 17690
648 1 4 . 1 1 19 19 ILE N N 19 115.499 115.499 117.147 -1.648 17690
649 1 4 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.404 -0.216 17690
650 1 4 . 1 1 19 19 ILE CA C 19 57.857 57.857 58.888 -1.031 17690
651 1 4 . 1 1 19 19 ILE CB C 19 42.211 42.211 41.997 0.214 17690
652 1 4 . 1 1 19 19 ILE H H 19 8.631 8.631 8.271 0.360 17690
653 1 4 . 1 1 20 20 ASP N N 20 123.215 123.215 123.836 -0.621 17690
654 1 4 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.134 0.313 17690
655 1 4 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.320 -0.248 17690
656 1 4 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.658 -1.436 17690
657 1 4 . 1 1 20 20 ASP H H 20 8.694 8.694 9.125 -0.431 17690
658 1 4 . 1 1 21 21 LEU N N 21 129.031 129.031 122.637 6.394 17690
659 1 4 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.492 -0.223 17690
660 1 4 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.477 -0.713 17690
661 1 4 . 1 1 21 21 LEU CB C 21 45.139 45.139 45.081 0.058 17690
662 1 4 . 1 1 21 21 LEU H H 21 9.421 9.421 8.666 0.754 17690
663 1 4 . 1 1 22 22 ARG N N 22 124.860 124.860 125.529 -0.669 17690
664 1 4 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.888 0.497 17690
665 1 4 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.828 -0.425 17690
666 1 4 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.399 -0.559 17690
667 1 4 . 1 1 22 22 ARG H H 22 8.862 8.862 9.249 -0.387 17690
668 1 4 . 1 1 23 23 LEU N N 23 122.825 122.825 126.051 -3.226 17690
669 1 4 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.316 -0.047 17690
670 1 4 . 1 1 23 23 LEU CA C 23 52.166 52.166 54.133 -1.968 17690
671 1 4 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.442 0.012 17690
672 1 4 . 1 1 23 23 LEU H H 23 8.149 8.149 8.612 -0.463 17690
673 1 4 . 1 1 24 24 SER N N 24 118.505 118.505 117.957 0.548 17690
674 1 4 . 1 1 24 24 SER HA H 24 4.189 4.189 4.574 -0.385 17690
675 1 4 . 1 1 24 24 SER CA C 24 57.331 57.331 57.789 -0.458 17690
676 1 4 . 1 1 24 24 SER CB C 24 64.678 64.678 64.567 0.111 17690
677 1 4 . 1 1 24 24 SER H H 24 8.428 8.428 8.426 0.002 17690
678 1 4 . 1 1 25 25 HIS N N 25 120.283 120.283 123.291 -3.008 17690
679 1 4 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.297 0.196 17690
680 1 4 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.148 -0.155 17690
681 1 4 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.902 -0.096 17690
682 1 4 . 1 1 25 25 HIS H H 25 8.280 8.280 8.881 -0.601 17690
683 1 4 . 1 1 26 26 GLU N N 26 120.235 120.235 119.094 1.141 17690
684 1 4 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.159 0.147 17690
685 1 4 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.834 -0.013 17690
686 1 4 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.290 -0.496 17690
687 1 4 . 1 1 26 26 GLU H H 26 8.605 8.605 8.894 -0.289 17690
688 1 4 . 1 1 27 27 ALA N N 27 123.290 123.290 122.451 0.839 17690
689 1 4 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.132 -0.102 17690
690 1 4 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.863 0.551 17690
691 1 4 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.397 0.281 17690
692 1 4 . 1 1 27 27 ALA H H 27 7.939 7.939 7.774 0.165 17690
693 1 4 . 1 1 28 28 LEU N N 28 116.982 116.982 118.416 -1.434 17690
694 1 4 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.951 0.023 17690
695 1 4 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.716 0.360 17690
696 1 4 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.565 -0.153 17690
697 1 4 . 1 1 28 28 LEU H H 28 8.051 8.051 7.569 0.482 17690
698 1 4 . 1 1 29 29 ARG N N 29 119.663 119.663 119.128 0.535 17690
699 1 4 . 1 1 29 29 ARG HA H 29 3.968 3.968 4.049 -0.081 17690
700 1 4 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.997 -0.058 17690
701 1 4 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.974 0.257 17690
702 1 4 . 1 1 29 29 ARG H H 29 8.185 8.185 7.685 0.500 17690
703 1 4 . 1 1 30 30 GLN N N 30 116.955 116.955 119.125 -2.170 17690
704 1 4 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.126 -0.087 17690
705 1 4 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.841 0.034 17690
706 1 4 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.755 -0.706 17690
707 1 4 . 1 1 30 30 GLN H H 30 8.097 8.097 7.735 0.362 17690
708 1 4 . 1 1 31 31 ILE N N 31 121.761 121.761 121.403 0.358 17690
709 1 4 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.755 -0.080 17690
710 1 4 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.308 -0.104 17690
711 1 4 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.177 -1.135 17690
712 1 4 . 1 1 31 31 ILE H H 31 8.386 8.386 7.708 0.678 17690
713 1 4 . 1 1 32 32 TYR N N 32 120.917 120.917 120.367 0.550 17690
714 1 4 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.157 -0.029 17690
715 1 4 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.334 -1.363 17690
716 1 4 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.683 -0.466 17690
717 1 4 . 1 1 32 32 TYR H H 32 8.330 8.330 8.078 0.252 17690
718 1 4 . 1 1 33 33 LEU N N 33 117.824 117.824 118.516 -0.692 17690
719 1 4 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.792 0.061 17690
720 1 4 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.979 -0.382 17690
721 1 4 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.762 -0.031 17690
722 1 4 . 1 1 33 33 LEU H H 33 8.446 8.446 7.901 0.545 17690
723 1 4 . 1 1 34 34 SER N N 34 114.939 114.939 114.369 0.570 17690
724 1 4 . 1 1 34 34 SER HA H 34 4.297 4.297 4.085 0.212 17690
725 1 4 . 1 1 34 34 SER CA C 34 61.643 61.643 61.213 0.430 17690
726 1 4 . 1 1 34 34 SER CB C 34 63.560 63.560 62.721 0.839 17690
727 1 4 . 1 1 34 34 SER H H 34 8.002 8.002 8.498 -0.496 17690
728 1 4 . 1 1 35 35 GLY N N 35 110.407 110.407 110.416 -0.009 17690
729 1 4 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.470 0.213 17690
730 1 4 . 1 1 35 35 GLY H H 35 8.354 8.354 7.852 0.502 17690
731 1 4 . 1 1 36 36 LEU N N 36 121.693 121.693 123.096 -1.403 17690
732 1 4 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.136 -0.123 17690
733 1 4 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.431 -0.313 17690
734 1 4 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.625 0.160 17690
735 1 4 . 1 1 36 36 LEU H H 36 8.198 8.198 7.956 0.242 17690
736 1 4 . 1 1 37 37 HIS N N 37 115.842 115.842 116.211 -0.369 17690
737 1 4 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.351 0.213 17690
738 1 4 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.295 -2.956 17690
739 1 4 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.638 -0.738 17690
740 1 4 . 1 1 37 37 HIS H H 37 7.912 7.912 8.137 -0.225 17690
741 1 4 . 1 1 38 38 SER N N 38 114.737 114.737 114.204 0.533 17690
742 1 4 . 1 1 38 38 SER HA H 38 4.342 4.342 4.195 0.147 17690
743 1 4 . 1 1 38 38 SER CA C 38 59.833 59.833 60.994 -1.161 17690
744 1 4 . 1 1 38 38 SER CB C 38 62.868 62.868 62.931 -0.063 17690
745 1 4 . 1 1 38 38 SER H H 38 7.871 7.871 7.489 0.382 17690
746 1 4 . 1 1 39 39 TRP N N 39 122.888 122.888 120.049 2.839 17690
747 1 4 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.477 0.015 17690
748 1 4 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.404 -0.488 17690
749 1 4 . 1 1 39 39 TRP CB C 39 29.220 29.220 29.572 -0.352 17690
750 1 4 . 1 1 39 39 TRP H H 39 7.968 7.968 7.429 0.539 17690
751 1 4 . 1 1 40 40 LYS N N 40 120.822 120.822 118.176 2.646 17690
752 1 4 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.352 -0.082 17690
753 1 4 . 1 1 40 40 LYS CA C 40 56.213 56.213 55.880 0.333 17690
754 1 4 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.018 -0.448 17690
755 1 4 . 1 1 40 40 LYS H H 40 7.775 7.775 7.443 0.332 17690
756 1 4 . 1 1 41 41 LYS N N 41 123.403 123.403 123.306 0.097 17690
757 1 4 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.164 0.035 17690
758 1 4 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.877 0.028 17690
759 1 4 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.848 -0.651 17690
760 1 4 . 1 1 41 41 LYS H H 41 8.087 8.087 8.439 -0.352 17690
761 1 5 . 1 1 2 2 ALA N N 2 127.360 127.360 122.891 4.469 17690
762 1 5 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.771 -0.442 17690
763 1 5 . 1 1 2 2 ALA CA C 2 52.379 52.379 51.951 0.428 17690
764 1 5 . 1 1 2 2 ALA CB C 2 19.051 19.051 21.110 -2.059 17690
765 1 5 . 1 1 2 2 ALA H H 2 8.637 8.637 8.548 0.089 17690
766 1 5 . 1 1 3 3 GLU N N 3 121.660 121.660 122.318 -0.658 17690
767 1 5 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.056 0.161 17690
768 1 5 . 1 1 3 3 GLU CA C 3 56.479 56.479 58.518 -2.039 17690
769 1 5 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.693 0.326 17690
770 1 5 . 1 1 3 3 GLU H H 3 8.421 8.421 8.967 -0.546 17690
771 1 5 . 1 1 4 4 ALA N N 4 125.777 125.777 122.901 2.876 17690
772 1 5 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.084 0.178 17690
773 1 5 . 1 1 4 4 ALA CA C 4 52.220 52.220 54.750 -2.530 17690
774 1 5 . 1 1 4 4 ALA CB C 4 19.104 19.104 17.748 1.356 17690
775 1 5 . 1 1 4 4 ALA H H 4 8.306 8.306 8.399 -0.093 17690
776 1 5 . 1 1 5 5 HIS N N 5 118.168 118.168 116.521 1.647 17690
777 1 5 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.343 0.363 17690
778 1 5 . 1 1 5 5 HIS CA C 5 54.669 54.669 59.522 -4.853 17690
779 1 5 . 1 1 5 5 HIS CB C 5 28.847 28.847 29.529 -0.682 17690
780 1 5 . 1 1 5 5 HIS H H 5 8.431 8.431 7.479 0.952 17690
781 1 5 . 1 1 6 6 GLN N N 6 122.323 122.323 117.777 4.546 17690
782 1 5 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.196 0.143 17690
783 1 5 . 1 1 6 6 GLN CA C 6 55.734 55.734 57.922 -2.188 17690
784 1 5 . 1 1 6 6 GLN CB C 6 29.593 29.593 28.947 0.646 17690
785 1 5 . 1 1 6 6 GLN H H 6 8.337 8.337 7.485 0.852 17690
786 1 5 . 1 1 7 7 ALA N N 7 126.205 126.205 121.376 4.829 17690
787 1 5 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.242 0.107 17690
788 1 5 . 1 1 7 7 ALA CA C 7 52.060 52.060 54.199 -2.139 17690
789 1 5 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.670 -0.406 17690
790 1 5 . 1 1 7 7 ALA H H 7 8.374 8.374 7.998 0.376 17690
791 1 5 . 1 1 8 8 VAL N N 8 121.228 121.228 113.484 7.744 17690
792 1 5 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.443 -0.478 17690
793 1 5 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.226 0.950 17690
794 1 5 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.758 -1.450 17690
795 1 5 . 1 1 8 8 VAL H H 8 8.200 8.200 7.506 0.694 17690
796 1 5 . 1 1 9 9 ALA N N 9 128.767 128.767 127.460 1.307 17690
797 1 5 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.635 -0.223 17690
798 1 5 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.554 0.784 17690
799 1 5 . 1 1 9 9 ALA CB C 9 20.225 20.225 20.574 -0.349 17690
800 1 5 . 1 1 9 9 ALA H H 9 8.324 8.324 8.827 -0.503 17690
801 1 5 . 1 1 10 10 PHE N N 10 115.148 115.148 114.804 0.344 17690
802 1 5 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.793 -0.408 17690
803 1 5 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.941 1.952 17690
804 1 5 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.815 1.129 17690
805 1 5 . 1 1 10 10 PHE H H 10 7.578 7.578 7.812 -0.234 17690
806 1 5 . 1 1 11 11 GLN N N 11 123.516 123.516 123.534 -0.018 17690
807 1 5 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.549 -0.095 17690
808 1 5 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.153 1.155 17690
809 1 5 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.248 -1.477 17690
810 1 5 . 1 1 11 11 GLN H H 11 8.653 8.653 9.028 -0.376 17690
811 1 5 . 1 1 12 12 PHE N N 12 126.845 126.845 127.387 -0.542 17690
812 1 5 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.661 -0.080 17690
813 1 5 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.177 1.142 17690
814 1 5 . 1 1 12 12 PHE CB C 12 42.317 42.317 40.996 1.321 17690
815 1 5 . 1 1 12 12 PHE H H 12 8.769 8.769 8.641 0.128 17690
816 1 5 . 1 1 13 13 THR N N 13 122.078 122.078 124.174 -2.096 17690
817 1 5 . 1 1 13 13 THR HA H 13 4.492 4.492 4.387 0.105 17690
818 1 5 . 1 1 13 13 THR CA C 13 61.111 61.111 60.877 0.234 17690
819 1 5 . 1 1 13 13 THR CB C 13 71.757 71.757 71.589 0.168 17690
820 1 5 . 1 1 13 13 THR H H 13 8.724 8.724 9.158 -0.434 17690
821 1 5 . 1 1 14 14 VAL N N 14 125.702 125.702 127.639 -1.937 17690
822 1 5 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.588 -0.096 17690
823 1 5 . 1 1 14 14 VAL CA C 14 60.898 60.898 60.735 0.163 17690
824 1 5 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.888 -0.367 17690
825 1 5 . 1 1 14 14 VAL H H 14 8.573 8.573 8.407 0.166 17690
826 1 5 . 1 1 15 15 THR N N 15 121.390 121.390 121.932 -0.542 17690
827 1 5 . 1 1 15 15 THR CA C 15 58.895 58.895 58.753 0.142 17690
828 1 5 . 1 1 15 15 THR CB C 15 68.453 68.453 69.659 -1.206 17690
829 1 5 . 1 1 15 15 THR H H 15 8.888 8.888 8.923 -0.035 17690
830 1 5 . 1 1 17 17 ASP N N 17 111.883 111.883 116.516 -4.633 17690
831 1 5 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.568 0.210 17690
832 1 5 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.487 -0.297 17690
833 1 5 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.088 0.639 17690
834 1 5 . 1 1 17 17 ASP H H 17 7.742 7.742 8.378 -0.636 17690
835 1 5 . 1 1 18 18 GLY N N 18 110.771 110.771 106.959 3.812 17690
836 1 5 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.087 0.637 17690
837 1 5 . 1 1 18 18 GLY H H 18 7.461 7.461 7.995 -0.534 17690
838 1 5 . 1 1 19 19 ILE N N 19 115.499 115.499 116.371 -0.872 17690
839 1 5 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.303 -0.115 17690
840 1 5 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.346 -1.489 17690
841 1 5 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.082 0.129 17690
842 1 5 . 1 1 19 19 ILE H H 19 8.631 8.631 8.197 0.434 17690
843 1 5 . 1 1 20 20 ASP N N 20 123.215 123.215 124.333 -1.118 17690
844 1 5 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.122 0.325 17690
845 1 5 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.158 -0.086 17690
846 1 5 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.057 -0.835 17690
847 1 5 . 1 1 20 20 ASP H H 20 8.694 8.694 9.052 -0.358 17690
848 1 5 . 1 1 21 21 LEU N N 21 129.031 129.031 122.704 6.327 17690
849 1 5 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.233 0.036 17690
850 1 5 . 1 1 21 21 LEU CA C 21 53.764 53.764 53.974 -0.210 17690
851 1 5 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.442 0.697 17690
852 1 5 . 1 1 21 21 LEU H H 21 9.421 9.421 8.643 0.778 17690
853 1 5 . 1 1 22 22 ARG N N 22 124.860 124.860 124.510 0.350 17690
854 1 5 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.824 0.561 17690
855 1 5 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.940 -0.537 17690
856 1 5 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.075 -0.235 17690
857 1 5 . 1 1 22 22 ARG H H 22 8.862 8.862 9.113 -0.251 17690
858 1 5 . 1 1 23 23 LEU N N 23 122.825 122.825 123.410 -0.585 17690
859 1 5 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.300 -0.031 17690
860 1 5 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.821 -1.655 17690
861 1 5 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.452 0.002 17690
862 1 5 . 1 1 23 23 LEU H H 23 8.149 8.149 8.520 -0.371 17690
863 1 5 . 1 1 24 24 SER N N 24 118.505 118.505 117.699 0.806 17690
864 1 5 . 1 1 24 24 SER HA H 24 4.189 4.189 4.466 -0.277 17690
865 1 5 . 1 1 24 24 SER CA C 24 57.331 57.331 57.510 -0.179 17690
866 1 5 . 1 1 24 24 SER CB C 24 64.678 64.678 65.136 -0.458 17690
867 1 5 . 1 1 24 24 SER H H 24 8.428 8.428 8.595 -0.167 17690
868 1 5 . 1 1 25 25 HIS N N 25 120.283 120.283 122.154 -1.871 17690
869 1 5 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.277 0.216 17690
870 1 5 . 1 1 25 25 HIS CA C 25 59.993 59.993 59.881 0.112 17690
871 1 5 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.656 0.150 17690
872 1 5 . 1 1 25 25 HIS H H 25 8.280 8.280 8.795 -0.515 17690
873 1 5 . 1 1 26 26 GLU N N 26 120.235 120.235 119.503 0.732 17690
874 1 5 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.144 0.162 17690
875 1 5 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.906 -0.085 17690
876 1 5 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.345 -0.551 17690
877 1 5 . 1 1 26 26 GLU H H 26 8.605 8.605 8.738 -0.133 17690
878 1 5 . 1 1 27 27 ALA N N 27 123.290 123.290 122.418 0.872 17690
879 1 5 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.126 -0.096 17690
880 1 5 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.953 0.461 17690
881 1 5 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.276 0.402 17690
882 1 5 . 1 1 27 27 ALA H H 27 7.939 7.939 7.731 0.208 17690
883 1 5 . 1 1 28 28 LEU N N 28 116.982 116.982 119.073 -2.091 17690
884 1 5 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.990 -0.016 17690
885 1 5 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.698 0.378 17690
886 1 5 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.529 -0.117 17690
887 1 5 . 1 1 28 28 LEU H H 28 8.051 8.051 7.613 0.438 17690
888 1 5 . 1 1 29 29 ARG N N 29 119.663 119.663 119.639 0.024 17690
889 1 5 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.991 -0.023 17690
890 1 5 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.746 0.193 17690
891 1 5 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.022 0.209 17690
892 1 5 . 1 1 29 29 ARG H H 29 8.185 8.185 7.666 0.519 17690
893 1 5 . 1 1 30 30 GLN N N 30 116.955 116.955 118.267 -1.312 17690
894 1 5 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.166 -0.127 17690
895 1 5 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.457 0.418 17690
896 1 5 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.573 -0.524 17690
897 1 5 . 1 1 30 30 GLN H H 30 8.097 8.097 7.721 0.376 17690
898 1 5 . 1 1 31 31 ILE N N 31 121.761 121.761 121.610 0.151 17690
899 1 5 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.760 -0.085 17690
900 1 5 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.274 -0.070 17690
901 1 5 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.151 -1.109 17690
902 1 5 . 1 1 31 31 ILE H H 31 8.386 8.386 7.984 0.403 17690
903 1 5 . 1 1 32 32 TYR N N 32 120.917 120.917 120.312 0.605 17690
904 1 5 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.096 0.032 17690
905 1 5 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.506 -1.535 17690
906 1 5 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.626 -0.409 17690
907 1 5 . 1 1 32 32 TYR H H 32 8.330 8.330 8.416 -0.086 17690
908 1 5 . 1 1 33 33 LEU N N 33 117.824 117.824 118.663 -0.839 17690
909 1 5 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.808 0.045 17690
910 1 5 . 1 1 33 33 LEU CA C 33 57.597 57.597 58.052 -0.455 17690
911 1 5 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.709 0.022 17690
912 1 5 . 1 1 33 33 LEU H H 33 8.446 8.446 7.884 0.562 17690
913 1 5 . 1 1 34 34 SER N N 34 114.939 114.939 115.134 -0.195 17690
914 1 5 . 1 1 34 34 SER HA H 34 4.297 4.297 4.238 0.059 17690
915 1 5 . 1 1 34 34 SER CA C 34 61.643 61.643 61.440 0.203 17690
916 1 5 . 1 1 34 34 SER CB C 34 63.560 63.560 62.043 1.517 17690
917 1 5 . 1 1 34 34 SER H H 34 8.002 8.002 8.590 -0.588 17690
918 1 5 . 1 1 35 35 GLY N N 35 110.407 110.407 110.440 -0.033 17690
919 1 5 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.621 0.062 17690
920 1 5 . 1 1 35 35 GLY H H 35 8.354 8.354 8.097 0.257 17690
921 1 5 . 1 1 36 36 LEU N N 36 121.693 121.693 123.238 -1.545 17690
922 1 5 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.851 0.162 17690
923 1 5 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.295 -0.177 17690
924 1 5 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.507 0.278 17690
925 1 5 . 1 1 36 36 LEU H H 36 8.198 8.198 7.954 0.244 17690
926 1 5 . 1 1 37 37 HIS N N 37 115.842 115.842 116.115 -0.273 17690
927 1 5 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.371 0.193 17690
928 1 5 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.489 -3.150 17690
929 1 5 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.581 -0.681 17690
930 1 5 . 1 1 37 37 HIS H H 37 7.912 7.912 8.212 -0.300 17690
931 1 5 . 1 1 38 38 SER N N 38 114.737 114.737 114.968 -0.231 17690
932 1 5 . 1 1 38 38 SER HA H 38 4.342 4.342 4.222 0.120 17690
933 1 5 . 1 1 38 38 SER CA C 38 59.833 59.833 61.369 -1.536 17690
934 1 5 . 1 1 38 38 SER CB C 38 62.868 62.868 63.264 -0.396 17690
935 1 5 . 1 1 38 38 SER H H 38 7.871 7.871 7.697 0.174 17690
936 1 5 . 1 1 39 39 TRP N N 39 122.888 122.888 120.724 2.164 17690
937 1 5 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.414 0.078 17690
938 1 5 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.567 -0.651 17690
939 1 5 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.164 -0.944 17690
940 1 5 . 1 1 39 39 TRP H H 39 7.968 7.968 7.770 0.198 17690
941 1 5 . 1 1 40 40 LYS N N 40 120.822 120.822 116.859 3.963 17690
942 1 5 . 1 1 40 40 LYS HA H 40 4.270 4.270 3.862 0.408 17690
943 1 5 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.710 -0.497 17690
944 1 5 . 1 1 40 40 LYS CB C 40 32.570 32.570 29.315 3.255 17690
945 1 5 . 1 1 40 40 LYS H H 40 7.775 7.775 7.462 0.313 17690
946 1 5 . 1 1 41 41 LYS N N 41 123.403 123.403 121.317 2.086 17690
947 1 5 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.340 -0.141 17690
948 1 5 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.919 -0.014 17690
949 1 5 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.339 -1.142 17690
950 1 5 . 1 1 41 41 LYS H H 41 8.087 8.087 7.998 0.089 17690
951 1 6 . 1 1 2 2 ALA N N 2 127.360 127.360 124.888 2.472 17690
952 1 6 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.528 -0.199 17690
953 1 6 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.143 0.236 17690
954 1 6 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.463 -0.412 17690
955 1 6 . 1 1 2 2 ALA H H 2 8.637 8.637 7.894 0.743 17690
956 1 6 . 1 1 3 3 GLU N N 3 121.660 121.660 118.458 3.202 17690
957 1 6 . 1 1 3 3 GLU HA H 3 4.217 4.217 3.950 0.267 17690
958 1 6 . 1 1 3 3 GLU CA C 3 56.479 56.479 57.015 -0.536 17690
959 1 6 . 1 1 3 3 GLU CB C 3 30.019 30.019 28.203 1.816 17690
960 1 6 . 1 1 3 3 GLU H H 3 8.421 8.421 8.834 -0.413 17690
961 1 6 . 1 1 4 4 ALA N N 4 125.777 125.777 121.458 4.319 17690
962 1 6 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.591 -0.329 17690
963 1 6 . 1 1 4 4 ALA CA C 4 52.220 52.220 51.880 0.340 17690
964 1 6 . 1 1 4 4 ALA CB C 4 19.104 19.104 20.733 -1.629 17690
965 1 6 . 1 1 4 4 ALA H H 4 8.306 8.306 7.767 0.539 17690
966 1 6 . 1 1 5 5 HIS N N 5 118.168 118.168 120.967 -2.799 17690
967 1 6 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.735 -0.029 17690
968 1 6 . 1 1 5 5 HIS CA C 5 54.669 54.669 56.663 -1.994 17690
969 1 6 . 1 1 5 5 HIS CB C 5 28.847 28.847 31.603 -2.756 17690
970 1 6 . 1 1 5 5 HIS H H 5 8.431 8.431 8.497 -0.066 17690
971 1 6 . 1 1 6 6 GLN N N 6 122.323 122.323 125.518 -3.195 17690
972 1 6 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.486 -0.147 17690
973 1 6 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.618 0.116 17690
974 1 6 . 1 1 6 6 GLN CB C 6 29.593 29.593 28.715 0.878 17690
975 1 6 . 1 1 6 6 GLN H H 6 8.337 8.337 8.231 0.106 17690
976 1 6 . 1 1 7 7 ALA N N 7 126.205 126.205 126.051 0.154 17690
977 1 6 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.463 -0.114 17690
978 1 6 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.931 0.129 17690
979 1 6 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.227 -0.963 17690
980 1 6 . 1 1 7 7 ALA H H 7 8.374 8.374 8.152 0.222 17690
981 1 6 . 1 1 8 8 VAL N N 8 121.228 121.228 120.319 0.909 17690
982 1 6 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.383 -0.418 17690
983 1 6 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.586 0.590 17690
984 1 6 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.585 -2.277 17690
985 1 6 . 1 1 8 8 VAL H H 8 8.200 8.200 8.370 -0.170 17690
986 1 6 . 1 1 9 9 ALA N N 9 128.767 128.767 130.813 -2.046 17690
987 1 6 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.259 0.153 17690
988 1 6 . 1 1 9 9 ALA CA C 9 53.338 53.338 54.087 -0.749 17690
989 1 6 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.638 0.587 17690
990 1 6 . 1 1 9 9 ALA H H 9 8.324 8.324 8.644 -0.320 17690
991 1 6 . 1 1 10 10 PHE N N 10 115.148 115.148 118.048 -2.900 17690
992 1 6 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.570 -0.185 17690
993 1 6 . 1 1 10 10 PHE CA C 10 55.893 55.893 55.368 0.525 17690
994 1 6 . 1 1 10 10 PHE CB C 10 41.944 41.944 41.574 0.370 17690
995 1 6 . 1 1 10 10 PHE H H 10 7.578 7.578 7.731 -0.153 17690
996 1 6 . 1 1 11 11 GLN N N 11 123.516 123.516 127.102 -3.586 17690
997 1 6 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.513 -0.059 17690
998 1 6 . 1 1 11 11 GLN CA C 11 55.308 55.308 53.929 1.379 17690
999 1 6 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.339 -1.568 17690
1000 1 6 . 1 1 11 11 GLN H H 11 8.653 8.653 9.474 -0.821 17690
1001 1 6 . 1 1 12 12 PHE N N 12 126.845 126.845 127.263 -0.418 17690
1002 1 6 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.796 -0.215 17690
1003 1 6 . 1 1 12 12 PHE CA C 12 56.319 56.319 54.947 1.372 17690
1004 1 6 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.300 1.017 17690
1005 1 6 . 1 1 12 12 PHE H H 12 8.769 8.769 8.570 0.199 17690
1006 1 6 . 1 1 13 13 THR N N 13 122.078 122.078 123.909 -1.831 17690
1007 1 6 . 1 1 13 13 THR HA H 13 4.492 4.492 4.380 0.112 17690
1008 1 6 . 1 1 13 13 THR CA C 13 61.111 61.111 60.995 0.116 17690
1009 1 6 . 1 1 13 13 THR CB C 13 71.757 71.757 71.839 -0.082 17690
1010 1 6 . 1 1 13 13 THR H H 13 8.724 8.724 9.232 -0.508 17690
1011 1 6 . 1 1 14 14 VAL N N 14 125.702 125.702 127.259 -1.557 17690
1012 1 6 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.599 -0.107 17690
1013 1 6 . 1 1 14 14 VAL CA C 14 60.898 60.898 60.674 0.224 17690
1014 1 6 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.862 -0.341 17690
1015 1 6 . 1 1 14 14 VAL H H 14 8.573 8.573 8.443 0.130 17690
1016 1 6 . 1 1 15 15 THR N N 15 121.390 121.390 122.416 -1.026 17690
1017 1 6 . 1 1 15 15 THR CA C 15 58.895 58.895 58.813 0.082 17690
1018 1 6 . 1 1 15 15 THR CB C 15 68.453 68.453 69.136 -0.683 17690
1019 1 6 . 1 1 15 15 THR H H 15 8.888 8.888 8.869 0.019 17690
1020 1 6 . 1 1 17 17 ASP N N 17 111.883 111.883 114.859 -2.976 17690
1021 1 6 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.617 0.161 17690
1022 1 6 . 1 1 17 17 ASP CA C 17 54.190 54.190 53.851 0.339 17690
1023 1 6 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.035 0.692 17690
1024 1 6 . 1 1 17 17 ASP H H 17 7.742 7.742 8.376 -0.634 17690
1025 1 6 . 1 1 18 18 GLY N N 18 110.771 110.771 107.921 2.850 17690
1026 1 6 . 1 1 18 18 GLY CA C 18 45.724 45.724 44.967 0.757 17690
1027 1 6 . 1 1 18 18 GLY H H 18 7.461 7.461 7.827 -0.366 17690
1028 1 6 . 1 1 19 19 ILE N N 19 115.499 115.499 116.508 -1.009 17690
1029 1 6 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.288 -0.100 17690
1030 1 6 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.380 -1.523 17690
1031 1 6 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.030 0.181 17690
1032 1 6 . 1 1 19 19 ILE H H 19 8.631 8.631 8.235 0.396 17690
1033 1 6 . 1 1 20 20 ASP N N 20 123.215 123.215 124.409 -1.194 17690
1034 1 6 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.156 0.291 17690
1035 1 6 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.300 -0.228 17690
1036 1 6 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.377 -1.155 17690
1037 1 6 . 1 1 20 20 ASP H H 20 8.694 8.694 9.071 -0.377 17690
1038 1 6 . 1 1 21 21 LEU N N 21 129.031 129.031 122.631 6.400 17690
1039 1 6 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.515 -0.246 17690
1040 1 6 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.029 -0.265 17690
1041 1 6 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.590 0.549 17690
1042 1 6 . 1 1 21 21 LEU H H 21 9.421 9.421 8.683 0.738 17690
1043 1 6 . 1 1 22 22 ARG N N 22 124.860 124.860 124.277 0.583 17690
1044 1 6 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.865 0.520 17690
1045 1 6 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.921 -0.518 17690
1046 1 6 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.377 -0.537 17690
1047 1 6 . 1 1 22 22 ARG H H 22 8.862 8.862 9.352 -0.490 17690
1048 1 6 . 1 1 23 23 LEU N N 23 122.825 122.825 123.623 -0.798 17690
1049 1 6 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.255 0.014 17690
1050 1 6 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.728 -1.562 17690
1051 1 6 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.172 0.282 17690
1052 1 6 . 1 1 23 23 LEU H H 23 8.149 8.149 8.526 -0.377 17690
1053 1 6 . 1 1 24 24 SER N N 24 118.505 118.505 118.229 0.276 17690
1054 1 6 . 1 1 24 24 SER HA H 24 4.189 4.189 4.417 -0.228 17690
1055 1 6 . 1 1 24 24 SER CA C 24 57.331 57.331 57.845 -0.514 17690
1056 1 6 . 1 1 24 24 SER CB C 24 64.678 64.678 65.141 -0.463 17690
1057 1 6 . 1 1 24 24 SER H H 24 8.428 8.428 8.467 -0.039 17690
1058 1 6 . 1 1 25 25 HIS N N 25 120.283 120.283 122.436 -2.153 17690
1059 1 6 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.283 0.210 17690
1060 1 6 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.058 -0.065 17690
1061 1 6 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.767 0.039 17690
1062 1 6 . 1 1 25 25 HIS H H 25 8.280 8.280 8.823 -0.543 17690
1063 1 6 . 1 1 26 26 GLU N N 26 120.235 120.235 119.900 0.335 17690
1064 1 6 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.085 0.221 17690
1065 1 6 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.734 0.087 17690
1066 1 6 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.524 -0.730 17690
1067 1 6 . 1 1 26 26 GLU H H 26 8.605 8.605 8.031 0.574 17690
1068 1 6 . 1 1 27 27 ALA N N 27 123.290 123.290 121.943 1.347 17690
1069 1 6 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.117 -0.087 17690
1070 1 6 . 1 1 27 27 ALA CA C 27 55.414 55.414 55.033 0.381 17690
1071 1 6 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.440 0.238 17690
1072 1 6 . 1 1 27 27 ALA H H 27 7.939 7.939 7.564 0.375 17690
1073 1 6 . 1 1 28 28 LEU N N 28 116.982 116.982 118.363 -1.381 17690
1074 1 6 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.962 0.012 17690
1075 1 6 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.712 0.364 17690
1076 1 6 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.622 -0.210 17690
1077 1 6 . 1 1 28 28 LEU H H 28 8.051 8.051 7.499 0.552 17690
1078 1 6 . 1 1 29 29 ARG N N 29 119.663 119.663 119.245 0.418 17690
1079 1 6 . 1 1 29 29 ARG HA H 29 3.968 3.968 4.041 -0.073 17690
1080 1 6 . 1 1 29 29 ARG CA C 29 59.939 59.939 60.042 -0.103 17690
1081 1 6 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.995 0.236 17690
1082 1 6 . 1 1 29 29 ARG H H 29 8.185 8.185 7.722 0.463 17690
1083 1 6 . 1 1 30 30 GLN N N 30 116.955 116.955 119.015 -2.060 17690
1084 1 6 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.125 -0.086 17690
1085 1 6 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.848 0.027 17690
1086 1 6 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.753 -0.704 17690
1087 1 6 . 1 1 30 30 GLN H H 30 8.097 8.097 7.946 0.151 17690
1088 1 6 . 1 1 31 31 ILE N N 31 121.761 121.761 120.994 0.767 17690
1089 1 6 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.674 0.001 17690
1090 1 6 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.260 -0.056 17690
1091 1 6 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.980 -0.938 17690
1092 1 6 . 1 1 31 31 ILE H H 31 8.386 8.386 7.658 0.728 17690
1093 1 6 . 1 1 32 32 TYR N N 32 120.917 120.917 120.448 0.469 17690
1094 1 6 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.123 0.005 17690
1095 1 6 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.053 -1.082 17690
1096 1 6 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.522 -0.305 17690
1097 1 6 . 1 1 32 32 TYR H H 32 8.330 8.330 8.072 0.258 17690
1098 1 6 . 1 1 33 33 LEU N N 33 117.824 117.824 118.554 -0.730 17690
1099 1 6 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.689 0.164 17690
1100 1 6 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.810 -0.214 17690
1101 1 6 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.593 0.138 17690
1102 1 6 . 1 1 33 33 LEU H H 33 8.446 8.446 7.803 0.643 17690
1103 1 6 . 1 1 34 34 SER N N 34 114.939 114.939 114.287 0.652 17690
1104 1 6 . 1 1 34 34 SER HA H 34 4.297 4.297 4.145 0.152 17690
1105 1 6 . 1 1 34 34 SER CA C 34 61.643 61.643 61.711 -0.068 17690
1106 1 6 . 1 1 34 34 SER CB C 34 63.560 63.560 62.834 0.726 17690
1107 1 6 . 1 1 34 34 SER H H 34 8.002 8.002 8.487 -0.485 17690
1108 1 6 . 1 1 35 35 GLY N N 35 110.407 110.407 109.432 0.975 17690
1109 1 6 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.900 -0.217 17690
1110 1 6 . 1 1 35 35 GLY H H 35 8.354 8.354 8.015 0.339 17690
1111 1 6 . 1 1 36 36 LEU N N 36 121.693 121.693 122.523 -0.830 17690
1112 1 6 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.771 0.242 17690
1113 1 6 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.857 -0.739 17690
1114 1 6 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.713 0.072 17690
1115 1 6 . 1 1 36 36 LEU H H 36 8.198 8.198 7.816 0.382 17690
1116 1 6 . 1 1 37 37 HIS N N 37 115.842 115.842 116.053 -0.211 17690
1117 1 6 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.327 0.237 17690
1118 1 6 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.153 -2.814 17690
1119 1 6 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.769 -0.869 17690
1120 1 6 . 1 1 37 37 HIS H H 37 7.912 7.912 7.896 0.016 17690
1121 1 6 . 1 1 38 38 SER N N 38 114.737 114.737 113.818 0.919 17690
1122 1 6 . 1 1 38 38 SER HA H 38 4.342 4.342 4.304 0.038 17690
1123 1 6 . 1 1 38 38 SER CA C 38 59.833 59.833 61.351 -1.518 17690
1124 1 6 . 1 1 38 38 SER CB C 38 62.868 62.868 63.438 -0.570 17690
1125 1 6 . 1 1 38 38 SER H H 38 7.871 7.871 7.572 0.299 17690
1126 1 6 . 1 1 39 39 TRP N N 39 122.888 122.888 121.886 1.002 17690
1127 1 6 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.430 0.062 17690
1128 1 6 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.968 -0.052 17690
1129 1 6 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.469 -1.249 17690
1130 1 6 . 1 1 39 39 TRP H H 39 7.968 7.968 7.760 0.208 17690
1131 1 6 . 1 1 40 40 LYS N N 40 120.822 120.822 118.541 2.281 17690
1132 1 6 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.186 0.084 17690
1133 1 6 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.004 0.209 17690
1134 1 6 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.079 -0.509 17690
1135 1 6 . 1 1 40 40 LYS H H 40 7.775 7.775 7.390 0.385 17690
1136 1 6 . 1 1 41 41 LYS N N 41 123.403 123.403 122.295 1.108 17690
1137 1 6 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.283 -0.084 17690
1138 1 6 . 1 1 41 41 LYS CA C 41 56.905 56.905 55.968 0.937 17690
1139 1 6 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.332 -1.135 17690
1140 1 6 . 1 1 41 41 LYS H H 41 8.087 8.087 8.254 -0.167 17690
1141 1 7 . 1 1 2 2 ALA N N 2 127.360 127.360 125.984 1.376 17690
1142 1 7 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.503 -0.174 17690
1143 1 7 . 1 1 2 2 ALA CA C 2 52.379 52.379 51.939 0.440 17690
1144 1 7 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.657 -0.606 17690
1145 1 7 . 1 1 2 2 ALA H H 2 8.637 8.637 8.335 0.302 17690
1146 1 7 . 1 1 3 3 GLU N N 3 121.660 121.660 120.692 0.968 17690
1147 1 7 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.410 -0.193 17690
1148 1 7 . 1 1 3 3 GLU CA C 3 56.479 56.479 55.564 0.915 17690
1149 1 7 . 1 1 3 3 GLU CB C 3 30.019 30.019 31.509 -1.490 17690
1150 1 7 . 1 1 3 3 GLU H H 3 8.421 8.421 8.681 -0.260 17690
1151 1 7 . 1 1 4 4 ALA N N 4 125.777 125.777 127.294 -1.517 17690
1152 1 7 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.269 -0.007 17690
1153 1 7 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.160 0.060 17690
1154 1 7 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.815 -0.711 17690
1155 1 7 . 1 1 4 4 ALA H H 4 8.306 8.306 8.325 -0.019 17690
1156 1 7 . 1 1 5 5 HIS N N 5 118.168 118.168 118.989 -0.821 17690
1157 1 7 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.832 -0.126 17690
1158 1 7 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.619 -0.950 17690
1159 1 7 . 1 1 5 5 HIS CB C 5 28.847 28.847 31.748 -2.901 17690
1160 1 7 . 1 1 5 5 HIS H H 5 8.431 8.431 8.529 -0.098 17690
1161 1 7 . 1 1 6 6 GLN N N 6 122.323 122.323 122.595 -0.272 17690
1162 1 7 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.234 0.105 17690
1163 1 7 . 1 1 6 6 GLN CA C 6 55.734 55.734 56.922 -1.188 17690
1164 1 7 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.298 0.295 17690
1165 1 7 . 1 1 6 6 GLN H H 6 8.337 8.337 8.768 -0.431 17690
1166 1 7 . 1 1 7 7 ALA N N 7 126.205 126.205 122.257 3.948 17690
1167 1 7 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.340 0.009 17690
1168 1 7 . 1 1 7 7 ALA CA C 7 52.060 52.060 52.203 -0.143 17690
1169 1 7 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.642 -0.378 17690
1170 1 7 . 1 1 7 7 ALA H H 7 8.374 8.374 7.997 0.377 17690
1171 1 7 . 1 1 8 8 VAL N N 8 121.228 121.228 120.204 1.024 17690
1172 1 7 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.227 -0.262 17690
1173 1 7 . 1 1 8 8 VAL CA C 8 62.176 62.176 62.189 -0.013 17690
1174 1 7 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.300 -1.992 17690
1175 1 7 . 1 1 8 8 VAL H H 8 8.200 8.200 8.187 0.013 17690
1176 1 7 . 1 1 9 9 ALA N N 9 128.767 128.767 129.424 -0.657 17690
1177 1 7 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.564 -0.152 17690
1178 1 7 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.494 0.844 17690
1179 1 7 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.893 0.332 17690
1180 1 7 . 1 1 9 9 ALA H H 9 8.324 8.324 8.437 -0.113 17690
1181 1 7 . 1 1 10 10 PHE N N 10 115.148 115.148 115.630 -0.482 17690
1182 1 7 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.748 -0.363 17690
1183 1 7 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.989 1.904 17690
1184 1 7 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.184 1.760 17690
1185 1 7 . 1 1 10 10 PHE H H 10 7.578 7.578 7.739 -0.161 17690
1186 1 7 . 1 1 11 11 GLN N N 11 123.516 123.516 121.510 2.006 17690
1187 1 7 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.853 -0.399 17690
1188 1 7 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.719 0.589 17690
1189 1 7 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.255 -1.484 17690
1190 1 7 . 1 1 11 11 GLN H H 11 8.653 8.653 9.090 -0.437 17690
1191 1 7 . 1 1 12 12 PHE N N 12 126.845 126.845 126.374 0.471 17690
1192 1 7 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.753 -0.172 17690
1193 1 7 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.293 1.026 17690
1194 1 7 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.274 1.043 17690
1195 1 7 . 1 1 12 12 PHE H H 12 8.769 8.769 8.810 -0.041 17690
1196 1 7 . 1 1 13 13 THR N N 13 122.078 122.078 124.215 -2.137 17690
1197 1 7 . 1 1 13 13 THR HA H 13 4.492 4.492 4.333 0.159 17690
1198 1 7 . 1 1 13 13 THR CA C 13 61.111 61.111 61.107 0.004 17690
1199 1 7 . 1 1 13 13 THR CB C 13 71.757 71.757 71.434 0.323 17690
1200 1 7 . 1 1 13 13 THR H H 13 8.724 8.724 9.142 -0.418 17690
1201 1 7 . 1 1 14 14 VAL N N 14 125.702 125.702 127.296 -1.594 17690
1202 1 7 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.623 -0.131 17690
1203 1 7 . 1 1 14 14 VAL CA C 14 60.898 60.898 60.053 0.845 17690
1204 1 7 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.735 -0.214 17690
1205 1 7 . 1 1 14 14 VAL H H 14 8.573 8.573 8.431 0.142 17690
1206 1 7 . 1 1 15 15 THR N N 15 121.390 121.390 122.888 -1.498 17690
1207 1 7 . 1 1 15 15 THR CA C 15 58.895 58.895 58.565 0.330 17690
1208 1 7 . 1 1 15 15 THR CB C 15 68.453 68.453 69.590 -1.137 17690
1209 1 7 . 1 1 15 15 THR H H 15 8.888 8.888 8.825 0.063 17690
1210 1 7 . 1 1 17 17 ASP N N 17 111.883 111.883 116.831 -4.948 17690
1211 1 7 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.595 0.183 17690
1212 1 7 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.437 -0.247 17690
1213 1 7 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.104 0.623 17690
1214 1 7 . 1 1 17 17 ASP H H 17 7.742 7.742 8.430 -0.688 17690
1215 1 7 . 1 1 18 18 GLY N N 18 110.771 110.771 107.092 3.679 17690
1216 1 7 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.076 0.648 17690
1217 1 7 . 1 1 18 18 GLY H H 18 7.461 7.461 7.889 -0.428 17690
1218 1 7 . 1 1 19 19 ILE N N 19 115.499 115.499 116.868 -1.369 17690
1219 1 7 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.311 -0.123 17690
1220 1 7 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.224 -1.367 17690
1221 1 7 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.273 -0.062 17690
1222 1 7 . 1 1 19 19 ILE H H 19 8.631 8.631 8.230 0.401 17690
1223 1 7 . 1 1 20 20 ASP N N 20 123.215 123.215 123.314 -0.099 17690
1224 1 7 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.079 0.368 17690
1225 1 7 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.671 0.401 17690
1226 1 7 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.346 -1.124 17690
1227 1 7 . 1 1 20 20 ASP H H 20 8.694 8.694 8.940 -0.246 17690
1228 1 7 . 1 1 21 21 LEU N N 21 129.031 129.031 123.804 5.227 17690
1229 1 7 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.251 0.018 17690
1230 1 7 . 1 1 21 21 LEU CA C 21 53.764 53.764 53.866 -0.102 17690
1231 1 7 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.461 0.678 17690
1232 1 7 . 1 1 21 21 LEU H H 21 9.421 9.421 8.616 0.805 17690
1233 1 7 . 1 1 22 22 ARG N N 22 124.860 124.860 124.204 0.656 17690
1234 1 7 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.748 0.637 17690
1235 1 7 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.961 -0.558 17690
1236 1 7 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.072 -0.231 17690
1237 1 7 . 1 1 22 22 ARG H H 22 8.862 8.862 9.184 -0.322 17690
1238 1 7 . 1 1 23 23 LEU N N 23 122.825 122.825 124.009 -1.184 17690
1239 1 7 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.189 0.080 17690
1240 1 7 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.324 -1.157 17690
1241 1 7 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.183 0.271 17690
1242 1 7 . 1 1 23 23 LEU H H 23 8.149 8.149 8.565 -0.416 17690
1243 1 7 . 1 1 24 24 SER N N 24 118.505 118.505 118.326 0.179 17690
1244 1 7 . 1 1 24 24 SER HA H 24 4.189 4.189 4.491 -0.302 17690
1245 1 7 . 1 1 24 24 SER CA C 24 57.331 57.331 57.202 0.129 17690
1246 1 7 . 1 1 24 24 SER CB C 24 64.678 64.678 65.525 -0.847 17690
1247 1 7 . 1 1 24 24 SER H H 24 8.428 8.428 8.471 -0.043 17690
1248 1 7 . 1 1 25 25 HIS N N 25 120.283 120.283 122.900 -2.617 17690
1249 1 7 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.308 0.185 17690
1250 1 7 . 1 1 25 25 HIS CA C 25 59.993 59.993 59.840 0.153 17690
1251 1 7 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.704 0.102 17690
1252 1 7 . 1 1 25 25 HIS H H 25 8.280 8.280 8.738 -0.458 17690
1253 1 7 . 1 1 26 26 GLU N N 26 120.235 120.235 119.662 0.573 17690
1254 1 7 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.109 0.197 17690
1255 1 7 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.898 -0.077 17690
1256 1 7 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.294 -0.500 17690
1257 1 7 . 1 1 26 26 GLU H H 26 8.605 8.605 8.709 -0.104 17690
1258 1 7 . 1 1 27 27 ALA N N 27 123.290 123.290 122.231 1.059 17690
1259 1 7 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.010 0.020 17690
1260 1 7 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.931 0.483 17690
1261 1 7 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.340 0.338 17690
1262 1 7 . 1 1 27 27 ALA H H 27 7.939 7.939 7.887 0.052 17690
1263 1 7 . 1 1 28 28 LEU N N 28 116.982 116.982 118.949 -1.967 17690
1264 1 7 . 1 1 28 28 LEU HA H 28 3.974 3.974 4.001 -0.027 17690
1265 1 7 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.586 0.490 17690
1266 1 7 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.585 -0.173 17690
1267 1 7 . 1 1 28 28 LEU H H 28 8.051 8.051 7.527 0.524 17690
1268 1 7 . 1 1 29 29 ARG N N 29 119.663 119.663 119.723 -0.060 17690
1269 1 7 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.979 -0.011 17690
1270 1 7 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.843 0.096 17690
1271 1 7 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.041 0.190 17690
1272 1 7 . 1 1 29 29 ARG H H 29 8.185 8.185 7.790 0.395 17690
1273 1 7 . 1 1 30 30 GLN N N 30 116.955 116.955 118.670 -1.715 17690
1274 1 7 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.090 -0.051 17690
1275 1 7 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.999 -0.124 17690
1276 1 7 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.698 -0.648 17690
1277 1 7 . 1 1 30 30 GLN H H 30 8.097 8.097 7.763 0.334 17690
1278 1 7 . 1 1 31 31 ILE N N 31 121.761 121.761 120.736 1.025 17690
1279 1 7 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.759 -0.084 17690
1280 1 7 . 1 1 31 31 ILE CA C 31 65.204 65.204 64.649 0.555 17690
1281 1 7 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.411 -0.369 17690
1282 1 7 . 1 1 31 31 ILE H H 31 8.386 8.386 7.719 0.667 17690
1283 1 7 . 1 1 32 32 TYR N N 32 120.917 120.917 121.023 -0.106 17690
1284 1 7 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.162 -0.034 17690
1285 1 7 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.354 -1.383 17690
1286 1 7 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.412 -0.195 17690
1287 1 7 . 1 1 32 32 TYR H H 32 8.330 8.330 8.198 0.132 17690
1288 1 7 . 1 1 33 33 LEU N N 33 117.824 117.824 118.867 -1.043 17690
1289 1 7 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.654 0.199 17690
1290 1 7 . 1 1 33 33 LEU CA C 33 57.597 57.597 58.049 -0.452 17690
1291 1 7 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.688 0.043 17690
1292 1 7 . 1 1 33 33 LEU H H 33 8.446 8.446 7.834 0.612 17690
1293 1 7 . 1 1 34 34 SER N N 34 114.939 114.939 114.929 0.010 17690
1294 1 7 . 1 1 34 34 SER HA H 34 4.297 4.297 4.209 0.088 17690
1295 1 7 . 1 1 34 34 SER CA C 34 61.643 61.643 62.077 -0.434 17690
1296 1 7 . 1 1 34 34 SER CB C 34 63.560 63.560 62.987 0.573 17690
1297 1 7 . 1 1 34 34 SER H H 34 8.002 8.002 8.713 -0.711 17690
1298 1 7 . 1 1 35 35 GLY N N 35 110.407 110.407 110.249 0.158 17690
1299 1 7 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.621 0.062 17690
1300 1 7 . 1 1 35 35 GLY H H 35 8.354 8.354 8.060 0.294 17690
1301 1 7 . 1 1 36 36 LEU N N 36 121.693 121.693 121.275 0.418 17690
1302 1 7 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.972 0.041 17690
1303 1 7 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.130 -0.012 17690
1304 1 7 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.767 0.018 17690
1305 1 7 . 1 1 36 36 LEU H H 36 8.198 8.198 7.815 0.383 17690
1306 1 7 . 1 1 37 37 HIS N N 37 115.842 115.842 117.213 -1.371 17690
1307 1 7 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.488 0.076 17690
1308 1 7 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.647 -3.308 17690
1309 1 7 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.382 -0.482 17690
1310 1 7 . 1 1 37 37 HIS H H 37 7.912 7.912 8.377 -0.465 17690
1311 1 7 . 1 1 38 38 SER N N 38 114.737 114.737 115.431 -0.694 17690
1312 1 7 . 1 1 38 38 SER HA H 38 4.342 4.342 4.433 -0.091 17690
1313 1 7 . 1 1 38 38 SER CA C 38 59.833 59.833 60.413 -0.580 17690
1314 1 7 . 1 1 38 38 SER CB C 38 62.868 62.868 62.231 0.637 17690
1315 1 7 . 1 1 38 38 SER H H 38 7.871 7.871 7.922 -0.051 17690
1316 1 7 . 1 1 39 39 TRP N N 39 122.888 122.888 120.827 2.061 17690
1317 1 7 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.572 -0.080 17690
1318 1 7 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.965 -1.049 17690
1319 1 7 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.073 -0.853 17690
1320 1 7 . 1 1 39 39 TRP H H 39 7.968 7.968 7.450 0.518 17690
1321 1 7 . 1 1 40 40 LYS N N 40 120.822 120.822 118.813 2.009 17690
1322 1 7 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.653 -0.383 17690
1323 1 7 . 1 1 40 40 LYS CA C 40 56.213 56.213 55.273 0.940 17690
1324 1 7 . 1 1 40 40 LYS CB C 40 32.570 32.570 34.288 -1.718 17690
1325 1 7 . 1 1 40 40 LYS H H 40 7.775 7.775 7.735 0.040 17690
1326 1 7 . 1 1 41 41 LYS N N 41 123.403 123.403 121.462 1.941 17690
1327 1 7 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.482 -0.283 17690
1328 1 7 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.092 0.813 17690
1329 1 7 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.403 -1.206 17690
1330 1 7 . 1 1 41 41 LYS H H 41 8.087 8.087 8.475 -0.388 17690
1331 1 8 . 1 1 2 2 ALA N N 2 127.360 127.360 124.109 3.251 17690
1332 1 8 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.242 0.087 17690
1333 1 8 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.913 -0.534 17690
1334 1 8 . 1 1 2 2 ALA CB C 2 19.051 19.051 18.980 0.071 17690
1335 1 8 . 1 1 2 2 ALA H H 2 8.637 8.637 7.951 0.686 17690
1336 1 8 . 1 1 3 3 GLU N N 3 121.660 121.660 118.669 2.991 17690
1337 1 8 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.019 0.198 17690
1338 1 8 . 1 1 3 3 GLU CA C 3 56.479 56.479 56.255 0.224 17690
1339 1 8 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.621 0.398 17690
1340 1 8 . 1 1 3 3 GLU H H 3 8.421 8.421 8.113 0.308 17690
1341 1 8 . 1 1 4 4 ALA N N 4 125.777 125.777 127.828 -2.051 17690
1342 1 8 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.315 -0.053 17690
1343 1 8 . 1 1 4 4 ALA CA C 4 52.220 52.220 51.326 0.894 17690
1344 1 8 . 1 1 4 4 ALA CB C 4 19.104 19.104 21.319 -2.215 17690
1345 1 8 . 1 1 4 4 ALA H H 4 8.306 8.306 7.883 0.423 17690
1346 1 8 . 1 1 5 5 HIS N N 5 118.168 118.168 119.185 -1.017 17690
1347 1 8 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.866 -0.160 17690
1348 1 8 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.917 -1.248 17690
1349 1 8 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.683 -1.836 17690
1350 1 8 . 1 1 5 5 HIS H H 5 8.431 8.431 8.535 -0.104 17690
1351 1 8 . 1 1 6 6 GLN N N 6 122.323 122.323 119.980 2.343 17690
1352 1 8 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.041 0.298 17690
1353 1 8 . 1 1 6 6 GLN CA C 6 55.734 55.734 56.353 -0.619 17690
1354 1 8 . 1 1 6 6 GLN CB C 6 29.593 29.593 28.927 0.666 17690
1355 1 8 . 1 1 6 6 GLN H H 6 8.337 8.337 8.646 -0.309 17690
1356 1 8 . 1 1 7 7 ALA N N 7 126.205 126.205 122.485 3.720 17690
1357 1 8 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.660 -0.311 17690
1358 1 8 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.858 0.202 17690
1359 1 8 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.703 -1.439 17690
1360 1 8 . 1 1 7 7 ALA H H 7 8.374 8.374 8.216 0.158 17690
1361 1 8 . 1 1 8 8 VAL N N 8 121.228 121.228 121.116 0.112 17690
1362 1 8 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.270 -0.305 17690
1363 1 8 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.322 0.854 17690
1364 1 8 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.933 -2.625 17690
1365 1 8 . 1 1 8 8 VAL H H 8 8.200 8.200 8.410 -0.210 17690
1366 1 8 . 1 1 9 9 ALA N N 9 128.767 128.767 128.922 -0.155 17690
1367 1 8 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.115 0.297 17690
1368 1 8 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.414 -0.076 17690
1369 1 8 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.069 1.156 17690
1370 1 8 . 1 1 9 9 ALA H H 9 8.324 8.324 8.417 -0.093 17690
1371 1 8 . 1 1 10 10 PHE N N 10 115.148 115.148 112.141 3.007 17690
1372 1 8 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.753 -0.367 17690
1373 1 8 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.487 2.406 17690
1374 1 8 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.966 0.978 17690
1375 1 8 . 1 1 10 10 PHE H H 10 7.578 7.578 7.681 -0.103 17690
1376 1 8 . 1 1 11 11 GLN N N 11 123.516 123.516 121.056 2.460 17690
1377 1 8 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.848 -0.394 17690
1378 1 8 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.640 0.668 17690
1379 1 8 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.076 -1.305 17690
1380 1 8 . 1 1 11 11 GLN H H 11 8.653 8.653 9.201 -0.548 17690
1381 1 8 . 1 1 12 12 PHE N N 12 126.845 126.845 127.014 -0.169 17690
1382 1 8 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.685 -0.104 17690
1383 1 8 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.291 1.028 17690
1384 1 8 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.486 0.831 17690
1385 1 8 . 1 1 12 12 PHE H H 12 8.769 8.769 8.806 -0.037 17690
1386 1 8 . 1 1 13 13 THR N N 13 122.078 122.078 124.053 -1.975 17690
1387 1 8 . 1 1 13 13 THR HA H 13 4.492 4.492 4.370 0.122 17690
1388 1 8 . 1 1 13 13 THR CA C 13 61.111 61.111 61.443 -0.332 17690
1389 1 8 . 1 1 13 13 THR CB C 13 71.757 71.757 71.728 0.029 17690
1390 1 8 . 1 1 13 13 THR H H 13 8.724 8.724 9.329 -0.605 17690
1391 1 8 . 1 1 14 14 VAL N N 14 125.702 125.702 127.372 -1.670 17690
1392 1 8 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.479 0.013 17690
1393 1 8 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.631 -0.733 17690
1394 1 8 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.269 0.252 17690
1395 1 8 . 1 1 14 14 VAL H H 14 8.573 8.573 8.505 0.068 17690
1396 1 8 . 1 1 15 15 THR N N 15 121.390 121.390 122.064 -0.674 17690
1397 1 8 . 1 1 15 15 THR CA C 15 58.895 58.895 58.087 0.807 17690
1398 1 8 . 1 1 15 15 THR CB C 15 68.453 68.453 70.676 -2.223 17690
1399 1 8 . 1 1 15 15 THR H H 15 8.888 8.888 8.834 0.054 17690
1400 1 8 . 1 1 17 17 ASP N N 17 111.883 111.883 116.720 -4.837 17690
1401 1 8 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.596 0.182 17690
1402 1 8 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.839 -0.649 17690
1403 1 8 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.732 -0.005 17690
1404 1 8 . 1 1 17 17 ASP H H 17 7.742 7.742 7.964 -0.222 17690
1405 1 8 . 1 1 18 18 GLY N N 18 110.771 110.771 107.263 3.508 17690
1406 1 8 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.108 0.616 17690
1407 1 8 . 1 1 18 18 GLY H H 18 7.461 7.461 7.958 -0.497 17690
1408 1 8 . 1 1 19 19 ILE N N 19 115.499 115.499 116.872 -1.373 17690
1409 1 8 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.300 -0.112 17690
1410 1 8 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.195 -1.338 17690
1411 1 8 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.307 -0.096 17690
1412 1 8 . 1 1 19 19 ILE H H 19 8.631 8.631 8.239 0.392 17690
1413 1 8 . 1 1 20 20 ASP N N 20 123.215 123.215 123.334 -0.119 17690
1414 1 8 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.085 0.362 17690
1415 1 8 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.914 0.158 17690
1416 1 8 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.591 -1.369 17690
1417 1 8 . 1 1 20 20 ASP H H 20 8.694 8.694 9.061 -0.367 17690
1418 1 8 . 1 1 21 21 LEU N N 21 129.031 129.031 123.872 5.159 17690
1419 1 8 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.351 -0.082 17690
1420 1 8 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.300 -0.536 17690
1421 1 8 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.872 0.267 17690
1422 1 8 . 1 1 21 21 LEU H H 21 9.421 9.421 8.615 0.806 17690
1423 1 8 . 1 1 22 22 ARG N N 22 124.860 124.860 125.106 -0.246 17690
1424 1 8 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.860 0.525 17690
1425 1 8 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.898 -0.495 17690
1426 1 8 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.239 -0.399 17690
1427 1 8 . 1 1 22 22 ARG H H 22 8.862 8.862 9.250 -0.388 17690
1428 1 8 . 1 1 23 23 LEU N N 23 122.825 122.825 125.837 -3.012 17690
1429 1 8 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.344 -0.075 17690
1430 1 8 . 1 1 23 23 LEU CA C 23 52.166 52.166 52.326 -0.160 17690
1431 1 8 . 1 1 23 23 LEU CB C 23 45.454 45.454 44.048 1.406 17690
1432 1 8 . 1 1 23 23 LEU H H 23 8.149 8.149 8.574 -0.425 17690
1433 1 8 . 1 1 24 24 SER N N 24 118.505 118.505 117.823 0.682 17690
1434 1 8 . 1 1 24 24 SER HA H 24 4.189 4.189 4.638 -0.449 17690
1435 1 8 . 1 1 24 24 SER CA C 24 57.331 57.331 57.629 -0.298 17690
1436 1 8 . 1 1 24 24 SER CB C 24 64.678 64.678 65.679 -1.001 17690
1437 1 8 . 1 1 24 24 SER H H 24 8.428 8.428 8.243 0.185 17690
1438 1 8 . 1 1 25 25 HIS N N 25 120.283 120.283 122.923 -2.640 17690
1439 1 8 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.265 0.228 17690
1440 1 8 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.217 -0.224 17690
1441 1 8 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.601 0.205 17690
1442 1 8 . 1 1 25 25 HIS H H 25 8.280 8.280 9.098 -0.818 17690
1443 1 8 . 1 1 26 26 GLU N N 26 120.235 120.235 119.733 0.502 17690
1444 1 8 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.071 0.235 17690
1445 1 8 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.680 0.141 17690
1446 1 8 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.440 -0.646 17690
1447 1 8 . 1 1 26 26 GLU H H 26 8.605 8.605 8.002 0.603 17690
1448 1 8 . 1 1 27 27 ALA N N 27 123.290 123.290 122.202 1.088 17690
1449 1 8 . 1 1 27 27 ALA HA H 27 4.030 4.030 3.971 0.059 17690
1450 1 8 . 1 1 27 27 ALA CA C 27 55.414 55.414 55.018 0.396 17690
1451 1 8 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.351 0.327 17690
1452 1 8 . 1 1 27 27 ALA H H 27 7.939 7.939 7.669 0.270 17690
1453 1 8 . 1 1 28 28 LEU N N 28 116.982 116.982 118.950 -1.968 17690
1454 1 8 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.972 0.002 17690
1455 1 8 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.571 0.505 17690
1456 1 8 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.521 -0.109 17690
1457 1 8 . 1 1 28 28 LEU H H 28 8.051 8.051 7.559 0.492 17690
1458 1 8 . 1 1 29 29 ARG N N 29 119.663 119.663 119.758 -0.095 17690
1459 1 8 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.932 0.036 17690
1460 1 8 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.883 0.056 17690
1461 1 8 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.979 0.252 17690
1462 1 8 . 1 1 29 29 ARG H H 29 8.185 8.185 7.599 0.586 17690
1463 1 8 . 1 1 30 30 GLN N N 30 116.955 116.955 118.505 -1.550 17690
1464 1 8 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.182 -0.143 17690
1465 1 8 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.899 -0.024 17690
1466 1 8 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.427 -0.378 17690
1467 1 8 . 1 1 30 30 GLN H H 30 8.097 8.097 7.678 0.419 17690
1468 1 8 . 1 1 31 31 ILE N N 31 121.761 121.761 121.291 0.470 17690
1469 1 8 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.671 0.004 17690
1470 1 8 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.362 -0.158 17690
1471 1 8 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.027 -0.985 17690
1472 1 8 . 1 1 31 31 ILE H H 31 8.386 8.386 7.669 0.717 17690
1473 1 8 . 1 1 32 32 TYR N N 32 120.917 120.917 120.385 0.532 17690
1474 1 8 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.123 0.005 17690
1475 1 8 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.343 -1.372 17690
1476 1 8 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.612 -0.395 17690
1477 1 8 . 1 1 32 32 TYR H H 32 8.330 8.330 8.357 -0.027 17690
1478 1 8 . 1 1 33 33 LEU N N 33 117.824 117.824 118.863 -1.039 17690
1479 1 8 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.655 0.198 17690
1480 1 8 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.943 -0.346 17690
1481 1 8 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.775 -0.044 17690
1482 1 8 . 1 1 33 33 LEU H H 33 8.446 8.446 7.791 0.655 17690
1483 1 8 . 1 1 34 34 SER N N 34 114.939 114.939 114.840 0.099 17690
1484 1 8 . 1 1 34 34 SER HA H 34 4.297 4.297 4.172 0.125 17690
1485 1 8 . 1 1 34 34 SER CA C 34 61.643 61.643 61.811 -0.168 17690
1486 1 8 . 1 1 34 34 SER CB C 34 63.560 63.560 62.956 0.604 17690
1487 1 8 . 1 1 34 34 SER H H 34 8.002 8.002 8.612 -0.610 17690
1488 1 8 . 1 1 35 35 GLY N N 35 110.407 110.407 109.556 0.851 17690
1489 1 8 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.614 0.069 17690
1490 1 8 . 1 1 35 35 GLY H H 35 8.354 8.354 7.754 0.600 17690
1491 1 8 . 1 1 36 36 LEU N N 36 121.693 121.693 123.040 -1.347 17690
1492 1 8 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.940 0.073 17690
1493 1 8 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.274 -0.156 17690
1494 1 8 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.470 0.315 17690
1495 1 8 . 1 1 36 36 LEU H H 36 8.198 8.198 7.657 0.541 17690
1496 1 8 . 1 1 37 37 HIS N N 37 115.842 115.842 117.036 -1.194 17690
1497 1 8 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.451 0.113 17690
1498 1 8 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.785 -2.446 17690
1499 1 8 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.637 -0.737 17690
1500 1 8 . 1 1 37 37 HIS H H 37 7.912 7.912 8.214 -0.302 17690
1501 1 8 . 1 1 38 38 SER N N 38 114.737 114.737 115.411 -0.674 17690
1502 1 8 . 1 1 38 38 SER HA H 38 4.342 4.342 4.128 0.214 17690
1503 1 8 . 1 1 38 38 SER CA C 38 59.833 59.833 62.298 -2.465 17690
1504 1 8 . 1 1 38 38 SER CB C 38 62.868 62.868 63.178 -0.310 17690
1505 1 8 . 1 1 38 38 SER H H 38 7.871 7.871 7.617 0.254 17690
1506 1 8 . 1 1 39 39 TRP N N 39 122.888 122.888 120.340 2.548 17690
1507 1 8 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.438 0.054 17690
1508 1 8 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.478 0.438 17690
1509 1 8 . 1 1 39 39 TRP CB C 39 29.220 29.220 29.874 -0.654 17690
1510 1 8 . 1 1 39 39 TRP H H 39 7.968 7.968 7.438 0.530 17690
1511 1 8 . 1 1 40 40 LYS N N 40 120.822 120.822 120.307 0.515 17690
1512 1 8 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.284 -0.014 17690
1513 1 8 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.861 -0.648 17690
1514 1 8 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.266 -0.695 17690
1515 1 8 . 1 1 40 40 LYS H H 40 7.775 7.775 7.545 0.230 17690
1516 1 8 . 1 1 41 41 LYS N N 41 123.403 123.403 124.617 -1.214 17690
1517 1 8 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.357 -0.158 17690
1518 1 8 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.313 0.592 17690
1519 1 8 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.766 -0.569 17690
1520 1 8 . 1 1 41 41 LYS H H 41 8.087 8.087 8.507 -0.420 17690
1521 1 9 . 1 1 2 2 ALA N N 2 127.360 127.360 124.841 2.519 17690
1522 1 9 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.114 0.215 17690
1523 1 9 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.484 -0.105 17690
1524 1 9 . 1 1 2 2 ALA CB C 2 19.051 19.051 18.928 0.123 17690
1525 1 9 . 1 1 2 2 ALA H H 2 8.637 8.637 8.081 0.556 17690
1526 1 9 . 1 1 3 3 GLU N N 3 121.660 121.660 121.137 0.523 17690
1527 1 9 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.009 0.208 17690
1528 1 9 . 1 1 3 3 GLU CA C 3 56.479 56.479 57.008 -0.529 17690
1529 1 9 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.981 0.038 17690
1530 1 9 . 1 1 3 3 GLU H H 3 8.421 8.421 8.617 -0.196 17690
1531 1 9 . 1 1 4 4 ALA N N 4 125.777 125.777 123.172 2.605 17690
1532 1 9 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.239 0.023 17690
1533 1 9 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.731 -0.511 17690
1534 1 9 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.325 -0.221 17690
1535 1 9 . 1 1 4 4 ALA H H 4 8.306 8.306 7.689 0.617 17690
1536 1 9 . 1 1 5 5 HIS N N 5 118.168 118.168 119.400 -1.232 17690
1537 1 9 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.534 0.172 17690
1538 1 9 . 1 1 5 5 HIS CA C 5 54.669 54.669 57.659 -2.990 17690
1539 1 9 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.261 -1.413 17690
1540 1 9 . 1 1 5 5 HIS H H 5 8.431 8.431 8.748 -0.317 17690
1541 1 9 . 1 1 6 6 GLN N N 6 122.323 122.323 119.390 2.933 17690
1542 1 9 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.208 0.131 17690
1543 1 9 . 1 1 6 6 GLN CA C 6 55.734 55.734 56.495 -0.760 17690
1544 1 9 . 1 1 6 6 GLN CB C 6 29.593 29.593 28.915 0.678 17690
1545 1 9 . 1 1 6 6 GLN H H 6 8.337 8.337 8.222 0.115 17690
1546 1 9 . 1 1 7 7 ALA N N 7 126.205 126.205 122.108 4.097 17690
1547 1 9 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.308 0.041 17690
1548 1 9 . 1 1 7 7 ALA CA C 7 52.060 52.060 52.352 -0.292 17690
1549 1 9 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.583 -0.319 17690
1550 1 9 . 1 1 7 7 ALA H H 7 8.374 8.374 7.717 0.657 17690
1551 1 9 . 1 1 8 8 VAL N N 8 121.228 121.228 121.404 -0.176 17690
1552 1 9 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.293 -0.328 17690
1553 1 9 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.550 0.626 17690
1554 1 9 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.818 -2.510 17690
1555 1 9 . 1 1 8 8 VAL H H 8 8.200 8.200 8.512 -0.312 17690
1556 1 9 . 1 1 9 9 ALA N N 9 128.767 128.767 129.999 -1.232 17690
1557 1 9 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.272 0.140 17690
1558 1 9 . 1 1 9 9 ALA CA C 9 53.338 53.338 54.181 -0.843 17690
1559 1 9 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.198 1.028 17690
1560 1 9 . 1 1 9 9 ALA H H 9 8.324 8.324 8.800 -0.476 17690
1561 1 9 . 1 1 10 10 PHE N N 10 115.148 115.148 114.070 1.078 17690
1562 1 9 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.706 -0.321 17690
1563 1 9 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.962 1.931 17690
1564 1 9 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.900 1.044 17690
1565 1 9 . 1 1 10 10 PHE H H 10 7.578 7.578 7.945 -0.367 17690
1566 1 9 . 1 1 11 11 GLN N N 11 123.516 123.516 123.370 0.146 17690
1567 1 9 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.549 -0.095 17690
1568 1 9 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.065 1.243 17690
1569 1 9 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.288 -1.518 17690
1570 1 9 . 1 1 11 11 GLN H H 11 8.653 8.653 9.072 -0.419 17690
1571 1 9 . 1 1 12 12 PHE N N 12 126.845 126.845 128.081 -1.236 17690
1572 1 9 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.690 -0.109 17690
1573 1 9 . 1 1 12 12 PHE CA C 12 56.319 56.319 54.908 1.411 17690
1574 1 9 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.001 1.316 17690
1575 1 9 . 1 1 12 12 PHE H H 12 8.769 8.769 8.627 0.142 17690
1576 1 9 . 1 1 13 13 THR N N 13 122.078 122.078 124.087 -2.009 17690
1577 1 9 . 1 1 13 13 THR HA H 13 4.492 4.492 4.277 0.215 17690
1578 1 9 . 1 1 13 13 THR CA C 13 61.111 61.111 61.160 -0.049 17690
1579 1 9 . 1 1 13 13 THR CB C 13 71.757 71.757 71.663 0.094 17690
1580 1 9 . 1 1 13 13 THR H H 13 8.724 8.724 9.190 -0.466 17690
1581 1 9 . 1 1 14 14 VAL N N 14 125.702 125.702 127.152 -1.450 17690
1582 1 9 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.451 0.041 17690
1583 1 9 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.136 -0.238 17690
1584 1 9 . 1 1 14 14 VAL CB C 14 32.521 32.521 33.394 -0.873 17690
1585 1 9 . 1 1 14 14 VAL H H 14 8.573 8.573 8.421 0.152 17690
1586 1 9 . 1 1 15 15 THR N N 15 121.390 121.390 121.513 -0.123 17690
1587 1 9 . 1 1 15 15 THR CA C 15 58.895 58.895 58.419 0.477 17690
1588 1 9 . 1 1 15 15 THR CB C 15 68.453 68.453 70.097 -1.644 17690
1589 1 9 . 1 1 15 15 THR H H 15 8.888 8.888 8.980 -0.092 17690
1590 1 9 . 1 1 17 17 ASP N N 17 111.883 111.883 115.042 -3.159 17690
1591 1 9 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.515 0.263 17690
1592 1 9 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.126 0.064 17690
1593 1 9 . 1 1 17 17 ASP CB C 17 41.727 41.727 40.712 1.015 17690
1594 1 9 . 1 1 17 17 ASP H H 17 7.742 7.742 8.415 -0.673 17690
1595 1 9 . 1 1 18 18 GLY N N 18 110.771 110.771 107.793 2.978 17690
1596 1 9 . 1 1 18 18 GLY CA C 18 45.724 45.724 44.910 0.814 17690
1597 1 9 . 1 1 18 18 GLY H H 18 7.461 7.461 7.939 -0.478 17690
1598 1 9 . 1 1 19 19 ILE N N 19 115.499 115.499 116.665 -1.166 17690
1599 1 9 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.277 -0.089 17690
1600 1 9 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.129 -1.272 17690
1601 1 9 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.293 -0.082 17690
1602 1 9 . 1 1 19 19 ILE H H 19 8.631 8.631 8.234 0.397 17690
1603 1 9 . 1 1 20 20 ASP N N 20 123.215 123.215 123.139 0.076 17690
1604 1 9 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.071 0.376 17690
1605 1 9 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.762 0.310 17690
1606 1 9 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.433 -1.211 17690
1607 1 9 . 1 1 20 20 ASP H H 20 8.694 8.694 9.034 -0.340 17690
1608 1 9 . 1 1 21 21 LEU N N 21 129.031 129.031 123.813 5.218 17690
1609 1 9 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.308 -0.039 17690
1610 1 9 . 1 1 21 21 LEU CA C 21 53.764 53.764 53.854 -0.090 17690
1611 1 9 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.708 0.431 17690
1612 1 9 . 1 1 21 21 LEU H H 21 9.421 9.421 8.619 0.802 17690
1613 1 9 . 1 1 22 22 ARG N N 22 124.860 124.860 124.000 0.860 17690
1614 1 9 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.744 0.641 17690
1615 1 9 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.849 -0.446 17690
1616 1 9 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.231 -0.391 17690
1617 1 9 . 1 1 22 22 ARG H H 22 8.862 8.862 9.164 -0.302 17690
1618 1 9 . 1 1 23 23 LEU N N 23 122.825 122.825 123.608 -0.783 17690
1619 1 9 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.155 0.114 17690
1620 1 9 . 1 1 23 23 LEU CA C 23 52.166 52.166 54.035 -1.869 17690
1621 1 9 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.308 0.146 17690
1622 1 9 . 1 1 23 23 LEU H H 23 8.149 8.149 8.485 -0.336 17690
1623 1 9 . 1 1 24 24 SER N N 24 118.505 118.505 117.811 0.694 17690
1624 1 9 . 1 1 24 24 SER HA H 24 4.189 4.189 4.437 -0.248 17690
1625 1 9 . 1 1 24 24 SER CA C 24 57.331 57.331 57.803 -0.472 17690
1626 1 9 . 1 1 24 24 SER CB C 24 64.678 64.678 64.174 0.504 17690
1627 1 9 . 1 1 24 24 SER H H 24 8.428 8.428 8.325 0.103 17690
1628 1 9 . 1 1 25 25 HIS N N 25 120.283 120.283 123.017 -2.734 17690
1629 1 9 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.285 0.208 17690
1630 1 9 . 1 1 25 25 HIS CA C 25 59.993 59.993 59.728 0.265 17690
1631 1 9 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.804 0.002 17690
1632 1 9 . 1 1 25 25 HIS H H 25 8.280 8.280 8.867 -0.587 17690
1633 1 9 . 1 1 26 26 GLU N N 26 120.235 120.235 119.055 1.180 17690
1634 1 9 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.141 0.165 17690
1635 1 9 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.803 0.017 17690
1636 1 9 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.281 -0.487 17690
1637 1 9 . 1 1 26 26 GLU H H 26 8.605 8.605 8.864 -0.259 17690
1638 1 9 . 1 1 27 27 ALA N N 27 123.290 123.290 122.528 0.762 17690
1639 1 9 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.117 -0.087 17690
1640 1 9 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.847 0.567 17690
1641 1 9 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.325 0.353 17690
1642 1 9 . 1 1 27 27 ALA H H 27 7.939 7.939 7.898 0.041 17690
1643 1 9 . 1 1 28 28 LEU N N 28 116.982 116.982 119.409 -2.427 17690
1644 1 9 . 1 1 28 28 LEU HA H 28 3.974 3.974 4.056 -0.082 17690
1645 1 9 . 1 1 28 28 LEU CA C 28 58.076 58.076 58.088 -0.012 17690
1646 1 9 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.451 -0.039 17690
1647 1 9 . 1 1 28 28 LEU H H 28 8.051 8.051 7.590 0.461 17690
1648 1 9 . 1 1 29 29 ARG N N 29 119.663 119.663 119.696 -0.033 17690
1649 1 9 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.995 -0.027 17690
1650 1 9 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.779 0.161 17690
1651 1 9 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.019 0.212 17690
1652 1 9 . 1 1 29 29 ARG H H 29 8.185 8.185 7.640 0.545 17690
1653 1 9 . 1 1 30 30 GLN N N 30 116.955 116.955 118.060 -1.105 17690
1654 1 9 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.154 -0.115 17690
1655 1 9 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.326 0.549 17690
1656 1 9 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.513 -0.464 17690
1657 1 9 . 1 1 30 30 GLN H H 30 8.097 8.097 7.694 0.403 17690
1658 1 9 . 1 1 31 31 ILE N N 31 121.761 121.761 121.076 0.685 17690
1659 1 9 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.658 0.017 17690
1660 1 9 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.389 -0.185 17690
1661 1 9 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.947 -0.905 17690
1662 1 9 . 1 1 31 31 ILE H H 31 8.386 8.386 7.860 0.526 17690
1663 1 9 . 1 1 32 32 TYR N N 32 120.917 120.917 120.491 0.426 17690
1664 1 9 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.124 0.004 17690
1665 1 9 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.308 -1.337 17690
1666 1 9 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.603 -0.386 17690
1667 1 9 . 1 1 32 32 TYR H H 32 8.330 8.330 8.384 -0.054 17690
1668 1 9 . 1 1 33 33 LEU N N 33 117.824 117.824 118.866 -1.042 17690
1669 1 9 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.765 0.088 17690
1670 1 9 . 1 1 33 33 LEU CA C 33 57.597 57.597 58.062 -0.465 17690
1671 1 9 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.705 0.027 17690
1672 1 9 . 1 1 33 33 LEU H H 33 8.446 8.446 7.836 0.610 17690
1673 1 9 . 1 1 34 34 SER N N 34 114.939 114.939 115.145 -0.206 17690
1674 1 9 . 1 1 34 34 SER HA H 34 4.297 4.297 4.104 0.193 17690
1675 1 9 . 1 1 34 34 SER CA C 34 61.643 61.643 62.297 -0.654 17690
1676 1 9 . 1 1 34 34 SER CB C 34 63.560 63.560 62.907 0.653 17690
1677 1 9 . 1 1 34 34 SER H H 34 8.002 8.002 8.567 -0.565 17690
1678 1 9 . 1 1 35 35 GLY N N 35 110.407 110.407 110.384 0.023 17690
1679 1 9 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.858 -0.175 17690
1680 1 9 . 1 1 35 35 GLY H H 35 8.354 8.354 8.082 0.272 17690
1681 1 9 . 1 1 36 36 LEU N N 36 121.693 121.693 123.061 -1.368 17690
1682 1 9 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.927 0.086 17690
1683 1 9 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.388 -0.270 17690
1684 1 9 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.608 0.177 17690
1685 1 9 . 1 1 36 36 LEU H H 36 8.198 8.198 7.982 0.216 17690
1686 1 9 . 1 1 37 37 HIS N N 37 115.842 115.842 116.805 -0.963 17690
1687 1 9 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.386 0.178 17690
1688 1 9 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.489 -3.150 17690
1689 1 9 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.526 -0.626 17690
1690 1 9 . 1 1 37 37 HIS H H 37 7.912 7.912 8.211 -0.299 17690
1691 1 9 . 1 1 38 38 SER N N 38 114.737 114.737 115.077 -0.340 17690
1692 1 9 . 1 1 38 38 SER HA H 38 4.342 4.342 4.234 0.108 17690
1693 1 9 . 1 1 38 38 SER CA C 38 59.833 59.833 61.767 -1.935 17690
1694 1 9 . 1 1 38 38 SER CB C 38 62.868 62.868 63.322 -0.454 17690
1695 1 9 . 1 1 38 38 SER H H 38 7.871 7.871 7.718 0.153 17690
1696 1 9 . 1 1 39 39 TRP N N 39 122.888 122.888 122.080 0.808 17690
1697 1 9 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.413 0.079 17690
1698 1 9 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.879 0.037 17690
1699 1 9 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.485 -1.265 17690
1700 1 9 . 1 1 39 39 TRP H H 39 7.968 7.968 7.826 0.142 17690
1701 1 9 . 1 1 40 40 LYS N N 40 120.822 120.822 118.487 2.335 17690
1702 1 9 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.088 0.182 17690
1703 1 9 . 1 1 40 40 LYS CA C 40 56.213 56.213 55.876 0.337 17690
1704 1 9 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.032 -0.462 17690
1705 1 9 . 1 1 40 40 LYS H H 40 7.775 7.775 7.225 0.550 17690
1706 1 9 . 1 1 41 41 LYS N N 41 123.403 123.403 122.195 1.208 17690
1707 1 9 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.297 -0.098 17690
1708 1 9 . 1 1 41 41 LYS CA C 41 56.905 56.905 55.710 1.195 17690
1709 1 9 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.365 -1.168 17690
1710 1 9 . 1 1 41 41 LYS H H 41 8.087 8.087 8.201 -0.114 17690
1711 1 10 . 1 1 2 2 ALA N N 2 127.360 127.360 123.882 3.478 17690
1712 1 10 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.419 -0.090 17690
1713 1 10 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.119 0.260 17690
1714 1 10 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.597 -0.546 17690
1715 1 10 . 1 1 2 2 ALA H H 2 8.637 8.637 8.714 -0.077 17690
1716 1 10 . 1 1 3 3 GLU N N 3 121.660 121.660 122.326 -0.666 17690
1717 1 10 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.107 0.110 17690
1718 1 10 . 1 1 3 3 GLU CA C 3 56.479 56.479 58.664 -2.185 17690
1719 1 10 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.863 0.156 17690
1720 1 10 . 1 1 3 3 GLU H H 3 8.421 8.421 8.884 -0.463 17690
1721 1 10 . 1 1 4 4 ALA N N 4 125.777 125.777 120.724 5.053 17690
1722 1 10 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.117 0.145 17690
1723 1 10 . 1 1 4 4 ALA CA C 4 52.220 52.220 54.126 -1.906 17690
1724 1 10 . 1 1 4 4 ALA CB C 4 19.104 19.104 17.974 1.130 17690
1725 1 10 . 1 1 4 4 ALA H H 4 8.306 8.306 8.090 0.216 17690
1726 1 10 . 1 1 5 5 HIS N N 5 118.168 118.168 116.516 1.652 17690
1727 1 10 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.448 0.258 17690
1728 1 10 . 1 1 5 5 HIS CA C 5 54.669 54.669 57.971 -3.302 17690
1729 1 10 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.299 -1.452 17690
1730 1 10 . 1 1 5 5 HIS H H 5 8.431 8.431 7.685 0.746 17690
1731 1 10 . 1 1 6 6 GLN N N 6 122.323 122.323 118.729 3.594 17690
1732 1 10 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.560 -0.221 17690
1733 1 10 . 1 1 6 6 GLN CA C 6 55.734 55.734 54.539 1.194 17690
1734 1 10 . 1 1 6 6 GLN CB C 6 29.593 29.593 30.442 -0.849 17690
1735 1 10 . 1 1 6 6 GLN H H 6 8.337 8.337 7.562 0.775 17690
1736 1 10 . 1 1 7 7 ALA N N 7 126.205 126.205 128.191 -1.986 17690
1737 1 10 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.291 0.058 17690
1738 1 10 . 1 1 7 7 ALA CA C 7 52.060 52.060 52.302 -0.242 17690
1739 1 10 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.560 -0.296 17690
1740 1 10 . 1 1 7 7 ALA H H 7 8.374 8.374 8.410 -0.036 17690
1741 1 10 . 1 1 8 8 VAL N N 8 121.228 121.228 120.152 1.076 17690
1742 1 10 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.398 -0.433 17690
1743 1 10 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.597 0.579 17690
1744 1 10 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.636 -1.328 17690
1745 1 10 . 1 1 8 8 VAL H H 8 8.200 8.200 8.190 0.010 17690
1746 1 10 . 1 1 9 9 ALA N N 9 128.767 128.767 130.341 -1.574 17690
1747 1 10 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.745 -0.333 17690
1748 1 10 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.695 0.643 17690
1749 1 10 . 1 1 9 9 ALA CB C 9 20.225 20.225 20.237 -0.012 17690
1750 1 10 . 1 1 9 9 ALA H H 9 8.324 8.324 8.757 -0.433 17690
1751 1 10 . 1 1 10 10 PHE N N 10 115.148 115.148 117.160 -2.012 17690
1752 1 10 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.732 -0.347 17690
1753 1 10 . 1 1 10 10 PHE CA C 10 55.893 55.893 54.366 1.527 17690
1754 1 10 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.674 1.270 17690
1755 1 10 . 1 1 10 10 PHE H H 10 7.578 7.578 7.977 -0.399 17690
1756 1 10 . 1 1 11 11 GLN N N 11 123.516 123.516 122.530 0.986 17690
1757 1 10 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.554 -0.100 17690
1758 1 10 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.417 0.891 17690
1759 1 10 . 1 1 11 11 GLN CB C 11 31.771 31.771 32.895 -1.124 17690
1760 1 10 . 1 1 11 11 GLN H H 11 8.653 8.653 9.032 -0.379 17690
1761 1 10 . 1 1 12 12 PHE N N 12 126.845 126.845 125.780 1.065 17690
1762 1 10 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.606 -0.025 17690
1763 1 10 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.301 1.018 17690
1764 1 10 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.258 1.059 17690
1765 1 10 . 1 1 12 12 PHE H H 12 8.769 8.769 8.592 0.177 17690
1766 1 10 . 1 1 13 13 THR N N 13 122.078 122.078 121.161 0.917 17690
1767 1 10 . 1 1 13 13 THR HA H 13 4.492 4.492 4.429 0.063 17690
1768 1 10 . 1 1 13 13 THR CA C 13 61.111 61.111 60.394 0.717 17690
1769 1 10 . 1 1 13 13 THR CB C 13 71.757 71.757 71.812 -0.055 17690
1770 1 10 . 1 1 13 13 THR H H 13 8.724 8.724 9.182 -0.458 17690
1771 1 10 . 1 1 14 14 VAL N N 14 125.702 125.702 126.978 -1.276 17690
1772 1 10 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.595 -0.103 17690
1773 1 10 . 1 1 14 14 VAL CA C 14 60.898 60.898 60.737 0.161 17690
1774 1 10 . 1 1 14 14 VAL CB C 14 32.521 32.521 33.025 -0.504 17690
1775 1 10 . 1 1 14 14 VAL H H 14 8.573 8.573 8.472 0.101 17690
1776 1 10 . 1 1 15 15 THR N N 15 121.390 121.390 122.154 -0.764 17690
1777 1 10 . 1 1 15 15 THR CA C 15 58.895 58.895 58.743 0.152 17690
1778 1 10 . 1 1 15 15 THR CB C 15 68.453 68.453 70.922 -2.469 17690
1779 1 10 . 1 1 15 15 THR H H 15 8.888 8.888 8.889 -0.001 17690
1780 1 10 . 1 1 17 17 ASP N N 17 111.883 111.883 116.773 -4.890 17690
1781 1 10 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.578 0.200 17690
1782 1 10 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.796 -0.606 17690
1783 1 10 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.642 0.085 17690
1784 1 10 . 1 1 17 17 ASP H H 17 7.742 7.742 8.019 -0.277 17690
1785 1 10 . 1 1 18 18 GLY N N 18 110.771 110.771 107.017 3.754 17690
1786 1 10 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.069 0.655 17690
1787 1 10 . 1 1 18 18 GLY H H 18 7.461 7.461 7.852 -0.391 17690
1788 1 10 . 1 1 19 19 ILE N N 19 115.499 115.499 116.829 -1.330 17690
1789 1 10 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.300 -0.112 17690
1790 1 10 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.186 -1.329 17690
1791 1 10 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.259 -0.048 17690
1792 1 10 . 1 1 19 19 ILE H H 19 8.631 8.631 8.230 0.401 17690
1793 1 10 . 1 1 20 20 ASP N N 20 123.215 123.215 123.458 -0.243 17690
1794 1 10 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.135 0.312 17690
1795 1 10 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.797 0.275 17690
1796 1 10 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.592 -1.370 17690
1797 1 10 . 1 1 20 20 ASP H H 20 8.694 8.694 9.024 -0.330 17690
1798 1 10 . 1 1 21 21 LEU N N 21 129.031 129.031 119.862 9.169 17690
1799 1 10 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.577 -0.308 17690
1800 1 10 . 1 1 21 21 LEU CA C 21 53.764 53.764 53.593 0.171 17690
1801 1 10 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.211 0.928 17690
1802 1 10 . 1 1 21 21 LEU H H 21 9.421 9.421 8.386 1.035 17690
1803 1 10 . 1 1 22 22 ARG N N 22 124.860 124.860 123.380 1.480 17690
1804 1 10 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.770 0.615 17690
1805 1 10 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.912 -0.509 17690
1806 1 10 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.519 -0.679 17690
1807 1 10 . 1 1 22 22 ARG H H 22 8.862 8.862 9.018 -0.156 17690
1808 1 10 . 1 1 23 23 LEU N N 23 122.825 122.825 120.788 2.037 17690
1809 1 10 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.387 -0.118 17690
1810 1 10 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.611 -1.445 17690
1811 1 10 . 1 1 23 23 LEU CB C 23 45.454 45.454 44.768 0.686 17690
1812 1 10 . 1 1 23 23 LEU H H 23 8.149 8.149 8.446 -0.297 17690
1813 1 10 . 1 1 24 24 SER N N 24 118.505 118.505 116.795 1.710 17690
1814 1 10 . 1 1 24 24 SER HA H 24 4.189 4.189 4.494 -0.305 17690
1815 1 10 . 1 1 24 24 SER CA C 24 57.331 57.331 57.836 -0.505 17690
1816 1 10 . 1 1 24 24 SER CB C 24 64.678 64.678 64.656 0.021 17690
1817 1 10 . 1 1 24 24 SER H H 24 8.428 8.428 8.065 0.363 17690
1818 1 10 . 1 1 25 25 HIS N N 25 120.283 120.283 123.096 -2.813 17690
1819 1 10 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.278 0.215 17690
1820 1 10 . 1 1 25 25 HIS CA C 25 59.993 59.993 59.627 0.366 17690
1821 1 10 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.828 -0.022 17690
1822 1 10 . 1 1 25 25 HIS H H 25 8.280 8.280 8.656 -0.376 17690
1823 1 10 . 1 1 26 26 GLU N N 26 120.235 120.235 118.753 1.482 17690
1824 1 10 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.165 0.141 17690
1825 1 10 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.933 -0.112 17690
1826 1 10 . 1 1 26 26 GLU CB C 26 28.794 28.794 28.885 -0.091 17690
1827 1 10 . 1 1 26 26 GLU H H 26 8.605 8.605 8.801 -0.196 17690
1828 1 10 . 1 1 27 27 ALA N N 27 123.290 123.290 122.471 0.819 17690
1829 1 10 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.122 -0.092 17690
1830 1 10 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.876 0.538 17690
1831 1 10 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.174 0.504 17690
1832 1 10 . 1 1 27 27 ALA H H 27 7.939 7.939 7.985 -0.046 17690
1833 1 10 . 1 1 28 28 LEU N N 28 116.982 116.982 118.980 -1.998 17690
1834 1 10 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.992 -0.018 17690
1835 1 10 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.722 0.354 17690
1836 1 10 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.590 -0.178 17690
1837 1 10 . 1 1 28 28 LEU H H 28 8.051 8.051 7.581 0.470 17690
1838 1 10 . 1 1 29 29 ARG N N 29 119.663 119.663 119.628 0.035 17690
1839 1 10 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.972 -0.004 17690
1840 1 10 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.818 0.121 17690
1841 1 10 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.046 0.186 17690
1842 1 10 . 1 1 29 29 ARG H H 29 8.185 8.185 7.722 0.463 17690
1843 1 10 . 1 1 30 30 GLN N N 30 116.955 116.955 118.579 -1.624 17690
1844 1 10 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.135 -0.096 17690
1845 1 10 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.880 -0.005 17690
1846 1 10 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.816 -0.767 17690
1847 1 10 . 1 1 30 30 GLN H H 30 8.097 8.097 7.784 0.313 17690
1848 1 10 . 1 1 31 31 ILE N N 31 121.761 121.761 121.548 0.213 17690
1849 1 10 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.769 -0.094 17690
1850 1 10 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.372 -0.168 17690
1851 1 10 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.174 -1.132 17690
1852 1 10 . 1 1 31 31 ILE H H 31 8.386 8.386 7.852 0.534 17690
1853 1 10 . 1 1 32 32 TYR N N 32 120.917 120.917 120.367 0.550 17690
1854 1 10 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.067 0.061 17690
1855 1 10 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.464 -1.493 17690
1856 1 10 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.615 -0.398 17690
1857 1 10 . 1 1 32 32 TYR H H 32 8.330 8.330 8.249 0.081 17690
1858 1 10 . 1 1 33 33 LEU N N 33 117.824 117.824 118.582 -0.758 17690
1859 1 10 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.678 0.175 17690
1860 1 10 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.974 -0.377 17690
1861 1 10 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.783 -0.052 17690
1862 1 10 . 1 1 33 33 LEU H H 33 8.446 8.446 7.845 0.601 17690
1863 1 10 . 1 1 34 34 SER N N 34 114.939 114.939 114.348 0.591 17690
1864 1 10 . 1 1 34 34 SER HA H 34 4.297 4.297 4.216 0.081 17690
1865 1 10 . 1 1 34 34 SER CA C 34 61.643 61.643 61.409 0.234 17690
1866 1 10 . 1 1 34 34 SER CB C 34 63.560 63.560 62.817 0.743 17690
1867 1 10 . 1 1 34 34 SER H H 34 8.002 8.002 8.640 -0.638 17690
1868 1 10 . 1 1 35 35 GLY N N 35 110.407 110.407 110.102 0.305 17690
1869 1 10 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.596 0.087 17690
1870 1 10 . 1 1 35 35 GLY H H 35 8.354 8.354 7.982 0.372 17690
1871 1 10 . 1 1 36 36 LEU N N 36 121.693 121.693 123.155 -1.462 17690
1872 1 10 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.793 0.220 17690
1873 1 10 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.302 -0.184 17690
1874 1 10 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.374 0.411 17690
1875 1 10 . 1 1 36 36 LEU H H 36 8.198 8.198 7.946 0.252 17690
1876 1 10 . 1 1 37 37 HIS N N 37 115.842 115.842 115.995 -0.153 17690
1877 1 10 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.398 0.166 17690
1878 1 10 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.745 -2.406 17690
1879 1 10 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.557 -0.657 17690
1880 1 10 . 1 1 37 37 HIS H H 37 7.912 7.912 8.103 -0.191 17690
1881 1 10 . 1 1 38 38 SER N N 38 114.737 114.737 113.920 0.817 17690
1882 1 10 . 1 1 38 38 SER HA H 38 4.342 4.342 4.319 0.022 17690
1883 1 10 . 1 1 38 38 SER CA C 38 59.833 59.833 61.001 -1.168 17690
1884 1 10 . 1 1 38 38 SER CB C 38 62.868 62.868 63.437 -0.569 17690
1885 1 10 . 1 1 38 38 SER H H 38 7.871 7.871 7.638 0.233 17690
1886 1 10 . 1 1 39 39 TRP N N 39 122.888 122.888 122.131 0.757 17690
1887 1 10 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.403 0.089 17690
1888 1 10 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.829 0.087 17690
1889 1 10 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.356 -1.136 17690
1890 1 10 . 1 1 39 39 TRP H H 39 7.968 7.968 7.759 0.209 17690
1891 1 10 . 1 1 40 40 LYS N N 40 120.822 120.822 118.877 1.945 17690
1892 1 10 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.079 0.191 17690
1893 1 10 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.346 -0.133 17690
1894 1 10 . 1 1 40 40 LYS CB C 40 32.570 32.570 32.975 -0.405 17690
1895 1 10 . 1 1 40 40 LYS H H 40 7.775 7.775 7.401 0.374 17690
1896 1 10 . 1 1 41 41 LYS N N 41 123.403 123.403 121.888 1.515 17690
1897 1 10 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.298 -0.099 17690
1898 1 10 . 1 1 41 41 LYS CA C 41 56.905 56.905 55.616 1.289 17690
1899 1 10 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.423 -1.226 17690
1900 1 10 . 1 1 41 41 LYS H H 41 8.087 8.087 8.165 -0.078 17690
1901 1 11 . 1 1 2 2 ALA N N 2 127.360 127.360 123.553 3.807 17690
1902 1 11 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.235 0.094 17690
1903 1 11 . 1 1 2 2 ALA CA C 2 52.379 52.379 53.197 -0.818 17690
1904 1 11 . 1 1 2 2 ALA CB C 2 19.051 19.051 18.729 0.322 17690
1905 1 11 . 1 1 2 2 ALA H H 2 8.637 8.637 8.198 0.439 17690
1906 1 11 . 1 1 3 3 GLU N N 3 121.660 121.660 119.048 2.612 17690
1907 1 11 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.281 -0.064 17690
1908 1 11 . 1 1 3 3 GLU CA C 3 56.479 56.479 55.946 0.533 17690
1909 1 11 . 1 1 3 3 GLU CB C 3 30.019 30.019 30.245 -0.226 17690
1910 1 11 . 1 1 3 3 GLU H H 3 8.421 8.421 7.999 0.422 17690
1911 1 11 . 1 1 4 4 ALA N N 4 125.777 125.777 126.462 -0.685 17690
1912 1 11 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.032 0.230 17690
1913 1 11 . 1 1 4 4 ALA CA C 4 52.220 52.220 53.848 -1.628 17690
1914 1 11 . 1 1 4 4 ALA CB C 4 19.104 19.104 18.912 0.192 17690
1915 1 11 . 1 1 4 4 ALA H H 4 8.306 8.306 8.539 -0.233 17690
1916 1 11 . 1 1 5 5 HIS N N 5 118.168 118.168 117.417 0.751 17690
1917 1 11 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.688 0.018 17690
1918 1 11 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.416 -0.747 17690
1919 1 11 . 1 1 5 5 HIS CB C 5 28.847 28.847 31.175 -2.328 17690
1920 1 11 . 1 1 5 5 HIS H H 5 8.431 8.431 8.214 0.217 17690
1921 1 11 . 1 1 6 6 GLN N N 6 122.323 122.323 123.736 -1.413 17690
1922 1 11 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.129 0.210 17690
1923 1 11 . 1 1 6 6 GLN CA C 6 55.734 55.734 57.031 -1.297 17690
1924 1 11 . 1 1 6 6 GLN CB C 6 29.593 29.593 28.881 0.712 17690
1925 1 11 . 1 1 6 6 GLN H H 6 8.337 8.337 8.830 -0.493 17690
1926 1 11 . 1 1 7 7 ALA N N 7 126.205 126.205 122.792 3.413 17690
1927 1 11 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.508 -0.159 17690
1928 1 11 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.462 0.598 17690
1929 1 11 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.454 -1.190 17690
1930 1 11 . 1 1 7 7 ALA H H 7 8.374 8.374 7.702 0.672 17690
1931 1 11 . 1 1 8 8 VAL N N 8 121.228 121.228 120.889 0.339 17690
1932 1 11 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.305 -0.340 17690
1933 1 11 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.740 0.436 17690
1934 1 11 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.343 -2.035 17690
1935 1 11 . 1 1 8 8 VAL H H 8 8.200 8.200 8.562 -0.362 17690
1936 1 11 . 1 1 9 9 ALA N N 9 128.767 128.767 129.687 -0.920 17690
1937 1 11 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.012 0.400 17690
1938 1 11 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.898 -0.560 17690
1939 1 11 . 1 1 9 9 ALA CB C 9 20.225 20.225 18.358 1.867 17690
1940 1 11 . 1 1 9 9 ALA H H 9 8.324 8.324 8.641 -0.317 17690
1941 1 11 . 1 1 10 10 PHE N N 10 115.148 115.148 112.464 2.684 17690
1942 1 11 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.730 -0.345 17690
1943 1 11 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.713 2.180 17690
1944 1 11 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.596 1.348 17690
1945 1 11 . 1 1 10 10 PHE H H 10 7.578 7.578 7.671 -0.093 17690
1946 1 11 . 1 1 11 11 GLN N N 11 123.516 123.516 120.741 2.775 17690
1947 1 11 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.852 -0.398 17690
1948 1 11 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.679 0.629 17690
1949 1 11 . 1 1 11 11 GLN CB C 11 31.771 31.771 32.995 -1.224 17690
1950 1 11 . 1 1 11 11 GLN H H 11 8.653 8.653 9.191 -0.538 17690
1951 1 11 . 1 1 12 12 PHE N N 12 126.845 126.845 126.279 0.566 17690
1952 1 11 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.715 -0.134 17690
1953 1 11 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.353 0.966 17690
1954 1 11 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.402 0.915 17690
1955 1 11 . 1 1 12 12 PHE H H 12 8.769 8.769 8.822 -0.053 17690
1956 1 11 . 1 1 13 13 THR N N 13 122.078 122.078 123.900 -1.822 17690
1957 1 11 . 1 1 13 13 THR HA H 13 4.492 4.492 4.432 0.060 17690
1958 1 11 . 1 1 13 13 THR CA C 13 61.111 61.111 61.259 -0.148 17690
1959 1 11 . 1 1 13 13 THR CB C 13 71.757 71.757 71.909 -0.152 17690
1960 1 11 . 1 1 13 13 THR H H 13 8.724 8.724 9.286 -0.562 17690
1961 1 11 . 1 1 14 14 VAL N N 14 125.702 125.702 127.626 -1.924 17690
1962 1 11 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.535 -0.043 17690
1963 1 11 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.934 -1.036 17690
1964 1 11 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.868 -0.347 17690
1965 1 11 . 1 1 14 14 VAL H H 14 8.573 8.573 8.466 0.107 17690
1966 1 11 . 1 1 15 15 THR N N 15 121.390 121.390 121.413 -0.023 17690
1967 1 11 . 1 1 15 15 THR CA C 15 58.895 58.895 58.561 0.334 17690
1968 1 11 . 1 1 15 15 THR CB C 15 68.453 68.453 70.910 -2.457 17690
1969 1 11 . 1 1 15 15 THR H H 15 8.888 8.888 8.784 0.104 17690
1970 1 11 . 1 1 17 17 ASP N N 17 111.883 111.883 116.913 -5.030 17690
1971 1 11 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.580 0.198 17690
1972 1 11 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.733 -0.543 17690
1973 1 11 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.617 0.110 17690
1974 1 11 . 1 1 17 17 ASP H H 17 7.742 7.742 7.965 -0.223 17690
1975 1 11 . 1 1 18 18 GLY N N 18 110.771 110.771 106.970 3.801 17690
1976 1 11 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.089 0.635 17690
1977 1 11 . 1 1 18 18 GLY H H 18 7.461 7.461 7.895 -0.434 17690
1978 1 11 . 1 1 19 19 ILE N N 19 115.499 115.499 116.425 -0.926 17690
1979 1 11 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.326 -0.138 17690
1980 1 11 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.273 -1.416 17690
1981 1 11 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.101 0.110 17690
1982 1 11 . 1 1 19 19 ILE H H 19 8.631 8.631 8.213 0.418 17690
1983 1 11 . 1 1 20 20 ASP N N 20 123.215 123.215 124.918 -1.703 17690
1984 1 11 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.102 0.345 17690
1985 1 11 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.220 -0.148 17690
1986 1 11 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.006 -0.784 17690
1987 1 11 . 1 1 20 20 ASP H H 20 8.694 8.694 9.039 -0.345 17690
1988 1 11 . 1 1 21 21 LEU N N 21 129.031 129.031 122.534 6.497 17690
1989 1 11 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.271 -0.002 17690
1990 1 11 . 1 1 21 21 LEU CA C 21 53.764 53.764 53.881 -0.117 17690
1991 1 11 . 1 1 21 21 LEU CB C 21 45.139 45.139 43.755 1.384 17690
1992 1 11 . 1 1 21 21 LEU H H 21 9.421 9.421 8.693 0.728 17690
1993 1 11 . 1 1 22 22 ARG N N 22 124.860 124.860 124.552 0.308 17690
1994 1 11 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.824 0.561 17690
1995 1 11 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.885 -0.482 17690
1996 1 11 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.438 -0.598 17690
1997 1 11 . 1 1 22 22 ARG H H 22 8.862 8.862 9.183 -0.321 17690
1998 1 11 . 1 1 23 23 LEU N N 23 122.825 122.825 123.712 -0.887 17690
1999 1 11 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.184 0.085 17690
2000 1 11 . 1 1 23 23 LEU CA C 23 52.166 52.166 54.145 -1.980 17690
2001 1 11 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.183 0.271 17690
2002 1 11 . 1 1 23 23 LEU H H 23 8.149 8.149 8.514 -0.365 17690
2003 1 11 . 1 1 24 24 SER N N 24 118.505 118.505 117.157 1.348 17690
2004 1 11 . 1 1 24 24 SER HA H 24 4.189 4.189 4.574 -0.385 17690
2005 1 11 . 1 1 24 24 SER CA C 24 57.331 57.331 57.903 -0.572 17690
2006 1 11 . 1 1 24 24 SER CB C 24 64.678 64.678 64.678 -0.000 17690
2007 1 11 . 1 1 24 24 SER H H 24 8.428 8.428 8.136 0.292 17690
2008 1 11 . 1 1 25 25 HIS N N 25 120.283 120.283 122.396 -2.113 17690
2009 1 11 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.238 0.255 17690
2010 1 11 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.172 -0.179 17690
2011 1 11 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.855 -0.049 17690
2012 1 11 . 1 1 25 25 HIS H H 25 8.280 8.280 8.980 -0.700 17690
2013 1 11 . 1 1 26 26 GLU N N 26 120.235 120.235 119.255 0.980 17690
2014 1 11 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.084 0.222 17690
2015 1 11 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.855 -0.034 17690
2016 1 11 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.203 -0.409 17690
2017 1 11 . 1 1 26 26 GLU H H 26 8.605 8.605 8.884 -0.279 17690
2018 1 11 . 1 1 27 27 ALA N N 27 123.290 123.290 122.471 0.819 17690
2019 1 11 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.013 0.017 17690
2020 1 11 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.726 0.688 17690
2021 1 11 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.096 0.582 17690
2022 1 11 . 1 1 27 27 ALA H H 27 7.939 7.939 7.783 0.156 17690
2023 1 11 . 1 1 28 28 LEU N N 28 116.982 116.982 118.567 -1.585 17690
2024 1 11 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.921 0.053 17690
2025 1 11 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.774 0.302 17690
2026 1 11 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.493 -0.082 17690
2027 1 11 . 1 1 28 28 LEU H H 28 8.051 8.051 7.511 0.540 17690
2028 1 11 . 1 1 29 29 ARG N N 29 119.663 119.663 119.244 0.419 17690
2029 1 11 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.977 -0.009 17690
2030 1 11 . 1 1 29 29 ARG CA C 29 59.939 59.939 60.075 -0.136 17690
2031 1 11 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.927 0.304 17690
2032 1 11 . 1 1 29 29 ARG H H 29 8.185 8.185 7.677 0.508 17690
2033 1 11 . 1 1 30 30 GLN N N 30 116.955 116.955 118.214 -1.259 17690
2034 1 11 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.030 0.009 17690
2035 1 11 . 1 1 30 30 GLN CA C 30 58.875 58.875 59.097 -0.222 17690
2036 1 11 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.792 -0.743 17690
2037 1 11 . 1 1 30 30 GLN H H 30 8.097 8.097 7.703 0.394 17690
2038 1 11 . 1 1 31 31 ILE N N 31 121.761 121.761 121.271 0.490 17690
2039 1 11 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.832 -0.157 17690
2040 1 11 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.140 0.064 17690
2041 1 11 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.233 -1.191 17690
2042 1 11 . 1 1 31 31 ILE H H 31 8.386 8.386 7.864 0.522 17690
2043 1 11 . 1 1 32 32 TYR N N 32 120.917 120.917 121.141 -0.224 17690
2044 1 11 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.125 0.003 17690
2045 1 11 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.269 -1.298 17690
2046 1 11 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.577 -0.360 17690
2047 1 11 . 1 1 32 32 TYR H H 32 8.330 8.330 8.327 0.003 17690
2048 1 11 . 1 1 33 33 LEU N N 33 117.824 117.824 118.480 -0.656 17690
2049 1 11 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.639 0.214 17690
2050 1 11 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.931 -0.334 17690
2051 1 11 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.652 0.079 17690
2052 1 11 . 1 1 33 33 LEU H H 33 8.446 8.446 7.935 0.511 17690
2053 1 11 . 1 1 34 34 SER N N 34 114.939 114.939 114.962 -0.023 17690
2054 1 11 . 1 1 34 34 SER HA H 34 4.297 4.297 4.277 0.020 17690
2055 1 11 . 1 1 34 34 SER CA C 34 61.643 61.643 61.719 -0.076 17690
2056 1 11 . 1 1 34 34 SER CB C 34 63.560 63.560 62.242 1.318 17690
2057 1 11 . 1 1 34 34 SER H H 34 8.002 8.002 8.448 -0.446 17690
2058 1 11 . 1 1 35 35 GLY N N 35 110.407 110.407 109.911 0.496 17690
2059 1 11 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.348 0.335 17690
2060 1 11 . 1 1 35 35 GLY H H 35 8.354 8.354 7.679 0.675 17690
2061 1 11 . 1 1 36 36 LEU N N 36 121.693 121.693 121.624 0.069 17690
2062 1 11 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.826 0.187 17690
2063 1 11 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.037 0.081 17690
2064 1 11 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.474 0.311 17690
2065 1 11 . 1 1 36 36 LEU H H 36 8.198 8.198 7.482 0.716 17690
2066 1 11 . 1 1 37 37 HIS N N 37 115.842 115.842 117.100 -1.258 17690
2067 1 11 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.520 0.044 17690
2068 1 11 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.762 -2.423 17690
2069 1 11 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.446 -0.546 17690
2070 1 11 . 1 1 37 37 HIS H H 37 7.912 7.912 8.145 -0.233 17690
2071 1 11 . 1 1 38 38 SER N N 38 114.737 114.737 115.056 -0.319 17690
2072 1 11 . 1 1 38 38 SER HA H 38 4.342 4.342 4.304 0.038 17690
2073 1 11 . 1 1 38 38 SER CA C 38 59.833 59.833 60.305 -0.472 17690
2074 1 11 . 1 1 38 38 SER CB C 38 62.868 62.868 62.027 0.841 17690
2075 1 11 . 1 1 38 38 SER H H 38 7.871 7.871 7.818 0.053 17690
2076 1 11 . 1 1 39 39 TRP N N 39 122.888 122.888 122.366 0.522 17690
2077 1 11 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.393 0.099 17690
2078 1 11 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.989 -0.073 17690
2079 1 11 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.098 -0.878 17690
2080 1 11 . 1 1 39 39 TRP H H 39 7.968 7.968 7.303 0.665 17690
2081 1 11 . 1 1 40 40 LYS N N 40 120.822 120.822 120.322 0.500 17690
2082 1 11 . 1 1 40 40 LYS HA H 40 4.270 4.270 3.951 0.319 17690
2083 1 11 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.611 -0.398 17690
2084 1 11 . 1 1 40 40 LYS CB C 40 32.570 32.570 31.531 1.039 17690
2085 1 11 . 1 1 40 40 LYS H H 40 7.775 7.775 7.699 0.076 17690
2086 1 11 . 1 1 41 41 LYS N N 41 123.403 123.403 122.628 0.775 17690
2087 1 11 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.439 -0.240 17690
2088 1 11 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.123 0.782 17690
2089 1 11 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.311 -1.114 17690
2090 1 11 . 1 1 41 41 LYS H H 41 8.087 8.087 8.290 -0.203 17690
2091 1 12 . 1 1 2 2 ALA N N 2 127.360 127.360 123.389 3.971 17690
2092 1 12 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.200 0.129 17690
2093 1 12 . 1 1 2 2 ALA CA C 2 52.379 52.379 53.058 -0.679 17690
2094 1 12 . 1 1 2 2 ALA CB C 2 19.051 19.051 18.882 0.169 17690
2095 1 12 . 1 1 2 2 ALA H H 2 8.637 8.637 8.068 0.569 17690
2096 1 12 . 1 1 3 3 GLU N N 3 121.660 121.660 119.833 1.827 17690
2097 1 12 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.321 -0.104 17690
2098 1 12 . 1 1 3 3 GLU CA C 3 56.479 56.479 55.622 0.857 17690
2099 1 12 . 1 1 3 3 GLU CB C 3 30.019 30.019 30.149 -0.130 17690
2100 1 12 . 1 1 3 3 GLU H H 3 8.421 8.421 8.191 0.230 17690
2101 1 12 . 1 1 4 4 ALA N N 4 125.777 125.777 127.025 -1.248 17690
2102 1 12 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.398 -0.136 17690
2103 1 12 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.486 -0.266 17690
2104 1 12 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.826 -0.722 17690
2105 1 12 . 1 1 4 4 ALA H H 4 8.306 8.306 8.246 0.060 17690
2106 1 12 . 1 1 5 5 HIS N N 5 118.168 118.168 120.287 -2.119 17690
2107 1 12 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.800 -0.094 17690
2108 1 12 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.873 -1.204 17690
2109 1 12 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.843 -1.996 17690
2110 1 12 . 1 1 5 5 HIS H H 5 8.431 8.431 8.525 -0.094 17690
2111 1 12 . 1 1 6 6 GLN N N 6 122.323 122.323 123.905 -1.582 17690
2112 1 12 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.499 -0.160 17690
2113 1 12 . 1 1 6 6 GLN CA C 6 55.734 55.734 54.938 0.797 17690
2114 1 12 . 1 1 6 6 GLN CB C 6 29.593 29.593 31.564 -1.971 17690
2115 1 12 . 1 1 6 6 GLN H H 6 8.337 8.337 8.048 0.289 17690
2116 1 12 . 1 1 7 7 ALA N N 7 126.205 126.205 124.481 1.724 17690
2117 1 12 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.580 -0.231 17690
2118 1 12 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.371 0.689 17690
2119 1 12 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.651 -0.387 17690
2120 1 12 . 1 1 7 7 ALA H H 7 8.374 8.374 8.262 0.112 17690
2121 1 12 . 1 1 8 8 VAL N N 8 121.228 121.228 119.881 1.347 17690
2122 1 12 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.533 -0.568 17690
2123 1 12 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.358 0.817 17690
2124 1 12 . 1 1 8 8 VAL CB C 8 32.308 32.308 32.984 -0.676 17690
2125 1 12 . 1 1 8 8 VAL H H 8 8.200 8.200 8.413 -0.213 17690
2126 1 12 . 1 1 9 9 ALA N N 9 128.767 128.767 128.965 -0.198 17690
2127 1 12 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.500 -0.088 17690
2128 1 12 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.154 0.184 17690
2129 1 12 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.642 0.583 17690
2130 1 12 . 1 1 9 9 ALA H H 9 8.324 8.324 8.740 -0.416 17690
2131 1 12 . 1 1 10 10 PHE N N 10 115.148 115.148 115.727 -0.579 17690
2132 1 12 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.768 -0.383 17690
2133 1 12 . 1 1 10 10 PHE CA C 10 55.893 55.893 54.069 1.823 17690
2134 1 12 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.698 1.246 17690
2135 1 12 . 1 1 10 10 PHE H H 10 7.578 7.578 7.978 -0.400 17690
2136 1 12 . 1 1 11 11 GLN N N 11 123.516 123.516 122.704 0.812 17690
2137 1 12 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.554 -0.100 17690
2138 1 12 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.440 0.868 17690
2139 1 12 . 1 1 11 11 GLN CB C 11 31.771 31.771 32.825 -1.054 17690
2140 1 12 . 1 1 11 11 GLN H H 11 8.653 8.653 9.075 -0.422 17690
2141 1 12 . 1 1 12 12 PHE N N 12 126.845 126.845 126.863 -0.018 17690
2142 1 12 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.615 -0.034 17690
2143 1 12 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.041 1.278 17690
2144 1 12 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.207 1.110 17690
2145 1 12 . 1 1 12 12 PHE H H 12 8.769 8.769 8.587 0.182 17690
2146 1 12 . 1 1 13 13 THR N N 13 122.078 122.078 121.477 0.601 17690
2147 1 12 . 1 1 13 13 THR HA H 13 4.492 4.492 4.371 0.121 17690
2148 1 12 . 1 1 13 13 THR CA C 13 61.111 61.111 60.937 0.174 17690
2149 1 12 . 1 1 13 13 THR CB C 13 71.757 71.757 71.544 0.213 17690
2150 1 12 . 1 1 13 13 THR H H 13 8.724 8.724 9.249 -0.525 17690
2151 1 12 . 1 1 14 14 VAL N N 14 125.702 125.702 126.723 -1.021 17690
2152 1 12 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.533 -0.041 17690
2153 1 12 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.654 -0.756 17690
2154 1 12 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.433 0.088 17690
2155 1 12 . 1 1 14 14 VAL H H 14 8.573 8.573 8.431 0.142 17690
2156 1 12 . 1 1 15 15 THR N N 15 121.390 121.390 122.798 -1.408 17690
2157 1 12 . 1 1 15 15 THR CA C 15 58.895 58.895 58.729 0.166 17690
2158 1 12 . 1 1 15 15 THR CB C 15 68.453 68.453 69.060 -0.607 17690
2159 1 12 . 1 1 15 15 THR H H 15 8.888 8.888 8.828 0.060 17690
2160 1 12 . 1 1 17 17 ASP N N 17 111.883 111.883 117.559 -5.676 17690
2161 1 12 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.635 0.143 17690
2162 1 12 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.327 -0.137 17690
2163 1 12 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.279 0.448 17690
2164 1 12 . 1 1 17 17 ASP H H 17 7.742 7.742 8.384 -0.642 17690
2165 1 12 . 1 1 18 18 GLY N N 18 110.771 110.771 107.222 3.549 17690
2166 1 12 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.108 0.616 17690
2167 1 12 . 1 1 18 18 GLY H H 18 7.461 7.461 7.844 -0.383 17690
2168 1 12 . 1 1 19 19 ILE N N 19 115.499 115.499 116.546 -1.047 17690
2169 1 12 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.305 -0.117 17690
2170 1 12 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.321 -1.464 17690
2171 1 12 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.048 0.163 17690
2172 1 12 . 1 1 19 19 ILE H H 19 8.631 8.631 8.226 0.405 17690
2173 1 12 . 1 1 20 20 ASP N N 20 123.215 123.215 124.371 -1.156 17690
2174 1 12 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.116 0.331 17690
2175 1 12 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.221 -0.149 17690
2176 1 12 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.864 -1.642 17690
2177 1 12 . 1 1 20 20 ASP H H 20 8.694 8.694 9.059 -0.365 17690
2178 1 12 . 1 1 21 21 LEU N N 21 129.031 129.031 122.364 6.667 17690
2179 1 12 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.346 -0.077 17690
2180 1 12 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.471 -0.707 17690
2181 1 12 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.904 0.235 17690
2182 1 12 . 1 1 21 21 LEU H H 21 9.421 9.421 8.624 0.797 17690
2183 1 12 . 1 1 22 22 ARG N N 22 124.860 124.860 124.448 0.412 17690
2184 1 12 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.875 0.510 17690
2185 1 12 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.925 -0.522 17690
2186 1 12 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.067 -0.227 17690
2187 1 12 . 1 1 22 22 ARG H H 22 8.862 8.862 9.091 -0.229 17690
2188 1 12 . 1 1 23 23 LEU N N 23 122.825 122.825 123.434 -0.609 17690
2189 1 12 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.285 -0.016 17690
2190 1 12 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.907 -1.741 17690
2191 1 12 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.550 -0.096 17690
2192 1 12 . 1 1 23 23 LEU H H 23 8.149 8.149 8.619 -0.470 17690
2193 1 12 . 1 1 24 24 SER N N 24 118.505 118.505 118.537 -0.032 17690
2194 1 12 . 1 1 24 24 SER HA H 24 4.189 4.189 4.585 -0.396 17690
2195 1 12 . 1 1 24 24 SER CA C 24 57.331 57.331 57.645 -0.314 17690
2196 1 12 . 1 1 24 24 SER CB C 24 64.678 64.678 65.297 -0.619 17690
2197 1 12 . 1 1 24 24 SER H H 24 8.428 8.428 8.601 -0.173 17690
2198 1 12 . 1 1 25 25 HIS N N 25 120.283 120.283 122.205 -1.922 17690
2199 1 12 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.274 0.219 17690
2200 1 12 . 1 1 25 25 HIS CA C 25 59.993 59.993 58.888 1.105 17690
2201 1 12 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.783 0.023 17690
2202 1 12 . 1 1 25 25 HIS H H 25 8.280 8.280 8.766 -0.486 17690
2203 1 12 . 1 1 26 26 GLU N N 26 120.235 120.235 120.142 0.093 17690
2204 1 12 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.100 0.206 17690
2205 1 12 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.690 0.131 17690
2206 1 12 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.522 -0.728 17690
2207 1 12 . 1 1 26 26 GLU H H 26 8.605 8.605 7.953 0.652 17690
2208 1 12 . 1 1 27 27 ALA N N 27 123.290 123.290 122.133 1.157 17690
2209 1 12 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.123 -0.093 17690
2210 1 12 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.983 0.431 17690
2211 1 12 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.284 0.394 17690
2212 1 12 . 1 1 27 27 ALA H H 27 7.939 7.939 7.814 0.125 17690
2213 1 12 . 1 1 28 28 LEU N N 28 116.982 116.982 118.926 -1.944 17690
2214 1 12 . 1 1 28 28 LEU HA H 28 3.974 3.974 4.013 -0.039 17690
2215 1 12 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.616 0.460 17690
2216 1 12 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.550 -0.138 17690
2217 1 12 . 1 1 28 28 LEU H H 28 8.051 8.051 7.629 0.422 17690
2218 1 12 . 1 1 29 29 ARG N N 29 119.663 119.663 119.854 -0.191 17690
2219 1 12 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.954 0.014 17690
2220 1 12 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.877 0.062 17690
2221 1 12 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.022 0.209 17690
2222 1 12 . 1 1 29 29 ARG H H 29 8.185 8.185 7.757 0.428 17690
2223 1 12 . 1 1 30 30 GLN N N 30 116.955 116.955 118.754 -1.799 17690
2224 1 12 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.161 -0.122 17690
2225 1 12 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.944 -0.070 17690
2226 1 12 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.249 -0.200 17690
2227 1 12 . 1 1 30 30 GLN H H 30 8.097 8.097 7.802 0.295 17690
2228 1 12 . 1 1 31 31 ILE N N 31 121.761 121.761 121.109 0.652 17690
2229 1 12 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.723 -0.048 17690
2230 1 12 . 1 1 31 31 ILE CA C 31 65.204 65.204 64.835 0.368 17690
2231 1 12 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.445 -0.403 17690
2232 1 12 . 1 1 31 31 ILE H H 31 8.386 8.386 7.796 0.590 17690
2233 1 12 . 1 1 32 32 TYR N N 32 120.917 120.917 121.020 -0.103 17690
2234 1 12 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.111 0.017 17690
2235 1 12 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.540 -1.569 17690
2236 1 12 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.455 -0.237 17690
2237 1 12 . 1 1 32 32 TYR H H 32 8.330 8.330 8.359 -0.029 17690
2238 1 12 . 1 1 33 33 LEU N N 33 117.824 117.824 118.834 -1.010 17690
2239 1 12 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.692 0.161 17690
2240 1 12 . 1 1 33 33 LEU CA C 33 57.597 57.597 58.080 -0.482 17690
2241 1 12 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.649 0.082 17690
2242 1 12 . 1 1 33 33 LEU H H 33 8.446 8.446 7.809 0.637 17690
2243 1 12 . 1 1 34 34 SER N N 34 114.939 114.939 114.898 0.041 17690
2244 1 12 . 1 1 34 34 SER HA H 34 4.297 4.297 4.172 0.125 17690
2245 1 12 . 1 1 34 34 SER CA C 34 61.643 61.643 62.201 -0.558 17690
2246 1 12 . 1 1 34 34 SER CB C 34 63.560 63.560 62.855 0.705 17690
2247 1 12 . 1 1 34 34 SER H H 34 8.002 8.002 8.653 -0.651 17690
2248 1 12 . 1 1 35 35 GLY N N 35 110.407 110.407 110.546 -0.139 17690
2249 1 12 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.742 -0.060 17690
2250 1 12 . 1 1 35 35 GLY H H 35 8.354 8.354 8.236 0.118 17690
2251 1 12 . 1 1 36 36 LEU N N 36 121.693 121.693 123.095 -1.402 17690
2252 1 12 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.825 0.188 17690
2253 1 12 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.436 -0.318 17690
2254 1 12 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.429 0.356 17690
2255 1 12 . 1 1 36 36 LEU H H 36 8.198 8.198 8.070 0.128 17690
2256 1 12 . 1 1 37 37 HIS N N 37 115.842 115.842 116.629 -0.787 17690
2257 1 12 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.416 0.148 17690
2258 1 12 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.005 -2.666 17690
2259 1 12 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.886 -0.986 17690
2260 1 12 . 1 1 37 37 HIS H H 37 7.912 7.912 7.973 -0.061 17690
2261 1 12 . 1 1 38 38 SER N N 38 114.737 114.737 114.826 -0.089 17690
2262 1 12 . 1 1 38 38 SER HA H 38 4.342 4.342 4.262 0.080 17690
2263 1 12 . 1 1 38 38 SER CA C 38 59.833 59.833 61.011 -1.178 17690
2264 1 12 . 1 1 38 38 SER CB C 38 62.868 62.868 63.248 -0.380 17690
2265 1 12 . 1 1 38 38 SER H H 38 7.871 7.871 7.708 0.163 17690
2266 1 12 . 1 1 39 39 TRP N N 39 122.888 122.888 122.015 0.873 17690
2267 1 12 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.430 0.062 17690
2268 1 12 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.955 -0.039 17690
2269 1 12 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.205 -0.985 17690
2270 1 12 . 1 1 39 39 TRP H H 39 7.968 7.968 7.878 0.090 17690
2271 1 12 . 1 1 40 40 LYS N N 40 120.822 120.822 117.312 3.510 17690
2272 1 12 . 1 1 40 40 LYS HA H 40 4.270 4.270 3.812 0.458 17690
2273 1 12 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.942 -0.729 17690
2274 1 12 . 1 1 40 40 LYS CB C 40 32.570 32.570 32.650 -0.080 17690
2275 1 12 . 1 1 40 40 LYS H H 40 7.775 7.775 7.537 0.238 17690
2276 1 12 . 1 1 41 41 LYS N N 41 123.403 123.403 122.386 1.017 17690
2277 1 12 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.095 0.104 17690
2278 1 12 . 1 1 41 41 LYS CA C 41 56.905 56.905 55.903 1.002 17690
2279 1 12 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.860 -0.663 17690
2280 1 12 . 1 1 41 41 LYS H H 41 8.087 8.087 8.249 -0.162 17690
2281 1 13 . 1 1 2 2 ALA N N 2 127.360 127.360 123.872 3.488 17690
2282 1 13 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.714 -0.385 17690
2283 1 13 . 1 1 2 2 ALA CA C 2 52.379 52.379 51.919 0.460 17690
2284 1 13 . 1 1 2 2 ALA CB C 2 19.051 19.051 20.638 -1.587 17690
2285 1 13 . 1 1 2 2 ALA H H 2 8.637 8.637 8.060 0.577 17690
2286 1 13 . 1 1 3 3 GLU N N 3 121.660 121.660 120.804 0.856 17690
2287 1 13 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.466 -0.249 17690
2288 1 13 . 1 1 3 3 GLU CA C 3 56.479 56.479 56.966 -0.487 17690
2289 1 13 . 1 1 3 3 GLU CB C 3 30.019 30.019 30.250 -0.232 17690
2290 1 13 . 1 1 3 3 GLU H H 3 8.421 8.421 8.563 -0.142 17690
2291 1 13 . 1 1 4 4 ALA N N 4 125.777 125.777 128.610 -2.833 17690
2292 1 13 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.105 0.157 17690
2293 1 13 . 1 1 4 4 ALA CA C 4 52.220 52.220 53.201 -0.981 17690
2294 1 13 . 1 1 4 4 ALA CB C 4 19.104 19.104 18.907 0.197 17690
2295 1 13 . 1 1 4 4 ALA H H 4 8.306 8.306 8.693 -0.387 17690
2296 1 13 . 1 1 5 5 HIS N N 5 118.168 118.168 116.937 1.231 17690
2297 1 13 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.752 -0.046 17690
2298 1 13 . 1 1 5 5 HIS CA C 5 54.669 54.669 54.988 -0.319 17690
2299 1 13 . 1 1 5 5 HIS CB C 5 28.847 28.847 31.470 -2.623 17690
2300 1 13 . 1 1 5 5 HIS H H 5 8.431 8.431 7.841 0.590 17690
2301 1 13 . 1 1 6 6 GLN N N 6 122.323 122.323 119.295 3.028 17690
2302 1 13 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.482 -0.143 17690
2303 1 13 . 1 1 6 6 GLN CA C 6 55.734 55.734 56.422 -0.688 17690
2304 1 13 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.341 0.252 17690
2305 1 13 . 1 1 6 6 GLN H H 6 8.337 8.337 8.604 -0.267 17690
2306 1 13 . 1 1 7 7 ALA N N 7 126.205 126.205 128.747 -2.542 17690
2307 1 13 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.679 -0.330 17690
2308 1 13 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.816 0.243 17690
2309 1 13 . 1 1 7 7 ALA CB C 7 19.264 19.264 21.314 -2.050 17690
2310 1 13 . 1 1 7 7 ALA H H 7 8.374 8.374 8.669 -0.295 17690
2311 1 13 . 1 1 8 8 VAL N N 8 121.228 121.228 121.057 0.171 17690
2312 1 13 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.404 -0.439 17690
2313 1 13 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.938 0.238 17690
2314 1 13 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.856 -2.548 17690
2315 1 13 . 1 1 8 8 VAL H H 8 8.200 8.200 8.400 -0.200 17690
2316 1 13 . 1 1 9 9 ALA N N 9 128.767 128.767 130.027 -1.260 17690
2317 1 13 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.319 0.093 17690
2318 1 13 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.843 -0.505 17690
2319 1 13 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.659 0.566 17690
2320 1 13 . 1 1 9 9 ALA H H 9 8.324 8.324 8.746 -0.422 17690
2321 1 13 . 1 1 10 10 PHE N N 10 115.148 115.148 114.084 1.064 17690
2322 1 13 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.706 -0.321 17690
2323 1 13 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.971 1.922 17690
2324 1 13 . 1 1 10 10 PHE CB C 10 41.944 41.944 41.097 0.847 17690
2325 1 13 . 1 1 10 10 PHE H H 10 7.578 7.578 7.941 -0.363 17690
2326 1 13 . 1 1 11 11 GLN N N 11 123.516 123.516 122.710 0.806 17690
2327 1 13 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.523 -0.069 17690
2328 1 13 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.061 1.247 17690
2329 1 13 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.336 -1.565 17690
2330 1 13 . 1 1 11 11 GLN H H 11 8.653 8.653 9.043 -0.390 17690
2331 1 13 . 1 1 12 12 PHE N N 12 126.845 126.845 127.499 -0.654 17690
2332 1 13 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.667 -0.086 17690
2333 1 13 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.185 1.134 17690
2334 1 13 . 1 1 12 12 PHE CB C 12 42.317 42.317 40.882 1.435 17690
2335 1 13 . 1 1 12 12 PHE H H 12 8.769 8.769 8.635 0.134 17690
2336 1 13 . 1 1 13 13 THR N N 13 122.078 122.078 124.182 -2.104 17690
2337 1 13 . 1 1 13 13 THR HA H 13 4.492 4.492 4.309 0.183 17690
2338 1 13 . 1 1 13 13 THR CA C 13 61.111 61.111 61.100 0.011 17690
2339 1 13 . 1 1 13 13 THR CB C 13 71.757 71.757 71.430 0.327 17690
2340 1 13 . 1 1 13 13 THR H H 13 8.724 8.724 9.180 -0.456 17690
2341 1 13 . 1 1 14 14 VAL N N 14 125.702 125.702 126.813 -1.111 17690
2342 1 13 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.482 0.010 17690
2343 1 13 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.490 -0.592 17690
2344 1 13 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.297 0.224 17690
2345 1 13 . 1 1 14 14 VAL H H 14 8.573 8.573 8.430 0.143 17690
2346 1 13 . 1 1 15 15 THR N N 15 121.390 121.390 120.789 0.601 17690
2347 1 13 . 1 1 15 15 THR CA C 15 58.895 58.895 58.488 0.407 17690
2348 1 13 . 1 1 15 15 THR CB C 15 68.453 68.453 69.990 -1.537 17690
2349 1 13 . 1 1 15 15 THR H H 15 8.888 8.888 8.885 0.003 17690
2350 1 13 . 1 1 17 17 ASP N N 17 111.883 111.883 116.313 -4.430 17690
2351 1 13 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.614 0.164 17690
2352 1 13 . 1 1 17 17 ASP CA C 17 54.190 54.190 53.666 0.524 17690
2353 1 13 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.562 0.165 17690
2354 1 13 . 1 1 17 17 ASP H H 17 7.742 7.742 8.211 -0.469 17690
2355 1 13 . 1 1 18 18 GLY N N 18 110.771 110.771 107.234 3.537 17690
2356 1 13 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.042 0.682 17690
2357 1 13 . 1 1 18 18 GLY H H 18 7.461 7.461 7.930 -0.469 17690
2358 1 13 . 1 1 19 19 ILE N N 19 115.499 115.499 116.676 -1.177 17690
2359 1 13 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.269 -0.081 17690
2360 1 13 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.235 -1.378 17690
2361 1 13 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.199 0.012 17690
2362 1 13 . 1 1 19 19 ILE H H 19 8.631 8.631 8.233 0.398 17690
2363 1 13 . 1 1 20 20 ASP N N 20 123.215 123.215 123.065 0.150 17690
2364 1 13 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.067 0.380 17690
2365 1 13 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.794 0.278 17690
2366 1 13 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.428 -1.206 17690
2367 1 13 . 1 1 20 20 ASP H H 20 8.694 8.694 8.938 -0.244 17690
2368 1 13 . 1 1 21 21 LEU N N 21 129.031 129.031 123.883 5.148 17690
2369 1 13 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.312 -0.043 17690
2370 1 13 . 1 1 21 21 LEU CA C 21 53.764 53.764 53.686 0.078 17690
2371 1 13 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.862 0.277 17690
2372 1 13 . 1 1 21 21 LEU H H 21 9.421 9.421 8.605 0.816 17690
2373 1 13 . 1 1 22 22 ARG N N 22 124.860 124.860 125.151 -0.291 17690
2374 1 13 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.711 0.674 17690
2375 1 13 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.927 -0.524 17690
2376 1 13 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.269 -0.429 17690
2377 1 13 . 1 1 22 22 ARG H H 22 8.862 8.862 9.105 -0.243 17690
2378 1 13 . 1 1 23 23 LEU N N 23 122.825 122.825 125.431 -2.606 17690
2379 1 13 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.197 0.072 17690
2380 1 13 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.768 -1.602 17690
2381 1 13 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.645 -0.191 17690
2382 1 13 . 1 1 23 23 LEU H H 23 8.149 8.149 8.578 -0.429 17690
2383 1 13 . 1 1 24 24 SER N N 24 118.505 118.505 117.435 1.070 17690
2384 1 13 . 1 1 24 24 SER HA H 24 4.189 4.189 4.641 -0.452 17690
2385 1 13 . 1 1 24 24 SER CA C 24 57.331 57.331 57.261 0.070 17690
2386 1 13 . 1 1 24 24 SER CB C 24 64.678 64.678 65.476 -0.798 17690
2387 1 13 . 1 1 24 24 SER H H 24 8.428 8.428 8.308 0.120 17690
2388 1 13 . 1 1 25 25 HIS N N 25 120.283 120.283 122.147 -1.864 17690
2389 1 13 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.253 0.240 17690
2390 1 13 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.409 -0.416 17690
2391 1 13 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.704 0.102 17690
2392 1 13 . 1 1 25 25 HIS H H 25 8.280 8.280 9.025 -0.745 17690
2393 1 13 . 1 1 26 26 GLU N N 26 120.235 120.235 119.542 0.693 17690
2394 1 13 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.101 0.205 17690
2395 1 13 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.983 -0.163 17690
2396 1 13 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.284 -0.490 17690
2397 1 13 . 1 1 26 26 GLU H H 26 8.605 8.605 8.789 -0.184 17690
2398 1 13 . 1 1 27 27 ALA N N 27 123.290 123.290 122.474 0.816 17690
2399 1 13 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.121 -0.091 17690
2400 1 13 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.920 0.494 17690
2401 1 13 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.273 0.405 17690
2402 1 13 . 1 1 27 27 ALA H H 27 7.939 7.939 7.667 0.272 17690
2403 1 13 . 1 1 28 28 LEU N N 28 116.982 116.982 118.982 -2.000 17690
2404 1 13 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.971 0.003 17690
2405 1 13 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.650 0.426 17690
2406 1 13 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.550 -0.138 17690
2407 1 13 . 1 1 28 28 LEU H H 28 8.051 8.051 7.548 0.503 17690
2408 1 13 . 1 1 29 29 ARG N N 29 119.663 119.663 119.645 0.018 17690
2409 1 13 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.958 0.010 17690
2410 1 13 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.860 0.079 17690
2411 1 13 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.989 0.242 17690
2412 1 13 . 1 1 29 29 ARG H H 29 8.185 8.185 7.667 0.518 17690
2413 1 13 . 1 1 30 30 GLN N N 30 116.955 116.955 118.655 -1.700 17690
2414 1 13 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.116 -0.077 17690
2415 1 13 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.849 0.026 17690
2416 1 13 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.697 -0.648 17690
2417 1 13 . 1 1 30 30 GLN H H 30 8.097 8.097 7.724 0.373 17690
2418 1 13 . 1 1 31 31 ILE N N 31 121.761 121.761 121.033 0.728 17690
2419 1 13 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.837 -0.162 17690
2420 1 13 . 1 1 31 31 ILE CA C 31 65.204 65.204 64.523 0.681 17690
2421 1 13 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.526 -0.484 17690
2422 1 13 . 1 1 31 31 ILE H H 31 8.386 8.386 7.761 0.625 17690
2423 1 13 . 1 1 32 32 TYR N N 32 120.917 120.917 121.161 -0.244 17690
2424 1 13 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.105 0.023 17690
2425 1 13 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.600 -1.629 17690
2426 1 13 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.490 -0.274 17690
2427 1 13 . 1 1 32 32 TYR H H 32 8.330 8.330 8.348 -0.018 17690
2428 1 13 . 1 1 33 33 LEU N N 33 117.824 117.824 118.841 -1.017 17690
2429 1 13 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.793 0.060 17690
2430 1 13 . 1 1 33 33 LEU CA C 33 57.597 57.597 58.539 -0.942 17690
2431 1 13 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.791 -0.060 17690
2432 1 13 . 1 1 33 33 LEU H H 33 8.446 8.446 7.880 0.566 17690
2433 1 13 . 1 1 34 34 SER N N 34 114.939 114.939 114.987 -0.048 17690
2434 1 13 . 1 1 34 34 SER HA H 34 4.297 4.297 4.182 0.115 17690
2435 1 13 . 1 1 34 34 SER CA C 34 61.643 61.643 61.987 -0.344 17690
2436 1 13 . 1 1 34 34 SER CB C 34 63.560 63.560 62.654 0.906 17690
2437 1 13 . 1 1 34 34 SER H H 34 8.002 8.002 8.570 -0.568 17690
2438 1 13 . 1 1 35 35 GLY N N 35 110.407 110.407 110.829 -0.422 17690
2439 1 13 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.553 0.130 17690
2440 1 13 . 1 1 35 35 GLY H H 35 8.354 8.354 7.845 0.509 17690
2441 1 13 . 1 1 36 36 LEU N N 36 121.693 121.693 121.608 0.085 17690
2442 1 13 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.870 0.143 17690
2443 1 13 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.157 -0.039 17690
2444 1 13 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.623 0.162 17690
2445 1 13 . 1 1 36 36 LEU H H 36 8.198 8.198 7.531 0.667 17690
2446 1 13 . 1 1 37 37 HIS N N 37 115.842 115.842 117.382 -1.540 17690
2447 1 13 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.527 0.037 17690
2448 1 13 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.410 -3.071 17690
2449 1 13 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.720 -0.820 17690
2450 1 13 . 1 1 37 37 HIS H H 37 7.912 7.912 8.152 -0.240 17690
2451 1 13 . 1 1 38 38 SER N N 38 114.737 114.737 114.689 0.048 17690
2452 1 13 . 1 1 38 38 SER HA H 38 4.342 4.342 4.280 0.062 17690
2453 1 13 . 1 1 38 38 SER CA C 38 59.833 59.833 60.399 -0.566 17690
2454 1 13 . 1 1 38 38 SER CB C 38 62.868 62.868 62.387 0.481 17690
2455 1 13 . 1 1 38 38 SER H H 38 7.871 7.871 7.805 0.066 17690
2456 1 13 . 1 1 39 39 TRP N N 39 122.888 122.888 122.305 0.583 17690
2457 1 13 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.406 0.086 17690
2458 1 13 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.200 -0.284 17690
2459 1 13 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.076 -0.856 17690
2460 1 13 . 1 1 39 39 TRP H H 39 7.968 7.968 7.318 0.650 17690
2461 1 13 . 1 1 40 40 LYS N N 40 120.822 120.822 120.586 0.236 17690
2462 1 13 . 1 1 40 40 LYS HA H 40 4.270 4.270 3.819 0.451 17690
2463 1 13 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.118 0.095 17690
2464 1 13 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.164 -0.595 17690
2465 1 13 . 1 1 40 40 LYS H H 40 7.775 7.775 7.716 0.059 17690
2466 1 13 . 1 1 41 41 LYS N N 41 123.403 123.403 124.976 -1.573 17690
2467 1 13 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.137 0.062 17690
2468 1 13 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.825 0.080 17690
2469 1 13 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.774 -0.577 17690
2470 1 13 . 1 1 41 41 LYS H H 41 8.087 8.087 8.190 -0.102 17690
2471 1 14 . 1 1 2 2 ALA N N 2 127.360 127.360 123.522 3.838 17690
2472 1 14 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.480 -0.151 17690
2473 1 14 . 1 1 2 2 ALA CA C 2 52.379 52.379 54.241 -1.862 17690
2474 1 14 . 1 1 2 2 ALA CB C 2 19.051 19.051 18.544 0.506 17690
2475 1 14 . 1 1 2 2 ALA H H 2 8.637 8.637 8.394 0.243 17690
2476 1 14 . 1 1 3 3 GLU N N 3 121.660 121.660 119.788 1.872 17690
2477 1 14 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.128 0.089 17690
2478 1 14 . 1 1 3 3 GLU CA C 3 56.479 56.479 58.294 -1.815 17690
2479 1 14 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.197 0.822 17690
2480 1 14 . 1 1 3 3 GLU H H 3 8.421 8.421 8.807 -0.386 17690
2481 1 14 . 1 1 4 4 ALA N N 4 125.777 125.777 120.680 5.097 17690
2482 1 14 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.033 0.229 17690
2483 1 14 . 1 1 4 4 ALA CA C 4 52.220 52.220 54.319 -2.099 17690
2484 1 14 . 1 1 4 4 ALA CB C 4 19.104 19.104 18.531 0.573 17690
2485 1 14 . 1 1 4 4 ALA H H 4 8.306 8.306 7.508 0.798 17690
2486 1 14 . 1 1 5 5 HIS N N 5 118.168 118.168 116.001 2.167 17690
2487 1 14 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.405 0.301 17690
2488 1 14 . 1 1 5 5 HIS CA C 5 54.669 54.669 58.250 -3.581 17690
2489 1 14 . 1 1 5 5 HIS CB C 5 28.847 28.847 29.822 -0.975 17690
2490 1 14 . 1 1 5 5 HIS H H 5 8.431 8.431 7.564 0.867 17690
2491 1 14 . 1 1 6 6 GLN N N 6 122.323 122.323 119.095 3.228 17690
2492 1 14 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.343 -0.004 17690
2493 1 14 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.410 0.325 17690
2494 1 14 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.153 0.440 17690
2495 1 14 . 1 1 6 6 GLN H H 6 8.337 8.337 7.723 0.614 17690
2496 1 14 . 1 1 7 7 ALA N N 7 126.205 126.205 126.915 -0.710 17690
2497 1 14 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.317 0.032 17690
2498 1 14 . 1 1 7 7 ALA CA C 7 52.060 52.060 52.608 -0.548 17690
2499 1 14 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.410 -0.146 17690
2500 1 14 . 1 1 7 7 ALA H H 7 8.374 8.374 8.340 0.034 17690
2501 1 14 . 1 1 8 8 VAL N N 8 121.228 121.228 121.195 0.033 17690
2502 1 14 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.236 -0.271 17690
2503 1 14 . 1 1 8 8 VAL CA C 8 62.176 62.176 62.225 -0.049 17690
2504 1 14 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.579 -1.271 17690
2505 1 14 . 1 1 8 8 VAL H H 8 8.200 8.200 8.310 -0.110 17690
2506 1 14 . 1 1 9 9 ALA N N 9 128.767 128.767 129.786 -1.019 17690
2507 1 14 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.530 -0.118 17690
2508 1 14 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.060 1.278 17690
2509 1 14 . 1 1 9 9 ALA CB C 9 20.225 20.225 20.355 -0.130 17690
2510 1 14 . 1 1 9 9 ALA H H 9 8.324 8.324 8.494 -0.170 17690
2511 1 14 . 1 1 10 10 PHE N N 10 115.148 115.148 114.743 0.405 17690
2512 1 14 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.778 -0.393 17690
2513 1 14 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.722 2.171 17690
2514 1 14 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.226 1.718 17690
2515 1 14 . 1 1 10 10 PHE H H 10 7.578 7.578 7.621 -0.043 17690
2516 1 14 . 1 1 11 11 GLN N N 11 123.516 123.516 121.562 1.954 17690
2517 1 14 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.839 -0.385 17690
2518 1 14 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.779 0.529 17690
2519 1 14 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.224 -1.452 17690
2520 1 14 . 1 1 11 11 GLN H H 11 8.653 8.653 9.019 -0.366 17690
2521 1 14 . 1 1 12 12 PHE N N 12 126.845 126.845 126.231 0.614 17690
2522 1 14 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.687 -0.106 17690
2523 1 14 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.539 0.780 17690
2524 1 14 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.105 1.212 17690
2525 1 14 . 1 1 12 12 PHE H H 12 8.769 8.769 8.845 -0.076 17690
2526 1 14 . 1 1 13 13 THR N N 13 122.078 122.078 124.279 -2.201 17690
2527 1 14 . 1 1 13 13 THR HA H 13 4.492 4.492 4.361 0.131 17690
2528 1 14 . 1 1 13 13 THR CA C 13 61.111 61.111 61.204 -0.093 17690
2529 1 14 . 1 1 13 13 THR CB C 13 71.757 71.757 71.554 0.203 17690
2530 1 14 . 1 1 13 13 THR H H 13 8.724 8.724 9.258 -0.534 17690
2531 1 14 . 1 1 14 14 VAL N N 14 125.702 125.702 127.075 -1.373 17690
2532 1 14 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.568 -0.076 17690
2533 1 14 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.669 -0.771 17690
2534 1 14 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.322 0.199 17690
2535 1 14 . 1 1 14 14 VAL H H 14 8.573 8.573 8.454 0.119 17690
2536 1 14 . 1 1 15 15 THR N N 15 121.390 121.390 122.278 -0.888 17690
2537 1 14 . 1 1 15 15 THR CA C 15 58.895 58.895 58.760 0.135 17690
2538 1 14 . 1 1 15 15 THR CB C 15 68.453 68.453 69.522 -1.069 17690
2539 1 14 . 1 1 15 15 THR H H 15 8.888 8.888 8.842 0.046 17690
2540 1 14 . 1 1 17 17 ASP N N 17 111.883 111.883 115.170 -3.287 17690
2541 1 14 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.511 0.267 17690
2542 1 14 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.200 -0.010 17690
2543 1 14 . 1 1 17 17 ASP CB C 17 41.727 41.727 40.743 0.984 17690
2544 1 14 . 1 1 17 17 ASP H H 17 7.742 7.742 8.425 -0.683 17690
2545 1 14 . 1 1 18 18 GLY N N 18 110.771 110.771 107.835 2.936 17690
2546 1 14 . 1 1 18 18 GLY CA C 18 45.724 45.724 44.913 0.811 17690
2547 1 14 . 1 1 18 18 GLY H H 18 7.461 7.461 7.946 -0.485 17690
2548 1 14 . 1 1 19 19 ILE N N 19 115.499 115.499 116.443 -0.944 17690
2549 1 14 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.338 -0.150 17690
2550 1 14 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.244 -1.387 17690
2551 1 14 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.147 0.064 17690
2552 1 14 . 1 1 19 19 ILE H H 19 8.631 8.631 8.217 0.414 17690
2553 1 14 . 1 1 20 20 ASP N N 20 123.215 123.215 123.739 -0.524 17690
2554 1 14 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.132 0.315 17690
2555 1 14 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.177 -0.105 17690
2556 1 14 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.436 -1.214 17690
2557 1 14 . 1 1 20 20 ASP H H 20 8.694 8.694 9.020 -0.326 17690
2558 1 14 . 1 1 21 21 LEU N N 21 129.031 129.031 122.424 6.607 17690
2559 1 14 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.274 -0.005 17690
2560 1 14 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.079 -0.315 17690
2561 1 14 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.661 0.478 17690
2562 1 14 . 1 1 21 21 LEU H H 21 9.421 9.421 8.643 0.778 17690
2563 1 14 . 1 1 22 22 ARG N N 22 124.860 124.860 124.321 0.539 17690
2564 1 14 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.830 0.555 17690
2565 1 14 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.830 -0.427 17690
2566 1 14 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.064 -0.224 17690
2567 1 14 . 1 1 22 22 ARG H H 22 8.862 8.862 9.137 -0.275 17690
2568 1 14 . 1 1 23 23 LEU N N 23 122.825 122.825 124.302 -1.477 17690
2569 1 14 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.167 0.102 17690
2570 1 14 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.340 -1.174 17690
2571 1 14 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.113 0.341 17690
2572 1 14 . 1 1 23 23 LEU H H 23 8.149 8.149 8.589 -0.440 17690
2573 1 14 . 1 1 24 24 SER N N 24 118.505 118.505 118.341 0.164 17690
2574 1 14 . 1 1 24 24 SER HA H 24 4.189 4.189 4.448 -0.259 17690
2575 1 14 . 1 1 24 24 SER CA C 24 57.331 57.331 57.692 -0.361 17690
2576 1 14 . 1 1 24 24 SER CB C 24 64.678 64.678 65.054 -0.376 17690
2577 1 14 . 1 1 24 24 SER H H 24 8.428 8.428 8.523 -0.095 17690
2578 1 14 . 1 1 25 25 HIS N N 25 120.283 120.283 122.846 -2.563 17690
2579 1 14 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.275 0.218 17690
2580 1 14 . 1 1 25 25 HIS CA C 25 59.993 59.993 59.885 0.108 17690
2581 1 14 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.628 0.178 17690
2582 1 14 . 1 1 25 25 HIS H H 25 8.280 8.280 8.739 -0.459 17690
2583 1 14 . 1 1 26 26 GLU N N 26 120.235 120.235 119.208 1.027 17690
2584 1 14 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.125 0.181 17690
2585 1 14 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.823 -0.002 17690
2586 1 14 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.221 -0.427 17690
2587 1 14 . 1 1 26 26 GLU H H 26 8.605 8.605 8.841 -0.236 17690
2588 1 14 . 1 1 27 27 ALA N N 27 123.290 123.290 122.308 0.982 17690
2589 1 14 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.030 -0.000 17690
2590 1 14 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.806 0.608 17690
2591 1 14 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.290 0.388 17690
2592 1 14 . 1 1 27 27 ALA H H 27 7.939 7.939 7.730 0.209 17690
2593 1 14 . 1 1 28 28 LEU N N 28 116.982 116.982 118.920 -1.938 17690
2594 1 14 . 1 1 28 28 LEU HA H 28 3.974 3.974 4.013 -0.039 17690
2595 1 14 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.599 0.477 17690
2596 1 14 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.617 -0.205 17690
2597 1 14 . 1 1 28 28 LEU H H 28 8.051 8.051 7.534 0.517 17690
2598 1 14 . 1 1 29 29 ARG N N 29 119.663 119.663 119.754 -0.091 17690
2599 1 14 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.970 -0.002 17690
2600 1 14 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.824 0.115 17690
2601 1 14 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.020 0.211 17690
2602 1 14 . 1 1 29 29 ARG H H 29 8.185 8.185 7.703 0.482 17690
2603 1 14 . 1 1 30 30 GLN N N 30 116.955 116.955 118.485 -1.530 17690
2604 1 14 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.131 -0.092 17690
2605 1 14 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.881 -0.006 17690
2606 1 14 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.791 -0.742 17690
2607 1 14 . 1 1 30 30 GLN H H 30 8.097 8.097 7.799 0.298 17690
2608 1 14 . 1 1 31 31 ILE N N 31 121.761 121.761 121.000 0.761 17690
2609 1 14 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.693 -0.018 17690
2610 1 14 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.372 -0.168 17690
2611 1 14 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.013 -0.971 17690
2612 1 14 . 1 1 31 31 ILE H H 31 8.386 8.386 7.709 0.677 17690
2613 1 14 . 1 1 32 32 TYR N N 32 120.917 120.917 120.373 0.544 17690
2614 1 14 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.108 0.020 17690
2615 1 14 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.292 -1.321 17690
2616 1 14 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.603 -0.386 17690
2617 1 14 . 1 1 32 32 TYR H H 32 8.330 8.330 8.152 0.178 17690
2618 1 14 . 1 1 33 33 LEU N N 33 117.824 117.824 118.772 -0.948 17690
2619 1 14 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.672 0.181 17690
2620 1 14 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.897 -0.300 17690
2621 1 14 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.651 0.080 17690
2622 1 14 . 1 1 33 33 LEU H H 33 8.446 8.446 7.838 0.608 17690
2623 1 14 . 1 1 34 34 SER N N 34 114.939 114.939 114.819 0.120 17690
2624 1 14 . 1 1 34 34 SER HA H 34 4.297 4.297 4.229 0.068 17690
2625 1 14 . 1 1 34 34 SER CA C 34 61.643 61.643 62.093 -0.450 17690
2626 1 14 . 1 1 34 34 SER CB C 34 63.560 63.560 62.907 0.653 17690
2627 1 14 . 1 1 34 34 SER H H 34 8.002 8.002 8.567 -0.565 17690
2628 1 14 . 1 1 35 35 GLY N N 35 110.407 110.407 109.785 0.622 17690
2629 1 14 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.568 0.115 17690
2630 1 14 . 1 1 35 35 GLY H H 35 8.354 8.354 7.968 0.386 17690
2631 1 14 . 1 1 36 36 LEU N N 36 121.693 121.693 121.302 0.391 17690
2632 1 14 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.833 0.180 17690
2633 1 14 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.209 -0.091 17690
2634 1 14 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.613 0.172 17690
2635 1 14 . 1 1 36 36 LEU H H 36 8.198 8.198 7.540 0.658 17690
2636 1 14 . 1 1 37 37 HIS N N 37 115.842 115.842 117.000 -1.158 17690
2637 1 14 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.507 0.057 17690
2638 1 14 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.984 -2.645 17690
2639 1 14 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.501 -0.601 17690
2640 1 14 . 1 1 37 37 HIS H H 37 7.912 7.912 8.137 -0.225 17690
2641 1 14 . 1 1 38 38 SER N N 38 114.737 114.737 114.110 0.627 17690
2642 1 14 . 1 1 38 38 SER HA H 38 4.342 4.342 4.287 0.055 17690
2643 1 14 . 1 1 38 38 SER CA C 38 59.833 59.833 60.369 -0.536 17690
2644 1 14 . 1 1 38 38 SER CB C 38 62.868 62.868 62.213 0.655 17690
2645 1 14 . 1 1 38 38 SER H H 38 7.871 7.871 7.829 0.042 17690
2646 1 14 . 1 1 39 39 TRP N N 39 122.888 122.888 122.074 0.814 17690
2647 1 14 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.430 0.062 17690
2648 1 14 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.421 0.495 17690
2649 1 14 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.184 -0.964 17690
2650 1 14 . 1 1 39 39 TRP H H 39 7.968 7.968 7.320 0.648 17690
2651 1 14 . 1 1 40 40 LYS N N 40 120.822 120.822 120.886 -0.064 17690
2652 1 14 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.104 0.166 17690
2653 1 14 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.532 -0.320 17690
2654 1 14 . 1 1 40 40 LYS CB C 40 32.570 32.570 32.988 -0.418 17690
2655 1 14 . 1 1 40 40 LYS H H 40 7.775 7.775 7.596 0.179 17690
2656 1 14 . 1 1 41 41 LYS N N 41 123.403 123.403 123.625 -0.222 17690
2657 1 14 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.277 -0.078 17690
2658 1 14 . 1 1 41 41 LYS CA C 41 56.905 56.905 55.950 0.955 17690
2659 1 14 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.094 -0.897 17690
2660 1 14 . 1 1 41 41 LYS H H 41 8.087 8.087 8.185 -0.098 17690
2661 1 15 . 1 1 2 2 ALA N N 2 127.360 127.360 125.980 1.380 17690
2662 1 15 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.458 -0.129 17690
2663 1 15 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.022 0.357 17690
2664 1 15 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.959 -0.908 17690
2665 1 15 . 1 1 2 2 ALA H H 2 8.637 8.637 8.051 0.586 17690
2666 1 15 . 1 1 3 3 GLU N N 3 121.660 121.660 121.298 0.362 17690
2667 1 15 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.040 0.177 17690
2668 1 15 . 1 1 3 3 GLU CA C 3 56.479 56.479 58.312 -1.833 17690
2669 1 15 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.673 0.346 17690
2670 1 15 . 1 1 3 3 GLU H H 3 8.421 8.421 8.727 -0.306 17690
2671 1 15 . 1 1 4 4 ALA N N 4 125.777 125.777 122.096 3.681 17690
2672 1 15 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.163 0.099 17690
2673 1 15 . 1 1 4 4 ALA CA C 4 52.220 52.220 53.827 -1.607 17690
2674 1 15 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.130 -0.026 17690
2675 1 15 . 1 1 4 4 ALA H H 4 8.306 8.306 7.980 0.326 17690
2676 1 15 . 1 1 5 5 HIS N N 5 118.168 118.168 117.426 0.742 17690
2677 1 15 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.716 -0.010 17690
2678 1 15 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.438 -0.769 17690
2679 1 15 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.613 -1.766 17690
2680 1 15 . 1 1 5 5 HIS H H 5 8.431 8.431 8.079 0.352 17690
2681 1 15 . 1 1 6 6 GLN N N 6 122.323 122.323 123.721 -1.398 17690
2682 1 15 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.603 -0.264 17690
2683 1 15 . 1 1 6 6 GLN CA C 6 55.734 55.734 54.797 0.937 17690
2684 1 15 . 1 1 6 6 GLN CB C 6 29.593 29.593 30.005 -0.412 17690
2685 1 15 . 1 1 6 6 GLN H H 6 8.337 8.337 8.664 -0.327 17690
2686 1 15 . 1 1 7 7 ALA N N 7 126.205 126.205 128.096 -1.891 17690
2687 1 15 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.312 0.037 17690
2688 1 15 . 1 1 7 7 ALA CA C 7 52.060 52.060 53.325 -1.265 17690
2689 1 15 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.581 -0.317 17690
2690 1 15 . 1 1 7 7 ALA H H 7 8.374 8.374 8.879 -0.505 17690
2691 1 15 . 1 1 8 8 VAL N N 8 121.228 121.228 112.876 8.352 17690
2692 1 15 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.493 -0.528 17690
2693 1 15 . 1 1 8 8 VAL CA C 8 62.176 62.176 60.938 1.238 17690
2694 1 15 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.406 -2.098 17690
2695 1 15 . 1 1 8 8 VAL H H 8 8.200 8.200 7.507 0.693 17690
2696 1 15 . 1 1 9 9 ALA N N 9 128.767 128.767 122.601 6.166 17690
2697 1 15 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.551 -0.139 17690
2698 1 15 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.723 0.615 17690
2699 1 15 . 1 1 9 9 ALA CB C 9 20.225 20.225 20.193 0.032 17690
2700 1 15 . 1 1 9 9 ALA H H 9 8.324 8.324 8.519 -0.195 17690
2701 1 15 . 1 1 10 10 PHE N N 10 115.148 115.148 119.343 -4.195 17690
2702 1 15 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.677 -0.292 17690
2703 1 15 . 1 1 10 10 PHE CA C 10 55.893 55.893 55.257 0.637 17690
2704 1 15 . 1 1 10 10 PHE CB C 10 41.944 41.944 41.871 0.073 17690
2705 1 15 . 1 1 10 10 PHE H H 10 7.578 7.578 7.754 -0.176 17690
2706 1 15 . 1 1 11 11 GLN N N 11 123.516 123.516 125.960 -2.444 17690
2707 1 15 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.467 -0.013 17690
2708 1 15 . 1 1 11 11 GLN CA C 11 55.308 55.308 53.956 1.353 17690
2709 1 15 . 1 1 11 11 GLN CB C 11 31.771 31.771 32.689 -0.918 17690
2710 1 15 . 1 1 11 11 GLN H H 11 8.653 8.653 9.415 -0.762 17690
2711 1 15 . 1 1 12 12 PHE N N 12 126.845 126.845 126.296 0.549 17690
2712 1 15 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.653 -0.072 17690
2713 1 15 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.413 0.906 17690
2714 1 15 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.570 0.747 17690
2715 1 15 . 1 1 12 12 PHE H H 12 8.769 8.769 8.465 0.304 17690
2716 1 15 . 1 1 13 13 THR N N 13 122.078 122.078 124.106 -2.028 17690
2717 1 15 . 1 1 13 13 THR HA H 13 4.492 4.492 4.327 0.165 17690
2718 1 15 . 1 1 13 13 THR CA C 13 61.111 61.111 61.064 0.047 17690
2719 1 15 . 1 1 13 13 THR CB C 13 71.757 71.757 71.731 0.026 17690
2720 1 15 . 1 1 13 13 THR H H 13 8.724 8.724 9.327 -0.603 17690
2721 1 15 . 1 1 14 14 VAL N N 14 125.702 125.702 127.523 -1.821 17690
2722 1 15 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.576 -0.084 17690
2723 1 15 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.055 -0.157 17690
2724 1 15 . 1 1 14 14 VAL CB C 14 32.521 32.521 33.602 -1.081 17690
2725 1 15 . 1 1 14 14 VAL H H 14 8.573 8.573 8.415 0.158 17690
2726 1 15 . 1 1 15 15 THR N N 15 121.390 121.390 122.228 -0.838 17690
2727 1 15 . 1 1 15 15 THR CA C 15 58.895 58.895 58.926 -0.031 17690
2728 1 15 . 1 1 15 15 THR CB C 15 68.453 68.453 69.372 -0.919 17690
2729 1 15 . 1 1 15 15 THR H H 15 8.888 8.888 9.035 -0.147 17690
2730 1 15 . 1 1 17 17 ASP N N 17 111.883 111.883 116.767 -4.884 17690
2731 1 15 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.595 0.183 17690
2732 1 15 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.438 -0.248 17690
2733 1 15 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.099 0.628 17690
2734 1 15 . 1 1 17 17 ASP H H 17 7.742 7.742 8.436 -0.694 17690
2735 1 15 . 1 1 18 18 GLY N N 18 110.771 110.771 107.023 3.748 17690
2736 1 15 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.077 0.647 17690
2737 1 15 . 1 1 18 18 GLY H H 18 7.461 7.461 7.887 -0.426 17690
2738 1 15 . 1 1 19 19 ILE N N 19 115.499 115.499 116.571 -1.072 17690
2739 1 15 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.345 -0.157 17690
2740 1 15 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.344 -1.487 17690
2741 1 15 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.096 0.115 17690
2742 1 15 . 1 1 19 19 ILE H H 19 8.631 8.631 8.232 0.399 17690
2743 1 15 . 1 1 20 20 ASP N N 20 123.215 123.215 124.560 -1.345 17690
2744 1 15 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.155 0.292 17690
2745 1 15 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.240 -0.168 17690
2746 1 15 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.598 -1.376 17690
2747 1 15 . 1 1 20 20 ASP H H 20 8.694 8.694 9.158 -0.464 17690
2748 1 15 . 1 1 21 21 LEU N N 21 129.031 129.031 122.612 6.419 17690
2749 1 15 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.528 -0.259 17690
2750 1 15 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.465 -0.701 17690
2751 1 15 . 1 1 21 21 LEU CB C 21 45.139 45.139 45.045 0.094 17690
2752 1 15 . 1 1 21 21 LEU H H 21 9.421 9.421 8.673 0.748 17690
2753 1 15 . 1 1 22 22 ARG N N 22 124.860 124.860 125.690 -0.830 17690
2754 1 15 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.940 0.445 17690
2755 1 15 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.773 -0.370 17690
2756 1 15 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.465 -0.625 17690
2757 1 15 . 1 1 22 22 ARG H H 22 8.862 8.862 9.330 -0.468 17690
2758 1 15 . 1 1 23 23 LEU N N 23 122.825 122.825 122.498 0.327 17690
2759 1 15 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.606 -0.337 17690
2760 1 15 . 1 1 23 23 LEU CA C 23 52.166 52.166 52.975 -0.809 17690
2761 1 15 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.334 0.120 17690
2762 1 15 . 1 1 23 23 LEU H H 23 8.149 8.149 8.464 -0.315 17690
2763 1 15 . 1 1 24 24 SER N N 24 118.505 118.505 116.318 2.187 17690
2764 1 15 . 1 1 24 24 SER HA H 24 4.189 4.189 4.672 -0.483 17690
2765 1 15 . 1 1 24 24 SER CA C 24 57.331 57.331 57.362 -0.031 17690
2766 1 15 . 1 1 24 24 SER CB C 24 64.678 64.678 65.460 -0.782 17690
2767 1 15 . 1 1 24 24 SER H H 24 8.428 8.428 8.515 -0.087 17690
2768 1 15 . 1 1 25 25 HIS N N 25 120.283 120.283 121.275 -0.992 17690
2769 1 15 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.231 0.262 17690
2770 1 15 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.650 -0.657 17690
2771 1 15 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.813 -0.007 17690
2772 1 15 . 1 1 25 25 HIS H H 25 8.280 8.280 9.028 -0.748 17690
2773 1 15 . 1 1 26 26 GLU N N 26 120.235 120.235 118.495 1.740 17690
2774 1 15 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.143 0.163 17690
2775 1 15 . 1 1 26 26 GLU CA C 26 58.821 58.821 59.143 -0.322 17690
2776 1 15 . 1 1 26 26 GLU CB C 26 28.794 28.794 28.907 -0.113 17690
2777 1 15 . 1 1 26 26 GLU H H 26 8.605 8.605 8.786 -0.181 17690
2778 1 15 . 1 1 27 27 ALA N N 27 123.290 123.290 122.086 1.204 17690
2779 1 15 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.157 -0.127 17690
2780 1 15 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.943 0.471 17690
2781 1 15 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.301 0.377 17690
2782 1 15 . 1 1 27 27 ALA H H 27 7.939 7.939 7.525 0.414 17690
2783 1 15 . 1 1 28 28 LEU N N 28 116.982 116.982 118.501 -1.519 17690
2784 1 15 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.936 0.038 17690
2785 1 15 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.717 0.359 17690
2786 1 15 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.521 -0.109 17690
2787 1 15 . 1 1 28 28 LEU H H 28 8.051 8.051 7.489 0.562 17690
2788 1 15 . 1 1 29 29 ARG N N 29 119.663 119.663 119.110 0.553 17690
2789 1 15 . 1 1 29 29 ARG HA H 29 3.968 3.968 4.016 -0.048 17690
2790 1 15 . 1 1 29 29 ARG CA C 29 59.939 59.939 60.022 -0.083 17690
2791 1 15 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.945 0.286 17690
2792 1 15 . 1 1 29 29 ARG H H 29 8.185 8.185 7.709 0.476 17690
2793 1 15 . 1 1 30 30 GLN N N 30 116.955 116.955 118.756 -1.801 17690
2794 1 15 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.121 -0.082 17690
2795 1 15 . 1 1 30 30 GLN CA C 30 58.875 58.875 59.015 -0.140 17690
2796 1 15 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.835 -0.786 17690
2797 1 15 . 1 1 30 30 GLN H H 30 8.097 8.097 7.733 0.364 17690
2798 1 15 . 1 1 31 31 ILE N N 31 121.761 121.761 121.108 0.653 17690
2799 1 15 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.664 0.011 17690
2800 1 15 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.353 -0.149 17690
2801 1 15 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.987 -0.945 17690
2802 1 15 . 1 1 31 31 ILE H H 31 8.386 8.386 7.678 0.708 17690
2803 1 15 . 1 1 32 32 TYR N N 32 120.917 120.917 120.281 0.636 17690
2804 1 15 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.116 0.012 17690
2805 1 15 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.315 -1.344 17690
2806 1 15 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.633 -0.416 17690
2807 1 15 . 1 1 32 32 TYR H H 32 8.330 8.330 8.212 0.118 17690
2808 1 15 . 1 1 33 33 LEU N N 33 117.824 117.824 118.841 -1.017 17690
2809 1 15 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.758 0.095 17690
2810 1 15 . 1 1 33 33 LEU CA C 33 57.597 57.597 58.000 -0.403 17690
2811 1 15 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.748 -0.017 17690
2812 1 15 . 1 1 33 33 LEU H H 33 8.446 8.446 7.814 0.632 17690
2813 1 15 . 1 1 34 34 SER N N 34 114.939 114.939 114.493 0.446 17690
2814 1 15 . 1 1 34 34 SER HA H 34 4.297 4.297 4.132 0.165 17690
2815 1 15 . 1 1 34 34 SER CA C 34 61.643 61.643 61.622 0.021 17690
2816 1 15 . 1 1 34 34 SER CB C 34 63.560 63.560 63.142 0.418 17690
2817 1 15 . 1 1 34 34 SER H H 34 8.002 8.002 8.519 -0.517 17690
2818 1 15 . 1 1 35 35 GLY N N 35 110.407 110.407 108.734 1.673 17690
2819 1 15 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.378 0.305 17690
2820 1 15 . 1 1 35 35 GLY H H 35 8.354 8.354 7.559 0.795 17690
2821 1 15 . 1 1 36 36 LEU N N 36 121.693 121.693 121.613 0.080 17690
2822 1 15 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.912 0.101 17690
2823 1 15 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.206 -0.088 17690
2824 1 15 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.663 0.122 17690
2825 1 15 . 1 1 36 36 LEU H H 36 8.198 8.198 7.566 0.632 17690
2826 1 15 . 1 1 37 37 HIS N N 37 115.842 115.842 117.516 -1.674 17690
2827 1 15 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.471 0.093 17690
2828 1 15 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.581 -3.243 17690
2829 1 15 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.492 -0.592 17690
2830 1 15 . 1 1 37 37 HIS H H 37 7.912 7.912 8.327 -0.415 17690
2831 1 15 . 1 1 38 38 SER N N 38 114.737 114.737 114.707 0.030 17690
2832 1 15 . 1 1 38 38 SER HA H 38 4.342 4.342 4.319 0.023 17690
2833 1 15 . 1 1 38 38 SER CA C 38 59.833 59.833 59.740 0.093 17690
2834 1 15 . 1 1 38 38 SER CB C 38 62.868 62.868 62.255 0.613 17690
2835 1 15 . 1 1 38 38 SER H H 38 7.871 7.871 7.703 0.168 17690
2836 1 15 . 1 1 39 39 TRP N N 39 122.888 122.888 122.532 0.356 17690
2837 1 15 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.449 0.043 17690
2838 1 15 . 1 1 39 39 TRP CA C 39 57.916 57.916 59.321 -1.405 17690
2839 1 15 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.276 -1.056 17690
2840 1 15 . 1 1 39 39 TRP H H 39 7.968 7.968 7.257 0.711 17690
2841 1 15 . 1 1 40 40 LYS N N 40 120.822 120.822 118.586 2.236 17690
2842 1 15 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.503 -0.233 17690
2843 1 15 . 1 1 40 40 LYS CA C 40 56.213 56.213 55.552 0.661 17690
2844 1 15 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.509 -0.939 17690
2845 1 15 . 1 1 40 40 LYS H H 40 7.775 7.775 7.674 0.101 17690
2846 1 15 . 1 1 41 41 LYS N N 41 123.403 123.403 121.991 1.412 17690
2847 1 15 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.267 -0.068 17690
2848 1 15 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.211 0.694 17690
2849 1 15 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.861 -0.664 17690
2850 1 15 . 1 1 41 41 LYS H H 41 8.087 8.087 8.336 -0.249 17690
2851 1 16 . 1 1 2 2 ALA N N 2 127.360 127.360 125.801 1.559 17690
2852 1 16 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.469 -0.140 17690
2853 1 16 . 1 1 2 2 ALA CA C 2 52.379 52.379 51.887 0.492 17690
2854 1 16 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.326 -0.275 17690
2855 1 16 . 1 1 2 2 ALA H H 2 8.637 8.637 7.944 0.693 17690
2856 1 16 . 1 1 3 3 GLU N N 3 121.660 121.660 121.558 0.102 17690
2857 1 16 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.362 -0.145 17690
2858 1 16 . 1 1 3 3 GLU CA C 3 56.479 56.479 55.987 0.492 17690
2859 1 16 . 1 1 3 3 GLU CB C 3 30.019 30.019 30.897 -0.878 17690
2860 1 16 . 1 1 3 3 GLU H H 3 8.421 8.421 8.595 -0.174 17690
2861 1 16 . 1 1 4 4 ALA N N 4 125.777 125.777 124.570 1.207 17690
2862 1 16 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.311 -0.049 17690
2863 1 16 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.147 0.073 17690
2864 1 16 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.371 -0.267 17690
2865 1 16 . 1 1 4 4 ALA H H 4 8.306 8.306 8.307 -0.001 17690
2866 1 16 . 1 1 5 5 HIS N N 5 118.168 118.168 120.292 -2.124 17690
2867 1 16 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.384 0.322 17690
2868 1 16 . 1 1 5 5 HIS CA C 5 54.669 54.669 57.950 -3.281 17690
2869 1 16 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.359 -1.512 17690
2870 1 16 . 1 1 5 5 HIS H H 5 8.431 8.431 8.736 -0.305 17690
2871 1 16 . 1 1 6 6 GLN N N 6 122.323 122.323 119.882 2.441 17690
2872 1 16 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.453 -0.114 17690
2873 1 16 . 1 1 6 6 GLN CA C 6 55.734 55.734 54.995 0.739 17690
2874 1 16 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.828 -0.234 17690
2875 1 16 . 1 1 6 6 GLN H H 6 8.337 8.337 8.297 0.040 17690
2876 1 16 . 1 1 7 7 ALA N N 7 126.205 126.205 127.379 -1.174 17690
2877 1 16 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.605 -0.256 17690
2878 1 16 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.701 0.359 17690
2879 1 16 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.819 -1.555 17690
2880 1 16 . 1 1 7 7 ALA H H 7 8.374 8.374 8.466 -0.092 17690
2881 1 16 . 1 1 8 8 VAL N N 8 121.228 121.228 121.118 0.110 17690
2882 1 16 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.399 -0.434 17690
2883 1 16 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.855 0.321 17690
2884 1 16 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.717 -2.409 17690
2885 1 16 . 1 1 8 8 VAL H H 8 8.200 8.200 8.376 -0.176 17690
2886 1 16 . 1 1 9 9 ALA N N 9 128.767 128.767 129.807 -1.040 17690
2887 1 16 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.272 0.140 17690
2888 1 16 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.858 -0.519 17690
2889 1 16 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.587 0.638 17690
2890 1 16 . 1 1 9 9 ALA H H 9 8.324 8.324 8.701 -0.377 17690
2891 1 16 . 1 1 10 10 PHE N N 10 115.148 115.148 114.351 0.797 17690
2892 1 16 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.712 -0.327 17690
2893 1 16 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.955 1.938 17690
2894 1 16 . 1 1 10 10 PHE CB C 10 41.944 41.944 41.038 0.905 17690
2895 1 16 . 1 1 10 10 PHE H H 10 7.578 7.578 7.962 -0.384 17690
2896 1 16 . 1 1 11 11 GLN N N 11 123.516 123.516 121.679 1.837 17690
2897 1 16 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.482 -0.028 17690
2898 1 16 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.456 0.852 17690
2899 1 16 . 1 1 11 11 GLN CB C 11 31.771 31.771 32.837 -1.066 17690
2900 1 16 . 1 1 11 11 GLN H H 11 8.653 8.653 8.947 -0.294 17690
2901 1 16 . 1 1 12 12 PHE N N 12 126.845 126.845 125.296 1.549 17690
2902 1 16 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.405 0.176 17690
2903 1 16 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.903 0.416 17690
2904 1 16 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.577 0.740 17690
2905 1 16 . 1 1 12 12 PHE H H 12 8.769 8.769 8.679 0.090 17690
2906 1 16 . 1 1 13 13 THR N N 13 122.078 122.078 123.372 -1.294 17690
2907 1 16 . 1 1 13 13 THR HA H 13 4.492 4.492 4.796 -0.304 17690
2908 1 16 . 1 1 13 13 THR CA C 13 61.111 61.111 61.250 -0.139 17690
2909 1 16 . 1 1 13 13 THR CB C 13 71.757 71.757 71.873 -0.116 17690
2910 1 16 . 1 1 13 13 THR H H 13 8.724 8.724 9.417 -0.693 17690
2911 1 16 . 1 1 14 14 VAL N N 14 125.702 125.702 127.405 -1.703 17690
2912 1 16 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.489 0.003 17690
2913 1 16 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.845 -0.947 17690
2914 1 16 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.775 -0.254 17690
2915 1 16 . 1 1 14 14 VAL H H 14 8.573 8.573 8.667 -0.094 17690
2916 1 16 . 1 1 15 15 THR N N 15 121.390 121.390 121.689 -0.299 17690
2917 1 16 . 1 1 15 15 THR CA C 15 58.895 58.895 58.797 0.098 17690
2918 1 16 . 1 1 15 15 THR CB C 15 68.453 68.453 69.330 -0.877 17690
2919 1 16 . 1 1 15 15 THR H H 15 8.888 8.888 8.975 -0.087 17690
2920 1 16 . 1 1 17 17 ASP N N 17 111.883 111.883 116.768 -4.885 17690
2921 1 16 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.593 0.185 17690
2922 1 16 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.387 -0.197 17690
2923 1 16 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.087 0.641 17690
2924 1 16 . 1 1 17 17 ASP H H 17 7.742 7.742 8.427 -0.685 17690
2925 1 16 . 1 1 18 18 GLY N N 18 110.771 110.771 107.087 3.684 17690
2926 1 16 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.070 0.654 17690
2927 1 16 . 1 1 18 18 GLY H H 18 7.461 7.461 7.900 -0.439 17690
2928 1 16 . 1 1 19 19 ILE N N 19 115.499 115.499 116.409 -0.910 17690
2929 1 16 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.314 -0.126 17690
2930 1 16 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.314 -1.457 17690
2931 1 16 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.343 -0.132 17690
2932 1 16 . 1 1 19 19 ILE H H 19 8.631 8.631 8.217 0.414 17690
2933 1 16 . 1 1 20 20 ASP N N 20 123.215 123.215 123.719 -0.504 17690
2934 1 16 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.184 0.263 17690
2935 1 16 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.286 -0.214 17690
2936 1 16 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.872 -1.650 17690
2937 1 16 . 1 1 20 20 ASP H H 20 8.694 8.694 9.084 -0.390 17690
2938 1 16 . 1 1 21 21 LEU N N 21 129.031 129.031 118.627 10.404 17690
2939 1 16 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.197 0.072 17690
2940 1 16 . 1 1 21 21 LEU CA C 21 53.764 53.764 53.634 0.130 17690
2941 1 16 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.279 0.861 17690
2942 1 16 . 1 1 21 21 LEU H H 21 9.421 9.421 8.293 1.128 17690
2943 1 16 . 1 1 22 22 ARG N N 22 124.860 124.860 123.432 1.428 17690
2944 1 16 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.857 0.528 17690
2945 1 16 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.831 -0.428 17690
2946 1 16 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.742 -0.902 17690
2947 1 16 . 1 1 22 22 ARG H H 22 8.862 8.862 8.931 -0.069 17690
2948 1 16 . 1 1 23 23 LEU N N 23 122.825 122.825 120.310 2.515 17690
2949 1 16 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.499 -0.230 17690
2950 1 16 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.542 -1.376 17690
2951 1 16 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.139 0.315 17690
2952 1 16 . 1 1 23 23 LEU H H 23 8.149 8.149 8.392 -0.243 17690
2953 1 16 . 1 1 24 24 SER N N 24 118.505 118.505 116.789 1.716 17690
2954 1 16 . 1 1 24 24 SER HA H 24 4.189 4.189 4.636 -0.447 17690
2955 1 16 . 1 1 24 24 SER CA C 24 57.331 57.331 57.423 -0.092 17690
2956 1 16 . 1 1 24 24 SER CB C 24 64.678 64.678 65.127 -0.449 17690
2957 1 16 . 1 1 24 24 SER H H 24 8.428 8.428 8.496 -0.068 17690
2958 1 16 . 1 1 25 25 HIS N N 25 120.283 120.283 121.678 -1.395 17690
2959 1 16 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.268 0.225 17690
2960 1 16 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.423 -0.430 17690
2961 1 16 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.765 0.041 17690
2962 1 16 . 1 1 25 25 HIS H H 25 8.280 8.280 9.089 -0.809 17690
2963 1 16 . 1 1 26 26 GLU N N 26 120.235 120.235 119.460 0.775 17690
2964 1 16 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.135 0.171 17690
2965 1 16 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.967 -0.145 17690
2966 1 16 . 1 1 26 26 GLU CB C 26 28.794 28.794 28.992 -0.198 17690
2967 1 16 . 1 1 26 26 GLU H H 26 8.605 8.605 8.694 -0.089 17690
2968 1 16 . 1 1 27 27 ALA N N 27 123.290 123.290 121.791 1.499 17690
2969 1 16 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.084 -0.054 17690
2970 1 16 . 1 1 27 27 ALA CA C 27 55.414 55.414 55.026 0.388 17690
2971 1 16 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.384 0.294 17690
2972 1 16 . 1 1 27 27 ALA H H 27 7.939 7.939 7.605 0.334 17690
2973 1 16 . 1 1 28 28 LEU N N 28 116.982 116.982 118.761 -1.779 17690
2974 1 16 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.962 0.012 17690
2975 1 16 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.570 0.506 17690
2976 1 16 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.483 -0.070 17690
2977 1 16 . 1 1 28 28 LEU H H 28 8.051 8.051 7.525 0.526 17690
2978 1 16 . 1 1 29 29 ARG N N 29 119.663 119.663 119.791 -0.128 17690
2979 1 16 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.977 -0.009 17690
2980 1 16 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.867 0.072 17690
2981 1 16 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.027 0.204 17690
2982 1 16 . 1 1 29 29 ARG H H 29 8.185 8.185 7.701 0.484 17690
2983 1 16 . 1 1 30 30 GLN N N 30 116.955 116.955 118.265 -1.310 17690
2984 1 16 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.117 -0.078 17690
2985 1 16 . 1 1 30 30 GLN CA C 30 58.875 58.875 59.005 -0.130 17690
2986 1 16 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.894 -0.845 17690
2987 1 16 . 1 1 30 30 GLN H H 30 8.097 8.097 7.787 0.310 17690
2988 1 16 . 1 1 31 31 ILE N N 31 121.761 121.761 121.391 0.370 17690
2989 1 16 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.786 -0.111 17690
2990 1 16 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.246 -0.042 17690
2991 1 16 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.178 -1.136 17690
2992 1 16 . 1 1 31 31 ILE H H 31 8.386 8.386 7.762 0.624 17690
2993 1 16 . 1 1 32 32 TYR N N 32 120.917 120.917 120.461 0.456 17690
2994 1 16 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.098 0.030 17690
2995 1 16 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.327 -1.356 17690
2996 1 16 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.583 -0.366 17690
2997 1 16 . 1 1 32 32 TYR H H 32 8.330 8.330 8.293 0.037 17690
2998 1 16 . 1 1 33 33 LEU N N 33 117.824 117.824 118.269 -0.445 17690
2999 1 16 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.563 0.290 17690
3000 1 16 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.740 -0.143 17690
3001 1 16 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.640 0.091 17690
3002 1 16 . 1 1 33 33 LEU H H 33 8.446 8.446 7.764 0.682 17690
3003 1 16 . 1 1 34 34 SER N N 34 114.939 114.939 114.520 0.419 17690
3004 1 16 . 1 1 34 34 SER HA H 34 4.297 4.297 4.262 0.035 17690
3005 1 16 . 1 1 34 34 SER CA C 34 61.643 61.643 61.691 -0.048 17690
3006 1 16 . 1 1 34 34 SER CB C 34 63.560 63.560 62.519 1.041 17690
3007 1 16 . 1 1 34 34 SER H H 34 8.002 8.002 8.427 -0.425 17690
3008 1 16 . 1 1 35 35 GLY N N 35 110.407 110.407 109.827 0.580 17690
3009 1 16 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.487 0.196 17690
3010 1 16 . 1 1 35 35 GLY H H 35 8.354 8.354 7.720 0.634 17690
3011 1 16 . 1 1 36 36 LEU N N 36 121.693 121.693 121.569 0.124 17690
3012 1 16 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.936 0.077 17690
3013 1 16 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.010 0.108 17690
3014 1 16 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.482 0.303 17690
3015 1 16 . 1 1 36 36 LEU H H 36 8.198 8.198 7.489 0.709 17690
3016 1 16 . 1 1 37 37 HIS N N 37 115.842 115.842 117.741 -1.899 17690
3017 1 16 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.524 0.040 17690
3018 1 16 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.941 -2.602 17690
3019 1 16 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.303 -0.403 17690
3020 1 16 . 1 1 37 37 HIS H H 37 7.912 7.912 8.111 -0.199 17690
3021 1 16 . 1 1 38 38 SER N N 38 114.737 114.737 114.659 0.078 17690
3022 1 16 . 1 1 38 38 SER HA H 38 4.342 4.342 4.292 0.050 17690
3023 1 16 . 1 1 38 38 SER CA C 38 59.833 59.833 60.249 -0.416 17690
3024 1 16 . 1 1 38 38 SER CB C 38 62.868 62.868 61.834 1.034 17690
3025 1 16 . 1 1 38 38 SER H H 38 7.871 7.871 7.692 0.179 17690
3026 1 16 . 1 1 39 39 TRP N N 39 122.888 122.888 120.501 2.387 17690
3027 1 16 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.512 -0.020 17690
3028 1 16 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.368 -0.452 17690
3029 1 16 . 1 1 39 39 TRP CB C 39 29.220 29.220 29.813 -0.593 17690
3030 1 16 . 1 1 39 39 TRP H H 39 7.968 7.968 7.350 0.618 17690
3031 1 16 . 1 1 40 40 LYS N N 40 120.822 120.822 120.813 0.009 17690
3032 1 16 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.318 -0.048 17690
3033 1 16 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.468 -0.255 17690
3034 1 16 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.248 -0.678 17690
3035 1 16 . 1 1 40 40 LYS H H 40 7.775 7.775 7.682 0.093 17690
3036 1 16 . 1 1 41 41 LYS N N 41 123.403 123.403 124.885 -1.482 17690
3037 1 16 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.326 -0.127 17690
3038 1 16 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.349 0.556 17690
3039 1 16 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.829 -0.632 17690
3040 1 16 . 1 1 41 41 LYS H H 41 8.087 8.087 8.518 -0.431 17690
3041 1 17 . 1 1 2 2 ALA N N 2 127.360 127.360 125.188 2.172 17690
3042 1 17 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.125 0.204 17690
3043 1 17 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.506 -0.127 17690
3044 1 17 . 1 1 2 2 ALA CB C 2 19.051 19.051 18.688 0.363 17690
3045 1 17 . 1 1 2 2 ALA H H 2 8.637 8.637 8.168 0.469 17690
3046 1 17 . 1 1 3 3 GLU N N 3 121.660 121.660 121.950 -0.290 17690
3047 1 17 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.423 -0.206 17690
3048 1 17 . 1 1 3 3 GLU CA C 3 56.479 56.479 55.800 0.679 17690
3049 1 17 . 1 1 3 3 GLU CB C 3 30.019 30.019 30.939 -0.920 17690
3050 1 17 . 1 1 3 3 GLU H H 3 8.421 8.421 8.425 -0.004 17690
3051 1 17 . 1 1 4 4 ALA N N 4 125.777 125.777 127.232 -1.455 17690
3052 1 17 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.198 0.064 17690
3053 1 17 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.086 0.134 17690
3054 1 17 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.404 -0.300 17690
3055 1 17 . 1 1 4 4 ALA H H 4 8.306 8.306 8.595 -0.289 17690
3056 1 17 . 1 1 5 5 HIS N N 5 118.168 118.168 119.140 -0.972 17690
3057 1 17 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.382 0.324 17690
3058 1 17 . 1 1 5 5 HIS CA C 5 54.669 54.669 57.364 -2.695 17690
3059 1 17 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.356 -1.509 17690
3060 1 17 . 1 1 5 5 HIS H H 5 8.431 8.431 8.476 -0.045 17690
3061 1 17 . 1 1 6 6 GLN N N 6 122.323 122.323 119.334 2.989 17690
3062 1 17 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.636 -0.297 17690
3063 1 17 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.097 0.637 17690
3064 1 17 . 1 1 6 6 GLN CB C 6 29.593 29.593 30.141 -0.548 17690
3065 1 17 . 1 1 6 6 GLN H H 6 8.337 8.337 8.142 0.195 17690
3066 1 17 . 1 1 7 7 ALA N N 7 126.205 126.205 125.297 0.908 17690
3067 1 17 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.642 -0.293 17690
3068 1 17 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.880 0.180 17690
3069 1 17 . 1 1 7 7 ALA CB C 7 19.264 19.264 21.065 -1.801 17690
3070 1 17 . 1 1 7 7 ALA H H 7 8.374 8.374 8.344 0.030 17690
3071 1 17 . 1 1 8 8 VAL N N 8 121.228 121.228 119.175 2.053 17690
3072 1 17 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.538 -0.573 17690
3073 1 17 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.555 0.621 17690
3074 1 17 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.801 -1.493 17690
3075 1 17 . 1 1 8 8 VAL H H 8 8.200 8.200 8.559 -0.359 17690
3076 1 17 . 1 1 9 9 ALA N N 9 128.767 128.767 128.603 0.164 17690
3077 1 17 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.077 0.335 17690
3078 1 17 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.971 -0.633 17690
3079 1 17 . 1 1 9 9 ALA CB C 9 20.225 20.225 18.717 1.508 17690
3080 1 17 . 1 1 9 9 ALA H H 9 8.324 8.324 8.567 -0.243 17690
3081 1 17 . 1 1 10 10 PHE N N 10 115.148 115.148 111.857 3.291 17690
3082 1 17 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.760 -0.375 17690
3083 1 17 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.779 2.115 17690
3084 1 17 . 1 1 10 10 PHE CB C 10 41.944 41.944 41.161 0.783 17690
3085 1 17 . 1 1 10 10 PHE H H 10 7.578 7.578 7.661 -0.083 17690
3086 1 17 . 1 1 11 11 GLN N N 11 123.516 123.516 119.981 3.535 17690
3087 1 17 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.828 -0.374 17690
3088 1 17 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.808 0.500 17690
3089 1 17 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.286 -1.515 17690
3090 1 17 . 1 1 11 11 GLN H H 11 8.653 8.653 9.244 -0.591 17690
3091 1 17 . 1 1 12 12 PHE N N 12 126.845 126.845 126.641 0.204 17690
3092 1 17 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.675 -0.094 17690
3093 1 17 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.499 0.820 17690
3094 1 17 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.549 0.768 17690
3095 1 17 . 1 1 12 12 PHE H H 12 8.769 8.769 8.733 0.036 17690
3096 1 17 . 1 1 13 13 THR N N 13 122.078 122.078 123.963 -1.885 17690
3097 1 17 . 1 1 13 13 THR HA H 13 4.492 4.492 4.341 0.151 17690
3098 1 17 . 1 1 13 13 THR CA C 13 61.111 61.111 61.062 0.049 17690
3099 1 17 . 1 1 13 13 THR CB C 13 71.757 71.757 71.522 0.235 17690
3100 1 17 . 1 1 13 13 THR H H 13 8.724 8.724 9.341 -0.617 17690
3101 1 17 . 1 1 14 14 VAL N N 14 125.702 125.702 127.519 -1.817 17690
3102 1 17 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.512 -0.020 17690
3103 1 17 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.567 -0.669 17690
3104 1 17 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.563 -0.042 17690
3105 1 17 . 1 1 14 14 VAL H H 14 8.573 8.573 8.486 0.087 17690
3106 1 17 . 1 1 15 15 THR N N 15 121.390 121.390 122.425 -1.035 17690
3107 1 17 . 1 1 15 15 THR CA C 15 58.895 58.895 58.082 0.813 17690
3108 1 17 . 1 1 15 15 THR CB C 15 68.453 68.453 70.594 -2.141 17690
3109 1 17 . 1 1 15 15 THR H H 15 8.888 8.888 8.954 -0.066 17690
3110 1 17 . 1 1 17 17 ASP N N 17 111.883 111.883 116.672 -4.789 17690
3111 1 17 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.557 0.221 17690
3112 1 17 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.942 -0.752 17690
3113 1 17 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.621 0.106 17690
3114 1 17 . 1 1 17 17 ASP H H 17 7.742 7.742 7.924 -0.182 17690
3115 1 17 . 1 1 18 18 GLY N N 18 110.771 110.771 106.927 3.844 17690
3116 1 17 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.071 0.653 17690
3117 1 17 . 1 1 18 18 GLY H H 18 7.461 7.461 7.920 -0.459 17690
3118 1 17 . 1 1 19 19 ILE N N 19 115.499 115.499 116.521 -1.022 17690
3119 1 17 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.333 -0.145 17690
3120 1 17 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.297 -1.440 17690
3121 1 17 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.115 0.096 17690
3122 1 17 . 1 1 19 19 ILE H H 19 8.631 8.631 8.224 0.407 17690
3123 1 17 . 1 1 20 20 ASP N N 20 123.215 123.215 124.159 -0.944 17690
3124 1 17 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.133 0.314 17690
3125 1 17 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.218 -0.145 17690
3126 1 17 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.465 -1.243 17690
3127 1 17 . 1 1 20 20 ASP H H 20 8.694 8.694 8.992 -0.298 17690
3128 1 17 . 1 1 21 21 LEU N N 21 129.031 129.031 122.440 6.591 17690
3129 1 17 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.327 -0.058 17690
3130 1 17 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.013 -0.249 17690
3131 1 17 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.732 0.407 17690
3132 1 17 . 1 1 21 21 LEU H H 21 9.421 9.421 8.652 0.769 17690
3133 1 17 . 1 1 22 22 ARG N N 22 124.860 124.860 124.273 0.587 17690
3134 1 17 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.833 0.552 17690
3135 1 17 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.903 -0.499 17690
3136 1 17 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.536 -0.696 17690
3137 1 17 . 1 1 22 22 ARG H H 22 8.862 8.862 9.152 -0.290 17690
3138 1 17 . 1 1 23 23 LEU N N 23 122.825 122.825 123.564 -0.739 17690
3139 1 17 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.154 0.115 17690
3140 1 17 . 1 1 23 23 LEU CA C 23 52.166 52.166 54.197 -2.031 17690
3141 1 17 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.078 0.376 17690
3142 1 17 . 1 1 23 23 LEU H H 23 8.149 8.149 8.560 -0.411 17690
3143 1 17 . 1 1 24 24 SER N N 24 118.505 118.505 118.030 0.475 17690
3144 1 17 . 1 1 24 24 SER HA H 24 4.189 4.189 4.560 -0.371 17690
3145 1 17 . 1 1 24 24 SER CA C 24 57.331 57.331 57.772 -0.441 17690
3146 1 17 . 1 1 24 24 SER CB C 24 64.678 64.678 64.415 0.263 17690
3147 1 17 . 1 1 24 24 SER H H 24 8.428 8.428 8.168 0.260 17690
3148 1 17 . 1 1 25 25 HIS N N 25 120.283 120.283 122.940 -2.657 17690
3149 1 17 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.185 0.308 17690
3150 1 17 . 1 1 25 25 HIS CA C 25 59.993 59.993 59.786 0.207 17690
3151 1 17 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.993 -0.187 17690
3152 1 17 . 1 1 25 25 HIS H H 25 8.280 8.280 8.811 -0.531 17690
3153 1 17 . 1 1 26 26 GLU N N 26 120.235 120.235 119.049 1.186 17690
3154 1 17 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.127 0.179 17690
3155 1 17 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.791 0.030 17690
3156 1 17 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.054 -0.260 17690
3157 1 17 . 1 1 26 26 GLU H H 26 8.605 8.605 8.490 0.115 17690
3158 1 17 . 1 1 27 27 ALA N N 27 123.290 123.290 122.537 0.753 17690
3159 1 17 . 1 1 27 27 ALA HA H 27 4.030 4.030 3.977 0.053 17690
3160 1 17 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.804 0.610 17690
3161 1 17 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.239 0.439 17690
3162 1 17 . 1 1 27 27 ALA H H 27 7.939 7.939 7.897 0.042 17690
3163 1 17 . 1 1 28 28 LEU N N 28 116.982 116.982 118.751 -1.769 17690
3164 1 17 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.968 0.006 17690
3165 1 17 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.571 0.505 17690
3166 1 17 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.558 -0.146 17690
3167 1 17 . 1 1 28 28 LEU H H 28 8.051 8.051 7.541 0.510 17690
3168 1 17 . 1 1 29 29 ARG N N 29 119.663 119.663 119.676 -0.013 17690
3169 1 17 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.957 0.011 17690
3170 1 17 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.757 0.182 17690
3171 1 17 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.001 0.230 17690
3172 1 17 . 1 1 29 29 ARG H H 29 8.185 8.185 7.644 0.541 17690
3173 1 17 . 1 1 30 30 GLN N N 30 116.955 116.955 118.315 -1.360 17690
3174 1 17 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.060 -0.021 17690
3175 1 17 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.910 -0.035 17690
3176 1 17 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.807 -0.758 17690
3177 1 17 . 1 1 30 30 GLN H H 30 8.097 8.097 7.759 0.338 17690
3178 1 17 . 1 1 31 31 ILE N N 31 121.761 121.761 120.926 0.835 17690
3179 1 17 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.643 0.032 17690
3180 1 17 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.238 -0.034 17690
3181 1 17 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.975 -0.933 17690
3182 1 17 . 1 1 31 31 ILE H H 31 8.386 8.386 7.639 0.747 17690
3183 1 17 . 1 1 32 32 TYR N N 32 120.917 120.917 120.576 0.341 17690
3184 1 17 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.071 0.057 17690
3185 1 17 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.153 -1.182 17690
3186 1 17 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.484 -0.267 17690
3187 1 17 . 1 1 32 32 TYR H H 32 8.330 8.330 8.080 0.250 17690
3188 1 17 . 1 1 33 33 LEU N N 33 117.824 117.824 119.197 -1.373 17690
3189 1 17 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.549 0.304 17690
3190 1 17 . 1 1 33 33 LEU CA C 33 57.597 57.597 58.082 -0.485 17690
3191 1 17 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.492 0.239 17690
3192 1 17 . 1 1 33 33 LEU H H 33 8.446 8.446 7.713 0.733 17690
3193 1 17 . 1 1 34 34 SER N N 34 114.939 114.939 114.517 0.422 17690
3194 1 17 . 1 1 34 34 SER HA H 34 4.297 4.297 3.902 0.395 17690
3195 1 17 . 1 1 34 34 SER CA C 34 61.643 61.643 61.763 -0.120 17690
3196 1 17 . 1 1 34 34 SER CB C 34 63.560 63.560 62.951 0.609 17690
3197 1 17 . 1 1 34 34 SER H H 34 8.002 8.002 8.219 -0.217 17690
3198 1 17 . 1 1 35 35 GLY N N 35 110.407 110.407 109.313 1.094 17690
3199 1 17 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.458 0.225 17690
3200 1 17 . 1 1 35 35 GLY H H 35 8.354 8.354 7.526 0.828 17690
3201 1 17 . 1 1 36 36 LEU N N 36 121.693 121.693 121.617 0.076 17690
3202 1 17 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.944 0.069 17690
3203 1 17 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.188 -0.070 17690
3204 1 17 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.682 0.103 17690
3205 1 17 . 1 1 36 36 LEU H H 36 8.198 8.198 7.457 0.741 17690
3206 1 17 . 1 1 37 37 HIS N N 37 115.842 115.842 117.379 -1.537 17690
3207 1 17 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.432 0.132 17690
3208 1 17 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.155 -1.816 17690
3209 1 17 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.688 -0.788 17690
3210 1 17 . 1 1 37 37 HIS H H 37 7.912 7.912 8.064 -0.152 17690
3211 1 17 . 1 1 38 38 SER N N 38 114.737 114.737 114.591 0.146 17690
3212 1 17 . 1 1 38 38 SER HA H 38 4.342 4.342 4.311 0.031 17690
3213 1 17 . 1 1 38 38 SER CA C 38 59.833 59.833 59.842 -0.009 17690
3214 1 17 . 1 1 38 38 SER CB C 38 62.868 62.868 62.212 0.656 17690
3215 1 17 . 1 1 38 38 SER H H 38 7.871 7.871 7.778 0.093 17690
3216 1 17 . 1 1 39 39 TRP N N 39 122.888 122.888 122.818 0.070 17690
3217 1 17 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.439 0.053 17690
3218 1 17 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.990 -1.074 17690
3219 1 17 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.247 -1.027 17690
3220 1 17 . 1 1 39 39 TRP H H 39 7.968 7.968 7.332 0.636 17690
3221 1 17 . 1 1 40 40 LYS N N 40 120.822 120.822 119.654 1.168 17690
3222 1 17 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.241 0.029 17690
3223 1 17 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.161 0.052 17690
3224 1 17 . 1 1 40 40 LYS CB C 40 32.570 32.570 32.906 -0.335 17690
3225 1 17 . 1 1 40 40 LYS H H 40 7.775 7.775 7.689 0.086 17690
3226 1 17 . 1 1 41 41 LYS N N 41 123.403 123.403 122.362 1.041 17690
3227 1 17 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.220 -0.021 17690
3228 1 17 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.366 0.539 17690
3229 1 17 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.002 -0.805 17690
3230 1 17 . 1 1 41 41 LYS H H 41 8.087 8.087 8.199 -0.112 17690
3231 1 18 . 1 1 2 2 ALA N N 2 127.360 127.360 124.030 3.330 17690
3232 1 18 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.170 0.159 17690
3233 1 18 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.520 -0.141 17690
3234 1 18 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.063 -0.012 17690
3235 1 18 . 1 1 2 2 ALA H H 2 8.637 8.637 8.225 0.412 17690
3236 1 18 . 1 1 3 3 GLU N N 3 121.660 121.660 120.894 0.766 17690
3237 1 18 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.529 -0.312 17690
3238 1 18 . 1 1 3 3 GLU CA C 3 56.479 56.479 56.119 0.360 17690
3239 1 18 . 1 1 3 3 GLU CB C 3 30.019 30.019 31.313 -1.294 17690
3240 1 18 . 1 1 3 3 GLU H H 3 8.421 8.421 8.511 -0.090 17690
3241 1 18 . 1 1 4 4 ALA N N 4 125.777 125.777 126.679 -0.902 17690
3242 1 18 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.536 -0.274 17690
3243 1 18 . 1 1 4 4 ALA CA C 4 52.220 52.220 51.616 0.604 17690
3244 1 18 . 1 1 4 4 ALA CB C 4 19.104 19.104 20.376 -1.272 17690
3245 1 18 . 1 1 4 4 ALA H H 4 8.306 8.306 8.306 -0.000 17690
3246 1 18 . 1 1 5 5 HIS N N 5 118.168 118.168 119.328 -1.160 17690
3247 1 18 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.876 -0.170 17690
3248 1 18 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.749 -1.080 17690
3249 1 18 . 1 1 5 5 HIS CB C 5 28.847 28.847 31.932 -3.085 17690
3250 1 18 . 1 1 5 5 HIS H H 5 8.431 8.431 8.511 -0.080 17690
3251 1 18 . 1 1 6 6 GLN N N 6 122.323 122.323 122.404 -0.081 17690
3252 1 18 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.378 -0.039 17690
3253 1 18 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.585 0.149 17690
3254 1 18 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.510 0.083 17690
3255 1 18 . 1 1 6 6 GLN H H 6 8.337 8.337 8.677 -0.340 17690
3256 1 18 . 1 1 7 7 ALA N N 7 126.205 126.205 126.447 -0.242 17690
3257 1 18 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.343 0.006 17690
3258 1 18 . 1 1 7 7 ALA CA C 7 52.060 52.060 52.353 -0.293 17690
3259 1 18 . 1 1 7 7 ALA CB C 7 19.264 19.264 19.625 -0.361 17690
3260 1 18 . 1 1 7 7 ALA H H 7 8.374 8.374 8.405 -0.031 17690
3261 1 18 . 1 1 8 8 VAL N N 8 121.228 121.228 121.459 -0.231 17690
3262 1 18 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.232 -0.267 17690
3263 1 18 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.768 0.408 17690
3264 1 18 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.600 -2.292 17690
3265 1 18 . 1 1 8 8 VAL H H 8 8.200 8.200 8.449 -0.249 17690
3266 1 18 . 1 1 9 9 ALA N N 9 128.767 128.767 130.174 -1.407 17690
3267 1 18 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.130 0.282 17690
3268 1 18 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.958 -0.620 17690
3269 1 18 . 1 1 9 9 ALA CB C 9 20.225 20.225 18.694 1.531 17690
3270 1 18 . 1 1 9 9 ALA H H 9 8.324 8.324 8.618 -0.294 17690
3271 1 18 . 1 1 10 10 PHE N N 10 115.148 115.148 112.015 3.133 17690
3272 1 18 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.735 -0.350 17690
3273 1 18 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.556 2.337 17690
3274 1 18 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.888 1.056 17690
3275 1 18 . 1 1 10 10 PHE H H 10 7.578 7.578 7.738 -0.160 17690
3276 1 18 . 1 1 11 11 GLN N N 11 123.516 123.516 121.305 2.211 17690
3277 1 18 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.845 -0.391 17690
3278 1 18 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.555 0.753 17690
3279 1 18 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.143 -1.372 17690
3280 1 18 . 1 1 11 11 GLN H H 11 8.653 8.653 9.208 -0.555 17690
3281 1 18 . 1 1 12 12 PHE N N 12 126.845 126.845 126.992 -0.147 17690
3282 1 18 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.676 -0.095 17690
3283 1 18 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.562 0.757 17690
3284 1 18 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.396 0.921 17690
3285 1 18 . 1 1 12 12 PHE H H 12 8.769 8.769 8.840 -0.071 17690
3286 1 18 . 1 1 13 13 THR N N 13 122.078 122.078 124.333 -2.255 17690
3287 1 18 . 1 1 13 13 THR HA H 13 4.492 4.492 4.323 0.169 17690
3288 1 18 . 1 1 13 13 THR CA C 13 61.111 61.111 61.088 0.023 17690
3289 1 18 . 1 1 13 13 THR CB C 13 71.757 71.757 71.861 -0.104 17690
3290 1 18 . 1 1 13 13 THR H H 13 8.724 8.724 9.198 -0.474 17690
3291 1 18 . 1 1 14 14 VAL N N 14 125.702 125.702 127.079 -1.377 17690
3292 1 18 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.601 -0.109 17690
3293 1 18 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.223 -0.325 17690
3294 1 18 . 1 1 14 14 VAL CB C 14 32.521 32.521 33.467 -0.946 17690
3295 1 18 . 1 1 14 14 VAL H H 14 8.573 8.573 8.366 0.207 17690
3296 1 18 . 1 1 15 15 THR N N 15 121.390 121.390 122.633 -1.243 17690
3297 1 18 . 1 1 15 15 THR CA C 15 58.895 58.895 58.705 0.190 17690
3298 1 18 . 1 1 15 15 THR CB C 15 68.453 68.453 69.068 -0.615 17690
3299 1 18 . 1 1 15 15 THR H H 15 8.888 8.888 8.791 0.097 17690
3300 1 18 . 1 1 17 17 ASP N N 17 111.883 111.883 116.739 -4.856 17690
3301 1 18 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.602 0.176 17690
3302 1 18 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.415 -0.225 17690
3303 1 18 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.127 0.600 17690
3304 1 18 . 1 1 17 17 ASP H H 17 7.742 7.742 8.420 -0.678 17690
3305 1 18 . 1 1 18 18 GLY N N 18 110.771 110.771 106.993 3.778 17690
3306 1 18 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.085 0.639 17690
3307 1 18 . 1 1 18 18 GLY H H 18 7.461 7.461 7.881 -0.420 17690
3308 1 18 . 1 1 19 19 ILE N N 19 115.499 115.499 116.737 -1.238 17690
3309 1 18 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.304 -0.116 17690
3310 1 18 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.241 -1.384 17690
3311 1 18 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.164 0.047 17690
3312 1 18 . 1 1 19 19 ILE H H 19 8.631 8.631 8.222 0.409 17690
3313 1 18 . 1 1 20 20 ASP N N 20 123.215 123.215 123.377 -0.162 17690
3314 1 18 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.093 0.354 17690
3315 1 18 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.019 0.053 17690
3316 1 18 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.707 -1.485 17690
3317 1 18 . 1 1 20 20 ASP H H 20 8.694 8.694 9.017 -0.323 17690
3318 1 18 . 1 1 21 21 LEU N N 21 129.031 129.031 123.736 5.295 17690
3319 1 18 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.327 -0.058 17690
3320 1 18 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.400 -0.636 17690
3321 1 18 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.551 0.588 17690
3322 1 18 . 1 1 21 21 LEU H H 21 9.421 9.421 8.623 0.798 17690
3323 1 18 . 1 1 22 22 ARG N N 22 124.860 124.860 124.505 0.355 17690
3324 1 18 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.704 0.681 17690
3325 1 18 . 1 1 22 22 ARG CA C 22 54.403 54.403 55.043 -0.640 17690
3326 1 18 . 1 1 22 22 ARG CB C 22 32.840 32.840 32.770 0.070 17690
3327 1 18 . 1 1 22 22 ARG H H 22 8.862 8.862 9.208 -0.346 17690
3328 1 18 . 1 1 23 23 LEU N N 23 122.825 122.825 123.833 -1.008 17690
3329 1 18 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.171 0.098 17690
3330 1 18 . 1 1 23 23 LEU CA C 23 52.166 52.166 54.072 -1.906 17690
3331 1 18 . 1 1 23 23 LEU CB C 23 45.454 45.454 44.986 0.468 17690
3332 1 18 . 1 1 23 23 LEU H H 23 8.149 8.149 8.485 -0.336 17690
3333 1 18 . 1 1 24 24 SER N N 24 118.505 118.505 117.757 0.748 17690
3334 1 18 . 1 1 24 24 SER HA H 24 4.189 4.189 4.517 -0.328 17690
3335 1 18 . 1 1 24 24 SER CA C 24 57.331 57.331 57.730 -0.399 17690
3336 1 18 . 1 1 24 24 SER CB C 24 64.678 64.678 64.423 0.255 17690
3337 1 18 . 1 1 24 24 SER H H 24 8.428 8.428 8.328 0.100 17690
3338 1 18 . 1 1 25 25 HIS N N 25 120.283 120.283 123.189 -2.906 17690
3339 1 18 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.264 0.229 17690
3340 1 18 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.082 -0.089 17690
3341 1 18 . 1 1 25 25 HIS CB C 25 29.806 29.806 30.139 -0.333 17690
3342 1 18 . 1 1 25 25 HIS H H 25 8.280 8.280 9.067 -0.787 17690
3343 1 18 . 1 1 26 26 GLU N N 26 120.235 120.235 118.359 1.876 17690
3344 1 18 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.134 0.172 17690
3345 1 18 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.881 -0.060 17690
3346 1 18 . 1 1 26 26 GLU CB C 26 28.794 28.794 28.860 -0.066 17690
3347 1 18 . 1 1 26 26 GLU H H 26 8.605 8.605 8.796 -0.191 17690
3348 1 18 . 1 1 27 27 ALA N N 27 123.290 123.290 122.255 1.035 17690
3349 1 18 . 1 1 27 27 ALA HA H 27 4.030 4.030 3.996 0.034 17690
3350 1 18 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.718 0.696 17690
3351 1 18 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.006 0.672 17690
3352 1 18 . 1 1 27 27 ALA H H 27 7.939 7.939 7.687 0.252 17690
3353 1 18 . 1 1 28 28 LEU N N 28 116.982 116.982 118.352 -1.370 17690
3354 1 18 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.948 0.026 17690
3355 1 18 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.715 0.361 17690
3356 1 18 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.566 -0.154 17690
3357 1 18 . 1 1 28 28 LEU H H 28 8.051 8.051 7.469 0.582 17690
3358 1 18 . 1 1 29 29 ARG N N 29 119.663 119.663 119.029 0.634 17690
3359 1 18 . 1 1 29 29 ARG HA H 29 3.968 3.968 4.020 -0.052 17690
3360 1 18 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.961 -0.022 17690
3361 1 18 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.933 0.298 17690
3362 1 18 . 1 1 29 29 ARG H H 29 8.185 8.185 7.675 0.510 17690
3363 1 18 . 1 1 30 30 GLN N N 30 116.955 116.955 119.127 -2.172 17690
3364 1 18 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.114 -0.075 17690
3365 1 18 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.846 0.029 17690
3366 1 18 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.719 -0.670 17690
3367 1 18 . 1 1 30 30 GLN H H 30 8.097 8.097 7.753 0.344 17690
3368 1 18 . 1 1 31 31 ILE N N 31 121.761 121.761 120.986 0.775 17690
3369 1 18 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.677 -0.002 17690
3370 1 18 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.374 -0.169 17690
3371 1 18 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.975 -0.933 17690
3372 1 18 . 1 1 31 31 ILE H H 31 8.386 8.386 7.668 0.718 17690
3373 1 18 . 1 1 32 32 TYR N N 32 120.917 120.917 120.349 0.568 17690
3374 1 18 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.147 -0.019 17690
3375 1 18 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.322 -1.351 17690
3376 1 18 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.720 -0.503 17690
3377 1 18 . 1 1 32 32 TYR H H 32 8.330 8.330 8.046 0.284 17690
3378 1 18 . 1 1 33 33 LEU N N 33 117.824 117.824 119.021 -1.197 17690
3379 1 18 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.791 0.062 17690
3380 1 18 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.960 -0.363 17690
3381 1 18 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.719 0.012 17690
3382 1 18 . 1 1 33 33 LEU H H 33 8.446 8.446 7.922 0.524 17690
3383 1 18 . 1 1 34 34 SER N N 34 114.939 114.939 114.085 0.854 17690
3384 1 18 . 1 1 34 34 SER HA H 34 4.297 4.297 4.079 0.218 17690
3385 1 18 . 1 1 34 34 SER CA C 34 61.643 61.643 61.455 0.188 17690
3386 1 18 . 1 1 34 34 SER CB C 34 63.560 63.560 62.982 0.578 17690
3387 1 18 . 1 1 34 34 SER H H 34 8.002 8.002 8.664 -0.662 17690
3388 1 18 . 1 1 35 35 GLY N N 35 110.407 110.407 108.740 1.667 17690
3389 1 18 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.547 0.136 17690
3390 1 18 . 1 1 35 35 GLY H H 35 8.354 8.354 7.694 0.660 17690
3391 1 18 . 1 1 36 36 LEU N N 36 121.693 121.693 123.790 -2.097 17690
3392 1 18 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.908 0.105 17690
3393 1 18 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.207 -0.089 17690
3394 1 18 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.672 0.113 17690
3395 1 18 . 1 1 36 36 LEU H H 36 8.198 8.198 7.932 0.266 17690
3396 1 18 . 1 1 37 37 HIS N N 37 115.842 115.842 117.074 -1.232 17690
3397 1 18 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.535 0.029 17690
3398 1 18 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.110 -2.771 17690
3399 1 18 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.484 -0.584 17690
3400 1 18 . 1 1 37 37 HIS H H 37 7.912 7.912 8.241 -0.329 17690
3401 1 18 . 1 1 38 38 SER N N 38 114.737 114.737 116.045 -1.308 17690
3402 1 18 . 1 1 38 38 SER HA H 38 4.342 4.342 4.292 0.050 17690
3403 1 18 . 1 1 38 38 SER CA C 38 59.833 59.833 60.408 -0.575 17690
3404 1 18 . 1 1 38 38 SER CB C 38 62.868 62.868 62.011 0.857 17690
3405 1 18 . 1 1 38 38 SER H H 38 7.871 7.871 7.775 0.096 17690
3406 1 18 . 1 1 39 39 TRP N N 39 122.888 122.888 122.270 0.618 17690
3407 1 18 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.443 0.049 17690
3408 1 18 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.823 -0.907 17690
3409 1 18 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.178 -0.958 17690
3410 1 18 . 1 1 39 39 TRP H H 39 7.968 7.968 7.408 0.560 17690
3411 1 18 . 1 1 40 40 LYS N N 40 120.822 120.822 119.304 1.518 17690
3412 1 18 . 1 1 40 40 LYS HA H 40 4.270 4.270 3.969 0.301 17690
3413 1 18 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.539 -0.326 17690
3414 1 18 . 1 1 40 40 LYS CB C 40 32.570 32.570 30.779 1.791 17690
3415 1 18 . 1 1 40 40 LYS H H 40 7.775 7.775 7.737 0.038 17690
3416 1 18 . 1 1 41 41 LYS N N 41 123.403 123.403 121.738 1.665 17690
3417 1 18 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.610 -0.411 17690
3418 1 18 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.718 0.187 17690
3419 1 18 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.131 -0.934 17690
3420 1 18 . 1 1 41 41 LYS H H 41 8.087 8.087 8.374 -0.287 17690
3421 1 19 . 1 1 2 2 ALA N N 2 127.360 127.360 124.737 2.623 17690
3422 1 19 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.427 -0.098 17690
3423 1 19 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.166 0.213 17690
3424 1 19 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.468 -0.417 17690
3425 1 19 . 1 1 2 2 ALA H H 2 8.637 8.637 7.846 0.791 17690
3426 1 19 . 1 1 3 3 GLU N N 3 121.660 121.660 120.703 0.957 17690
3427 1 19 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.098 0.119 17690
3428 1 19 . 1 1 3 3 GLU CA C 3 56.479 56.479 57.263 -0.784 17690
3429 1 19 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.760 0.259 17690
3430 1 19 . 1 1 3 3 GLU H H 3 8.421 8.421 8.688 -0.267 17690
3431 1 19 . 1 1 4 4 ALA N N 4 125.777 125.777 123.355 2.422 17690
3432 1 19 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.165 0.097 17690
3433 1 19 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.204 0.016 17690
3434 1 19 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.334 -0.230 17690
3435 1 19 . 1 1 4 4 ALA H H 4 8.306 8.306 7.579 0.728 17690
3436 1 19 . 1 1 5 5 HIS N N 5 118.168 118.168 119.849 -1.681 17690
3437 1 19 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.732 -0.026 17690
3438 1 19 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.756 -1.087 17690
3439 1 19 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.978 -2.131 17690
3440 1 19 . 1 1 5 5 HIS H H 5 8.431 8.431 8.457 -0.026 17690
3441 1 19 . 1 1 6 6 GLN N N 6 122.323 122.323 123.939 -1.616 17690
3442 1 19 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.453 -0.114 17690
3443 1 19 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.875 -0.141 17690
3444 1 19 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.460 0.133 17690
3445 1 19 . 1 1 6 6 GLN H H 6 8.337 8.337 8.587 -0.250 17690
3446 1 19 . 1 1 7 7 ALA N N 7 126.205 126.205 125.378 0.827 17690
3447 1 19 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.663 -0.314 17690
3448 1 19 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.474 0.586 17690
3449 1 19 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.922 -1.659 17690
3450 1 19 . 1 1 7 7 ALA H H 7 8.374 8.374 8.331 0.043 17690
3451 1 19 . 1 1 8 8 VAL N N 8 121.228 121.228 120.478 0.750 17690
3452 1 19 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.346 -0.381 17690
3453 1 19 . 1 1 8 8 VAL CA C 8 62.176 62.176 62.463 -0.287 17690
3454 1 19 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.210 -0.902 17690
3455 1 19 . 1 1 8 8 VAL H H 8 8.200 8.200 8.525 -0.325 17690
3456 1 19 . 1 1 9 9 ALA N N 9 128.767 128.767 129.683 -0.916 17690
3457 1 19 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.446 -0.034 17690
3458 1 19 . 1 1 9 9 ALA CA C 9 53.338 53.338 52.788 0.550 17690
3459 1 19 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.653 0.572 17690
3460 1 19 . 1 1 9 9 ALA H H 9 8.324 8.324 8.365 -0.041 17690
3461 1 19 . 1 1 10 10 PHE N N 10 115.148 115.148 115.687 -0.539 17690
3462 1 19 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.775 -0.390 17690
3463 1 19 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.799 2.094 17690
3464 1 19 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.350 1.594 17690
3465 1 19 . 1 1 10 10 PHE H H 10 7.578 7.578 7.680 -0.102 17690
3466 1 19 . 1 1 11 11 GLN N N 11 123.516 123.516 121.307 2.209 17690
3467 1 19 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.842 -0.388 17690
3468 1 19 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.724 0.584 17690
3469 1 19 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.273 -1.502 17690
3470 1 19 . 1 1 11 11 GLN H H 11 8.653 8.653 9.037 -0.384 17690
3471 1 19 . 1 1 12 12 PHE N N 12 126.845 126.845 125.810 1.035 17690
3472 1 19 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.676 -0.095 17690
3473 1 19 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.389 0.930 17690
3474 1 19 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.276 1.041 17690
3475 1 19 . 1 1 12 12 PHE H H 12 8.769 8.769 8.788 -0.019 17690
3476 1 19 . 1 1 13 13 THR N N 13 122.078 122.078 121.882 0.196 17690
3477 1 19 . 1 1 13 13 THR HA H 13 4.492 4.492 4.439 0.053 17690
3478 1 19 . 1 1 13 13 THR CA C 13 61.111 61.111 60.514 0.597 17690
3479 1 19 . 1 1 13 13 THR CB C 13 71.757 71.757 71.499 0.259 17690
3480 1 19 . 1 1 13 13 THR H H 13 8.724 8.724 9.201 -0.477 17690
3481 1 19 . 1 1 14 14 VAL N N 14 125.702 125.702 127.477 -1.775 17690
3482 1 19 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.492 0.000 17690
3483 1 19 . 1 1 14 14 VAL CA C 14 60.898 60.898 60.810 0.087 17690
3484 1 19 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.949 -0.428 17690
3485 1 19 . 1 1 14 14 VAL H H 14 8.573 8.573 8.479 0.094 17690
3486 1 19 . 1 1 15 15 THR N N 15 121.390 121.390 123.052 -1.662 17690
3487 1 19 . 1 1 15 15 THR CA C 15 58.895 58.895 58.801 0.094 17690
3488 1 19 . 1 1 15 15 THR CB C 15 68.453 68.453 70.769 -2.316 17690
3489 1 19 . 1 1 15 15 THR H H 15 8.888 8.888 8.897 -0.009 17690
3490 1 19 . 1 1 17 17 ASP N N 17 111.883 111.883 116.799 -4.916 17690
3491 1 19 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.588 0.190 17690
3492 1 19 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.945 -0.755 17690
3493 1 19 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.702 0.025 17690
3494 1 19 . 1 1 17 17 ASP H H 17 7.742 7.742 8.124 -0.382 17690
3495 1 19 . 1 1 18 18 GLY N N 18 110.771 110.771 106.812 3.959 17690
3496 1 19 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.096 0.628 17690
3497 1 19 . 1 1 18 18 GLY H H 18 7.461 7.461 7.814 -0.353 17690
3498 1 19 . 1 1 19 19 ILE N N 19 115.499 115.499 116.684 -1.185 17690
3499 1 19 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.276 -0.088 17690
3500 1 19 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.263 -1.406 17690
3501 1 19 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.192 0.019 17690
3502 1 19 . 1 1 19 19 ILE H H 19 8.631 8.631 8.231 0.400 17690
3503 1 19 . 1 1 20 20 ASP N N 20 123.215 123.215 123.536 -0.321 17690
3504 1 19 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.092 0.355 17690
3505 1 19 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.794 0.278 17690
3506 1 19 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.608 -1.386 17690
3507 1 19 . 1 1 20 20 ASP H H 20 8.694 8.694 9.023 -0.329 17690
3508 1 19 . 1 1 21 21 LEU N N 21 129.031 129.031 123.470 5.561 17690
3509 1 19 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.343 -0.074 17690
3510 1 19 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.358 -0.594 17690
3511 1 19 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.717 0.422 17690
3512 1 19 . 1 1 21 21 LEU H H 21 9.421 9.421 8.604 0.817 17690
3513 1 19 . 1 1 22 22 ARG N N 22 124.860 124.860 124.138 0.722 17690
3514 1 19 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.746 0.639 17690
3515 1 19 . 1 1 22 22 ARG CA C 22 54.403 54.403 55.033 -0.630 17690
3516 1 19 . 1 1 22 22 ARG CB C 22 32.840 32.840 32.948 -0.108 17690
3517 1 19 . 1 1 22 22 ARG H H 22 8.862 8.862 9.060 -0.198 17690
3518 1 19 . 1 1 23 23 LEU N N 23 122.825 122.825 123.857 -1.032 17690
3519 1 19 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.208 0.061 17690
3520 1 19 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.259 -1.093 17690
3521 1 19 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.091 0.363 17690
3522 1 19 . 1 1 23 23 LEU H H 23 8.149 8.149 8.523 -0.374 17690
3523 1 19 . 1 1 24 24 SER N N 24 118.505 118.505 118.516 -0.011 17690
3524 1 19 . 1 1 24 24 SER HA H 24 4.189 4.189 4.557 -0.368 17690
3525 1 19 . 1 1 24 24 SER CA C 24 57.331 57.331 57.817 -0.486 17690
3526 1 19 . 1 1 24 24 SER CB C 24 64.678 64.678 65.619 -0.941 17690
3527 1 19 . 1 1 24 24 SER H H 24 8.428 8.428 8.743 -0.315 17690
3528 1 19 . 1 1 25 25 HIS N N 25 120.283 120.283 124.144 -3.861 17690
3529 1 19 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.238 0.255 17690
3530 1 19 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.378 -0.385 17690
3531 1 19 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.760 0.046 17690
3532 1 19 . 1 1 25 25 HIS H H 25 8.280 8.280 8.944 -0.664 17690
3533 1 19 . 1 1 26 26 GLU N N 26 120.235 120.235 119.577 0.658 17690
3534 1 19 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.068 0.238 17690
3535 1 19 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.888 -0.067 17690
3536 1 19 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.237 -0.443 17690
3537 1 19 . 1 1 26 26 GLU H H 26 8.605 8.605 8.709 -0.104 17690
3538 1 19 . 1 1 27 27 ALA N N 27 123.290 123.290 122.286 1.004 17690
3539 1 19 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.027 0.003 17690
3540 1 19 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.951 0.463 17690
3541 1 19 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.316 0.362 17690
3542 1 19 . 1 1 27 27 ALA H H 27 7.939 7.939 7.677 0.262 17690
3543 1 19 . 1 1 28 28 LEU N N 28 116.982 116.982 119.064 -2.082 17690
3544 1 19 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.968 0.006 17690
3545 1 19 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.684 0.392 17690
3546 1 19 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.513 -0.101 17690
3547 1 19 . 1 1 28 28 LEU H H 28 8.051 8.051 7.480 0.571 17690
3548 1 19 . 1 1 29 29 ARG N N 29 119.663 119.663 119.633 0.030 17690
3549 1 19 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.959 0.009 17690
3550 1 19 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.877 0.062 17690
3551 1 19 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.994 0.238 17690
3552 1 19 . 1 1 29 29 ARG H H 29 8.185 8.185 7.645 0.540 17690
3553 1 19 . 1 1 30 30 GLN N N 30 116.955 116.955 118.456 -1.501 17690
3554 1 19 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.137 -0.098 17690
3555 1 19 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.857 0.018 17690
3556 1 19 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.796 -0.747 17690
3557 1 19 . 1 1 30 30 GLN H H 30 8.097 8.097 7.705 0.392 17690
3558 1 19 . 1 1 31 31 ILE N N 31 121.761 121.761 121.058 0.703 17690
3559 1 19 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.689 -0.014 17690
3560 1 19 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.370 -0.166 17690
3561 1 19 . 1 1 31 31 ILE CB C 31 37.042 37.042 38.006 -0.964 17690
3562 1 19 . 1 1 31 31 ILE H H 31 8.386 8.386 7.832 0.554 17690
3563 1 19 . 1 1 32 32 TYR N N 32 120.917 120.917 120.368 0.549 17690
3564 1 19 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.128 0.000 17690
3565 1 19 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.199 -1.228 17690
3566 1 19 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.600 -0.383 17690
3567 1 19 . 1 1 32 32 TYR H H 32 8.330 8.330 8.267 0.063 17690
3568 1 19 . 1 1 33 33 LEU N N 33 117.824 117.824 118.664 -0.840 17690
3569 1 19 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.621 0.232 17690
3570 1 19 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.811 -0.214 17690
3571 1 19 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.715 0.016 17690
3572 1 19 . 1 1 33 33 LEU H H 33 8.446 8.446 7.806 0.640 17690
3573 1 19 . 1 1 34 34 SER N N 34 114.939 114.939 114.579 0.360 17690
3574 1 19 . 1 1 34 34 SER HA H 34 4.297 4.297 4.184 0.113 17690
3575 1 19 . 1 1 34 34 SER CA C 34 61.643 61.643 61.759 -0.116 17690
3576 1 19 . 1 1 34 34 SER CB C 34 63.560 63.560 62.925 0.635 17690
3577 1 19 . 1 1 34 34 SER H H 34 8.002 8.002 8.560 -0.558 17690
3578 1 19 . 1 1 35 35 GLY N N 35 110.407 110.407 109.103 1.304 17690
3579 1 19 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.667 0.016 17690
3580 1 19 . 1 1 35 35 GLY H H 35 8.354 8.354 7.767 0.587 17690
3581 1 19 . 1 1 36 36 LEU N N 36 121.693 121.693 123.292 -1.599 17690
3582 1 19 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.035 -0.022 17690
3583 1 19 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.345 -0.227 17690
3584 1 19 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.695 0.090 17690
3585 1 19 . 1 1 36 36 LEU H H 36 8.198 8.198 7.644 0.554 17690
3586 1 19 . 1 1 37 37 HIS N N 37 115.842 115.842 116.052 -0.210 17690
3587 1 19 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.589 -0.025 17690
3588 1 19 . 1 1 37 37 HIS CA C 37 56.339 56.339 58.332 -1.993 17690
3589 1 19 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.333 -0.433 17690
3590 1 19 . 1 1 37 37 HIS H H 37 7.912 7.912 8.144 -0.232 17690
3591 1 19 . 1 1 38 38 SER N N 38 114.737 114.737 116.343 -1.606 17690
3592 1 19 . 1 1 38 38 SER HA H 38 4.342 4.342 4.286 0.056 17690
3593 1 19 . 1 1 38 38 SER CA C 38 59.833 59.833 60.436 -0.603 17690
3594 1 19 . 1 1 38 38 SER CB C 38 62.868 62.868 61.963 0.905 17690
3595 1 19 . 1 1 38 38 SER H H 38 7.871 7.871 7.922 -0.051 17690
3596 1 19 . 1 1 39 39 TRP N N 39 122.888 122.888 120.502 2.386 17690
3597 1 19 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.609 -0.117 17690
3598 1 19 . 1 1 39 39 TRP CA C 39 57.916 57.916 57.866 0.050 17690
3599 1 19 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.039 -0.819 17690
3600 1 19 . 1 1 39 39 TRP H H 39 7.968 7.968 7.433 0.535 17690
3601 1 19 . 1 1 40 40 LYS N N 40 120.822 120.822 119.868 0.954 17690
3602 1 19 . 1 1 40 40 LYS HA H 40 4.270 4.270 3.949 0.321 17690
3603 1 19 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.591 -0.378 17690
3604 1 19 . 1 1 40 40 LYS CB C 40 32.570 32.570 30.877 1.693 17690
3605 1 19 . 1 1 40 40 LYS H H 40 7.775 7.775 7.640 0.135 17690
3606 1 19 . 1 1 41 41 LYS N N 41 123.403 123.403 122.333 1.070 17690
3607 1 19 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.276 -0.077 17690
3608 1 19 . 1 1 41 41 LYS CA C 41 56.905 56.905 57.268 -0.363 17690
3609 1 19 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.830 -0.633 17690
3610 1 19 . 1 1 41 41 LYS H H 41 8.087 8.087 8.346 -0.259 17690
3611 1 20 . 1 1 2 2 ALA N N 2 127.360 127.360 122.814 4.546 17690
3612 1 20 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.552 -0.223 17690
3613 1 20 . 1 1 2 2 ALA CA C 2 52.379 52.379 51.873 0.506 17690
3614 1 20 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.441 -0.390 17690
3615 1 20 . 1 1 2 2 ALA H H 2 8.637 8.637 7.920 0.717 17690
3616 1 20 . 1 1 3 3 GLU N N 3 121.660 121.660 120.133 1.527 17690
3617 1 20 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.231 -0.014 17690
3618 1 20 . 1 1 3 3 GLU CA C 3 56.479 56.479 56.461 0.018 17690
3619 1 20 . 1 1 3 3 GLU CB C 3 30.019 30.019 29.914 0.105 17690
3620 1 20 . 1 1 3 3 GLU H H 3 8.421 8.421 8.124 0.297 17690
3621 1 20 . 1 1 4 4 ALA N N 4 125.777 125.777 127.408 -1.631 17690
3622 1 20 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.184 0.078 17690
3623 1 20 . 1 1 4 4 ALA CA C 4 52.220 52.220 52.358 -0.139 17690
3624 1 20 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.433 -0.330 17690
3625 1 20 . 1 1 4 4 ALA H H 4 8.306 8.306 8.147 0.159 17690
3626 1 20 . 1 1 5 5 HIS N N 5 118.168 118.168 119.708 -1.540 17690
3627 1 20 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.767 -0.061 17690
3628 1 20 . 1 1 5 5 HIS CA C 5 54.669 54.669 55.868 -1.199 17690
3629 1 20 . 1 1 5 5 HIS CB C 5 28.847 28.847 31.332 -2.485 17690
3630 1 20 . 1 1 5 5 HIS H H 5 8.431 8.431 8.449 -0.018 17690
3631 1 20 . 1 1 6 6 GLN N N 6 122.323 122.323 123.105 -0.782 17690
3632 1 20 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.628 -0.289 17690
3633 1 20 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.251 0.483 17690
3634 1 20 . 1 1 6 6 GLN CB C 6 29.593 29.593 30.238 -0.644 17690
3635 1 20 . 1 1 6 6 GLN H H 6 8.337 8.337 8.599 -0.262 17690
3636 1 20 . 1 1 7 7 ALA N N 7 126.205 126.205 125.957 0.248 17690
3637 1 20 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.787 -0.438 17690
3638 1 20 . 1 1 7 7 ALA CA C 7 52.060 52.060 51.731 0.329 17690
3639 1 20 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.410 -1.146 17690
3640 1 20 . 1 1 7 7 ALA H H 7 8.374 8.374 8.430 -0.056 17690
3641 1 20 . 1 1 8 8 VAL N N 8 121.228 121.228 119.178 2.050 17690
3642 1 20 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.582 -0.617 17690
3643 1 20 . 1 1 8 8 VAL CA C 8 62.176 62.176 60.502 1.674 17690
3644 1 20 . 1 1 8 8 VAL CB C 8 32.308 32.308 33.679 -1.371 17690
3645 1 20 . 1 1 8 8 VAL H H 8 8.200 8.200 7.978 0.222 17690
3646 1 20 . 1 1 9 9 ALA N N 9 128.767 128.767 122.768 5.999 17690
3647 1 20 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.554 -0.142 17690
3648 1 20 . 1 1 9 9 ALA CA C 9 53.338 53.338 54.122 -0.784 17690
3649 1 20 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.431 0.794 17690
3650 1 20 . 1 1 9 9 ALA H H 9 8.324 8.324 8.443 -0.119 17690
3651 1 20 . 1 1 10 10 PHE N N 10 115.148 115.148 114.308 0.840 17690
3652 1 20 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.729 -0.344 17690
3653 1 20 . 1 1 10 10 PHE CA C 10 55.893 55.893 53.814 2.079 17690
3654 1 20 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.945 0.999 17690
3655 1 20 . 1 1 10 10 PHE H H 10 7.578 7.578 7.966 -0.388 17690
3656 1 20 . 1 1 11 11 GLN N N 11 123.516 123.516 123.129 0.387 17690
3657 1 20 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.550 -0.096 17690
3658 1 20 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.103 1.205 17690
3659 1 20 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.390 -1.619 17690
3660 1 20 . 1 1 11 11 GLN H H 11 8.653 8.653 9.090 -0.437 17690
3661 1 20 . 1 1 12 12 PHE N N 12 126.845 126.845 127.119 -0.274 17690
3662 1 20 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.635 -0.054 17690
3663 1 20 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.097 1.222 17690
3664 1 20 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.159 1.158 17690
3665 1 20 . 1 1 12 12 PHE H H 12 8.769 8.769 8.601 0.168 17690
3666 1 20 . 1 1 13 13 THR N N 13 122.078 122.078 120.930 1.148 17690
3667 1 20 . 1 1 13 13 THR HA H 13 4.492 4.492 4.446 0.046 17690
3668 1 20 . 1 1 13 13 THR CA C 13 61.111 61.111 60.406 0.705 17690
3669 1 20 . 1 1 13 13 THR CB C 13 71.757 71.757 71.709 0.048 17690
3670 1 20 . 1 1 13 13 THR H H 13 8.724 8.724 9.187 -0.463 17690
3671 1 20 . 1 1 14 14 VAL N N 14 125.702 125.702 127.500 -1.798 17690
3672 1 20 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.471 0.021 17690
3673 1 20 . 1 1 14 14 VAL CA C 14 60.898 60.898 62.008 -1.109 17690
3674 1 20 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.810 -0.289 17690
3675 1 20 . 1 1 14 14 VAL H H 14 8.573 8.573 8.399 0.174 17690
3676 1 20 . 1 1 15 15 THR N N 15 121.390 121.390 122.422 -1.032 17690
3677 1 20 . 1 1 15 15 THR CA C 15 58.895 58.895 58.431 0.464 17690
3678 1 20 . 1 1 15 15 THR CB C 15 68.453 68.453 70.919 -2.466 17690
3679 1 20 . 1 1 15 15 THR H H 15 8.888 8.888 8.938 -0.050 17690
3680 1 20 . 1 1 17 17 ASP N N 17 111.883 111.883 118.319 -6.436 17690
3681 1 20 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.641 0.137 17690
3682 1 20 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.767 -0.577 17690
3683 1 20 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.964 -0.237 17690
3684 1 20 . 1 1 17 17 ASP H H 17 7.742 7.742 8.337 -0.595 17690
3685 1 20 . 1 1 18 18 GLY N N 18 110.771 110.771 107.098 3.673 17690
3686 1 20 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.103 0.621 17690
3687 1 20 . 1 1 18 18 GLY H H 18 7.461 7.461 7.745 -0.284 17690
3688 1 20 . 1 1 19 19 ILE N N 19 115.499 115.499 116.809 -1.310 17690
3689 1 20 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.275 -0.087 17690
3690 1 20 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.161 -1.304 17690
3691 1 20 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.205 0.006 17690
3692 1 20 . 1 1 19 19 ILE H H 19 8.631 8.631 8.233 0.398 17690
3693 1 20 . 1 1 20 20 ASP N N 20 123.215 123.215 123.460 -0.245 17690
3694 1 20 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.067 0.380 17690
3695 1 20 . 1 1 20 20 ASP CA C 20 53.072 53.072 52.778 0.294 17690
3696 1 20 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.500 -1.278 17690
3697 1 20 . 1 1 20 20 ASP H H 20 8.694 8.694 9.000 -0.306 17690
3698 1 20 . 1 1 21 21 LEU N N 21 129.031 129.031 123.488 5.543 17690
3699 1 20 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.342 -0.073 17690
3700 1 20 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.310 -0.546 17690
3701 1 20 . 1 1 21 21 LEU CB C 21 45.139 45.139 45.008 0.131 17690
3702 1 20 . 1 1 21 21 LEU H H 21 9.421 9.421 8.592 0.829 17690
3703 1 20 . 1 1 22 22 ARG N N 22 124.860 124.860 123.729 1.131 17690
3704 1 20 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.755 0.630 17690
3705 1 20 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.900 -0.497 17690
3706 1 20 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.374 -0.534 17690
3707 1 20 . 1 1 22 22 ARG H H 22 8.862 8.862 9.200 -0.338 17690
3708 1 20 . 1 1 23 23 LEU N N 23 122.825 122.825 123.417 -0.592 17690
3709 1 20 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.269 0.000 17690
3710 1 20 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.779 -1.613 17690
3711 1 20 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.288 0.166 17690
3712 1 20 . 1 1 23 23 LEU H H 23 8.149 8.149 8.522 -0.373 17690
3713 1 20 . 1 1 24 24 SER N N 24 118.505 118.505 118.323 0.182 17690
3714 1 20 . 1 1 24 24 SER HA H 24 4.189 4.189 4.506 -0.317 17690
3715 1 20 . 1 1 24 24 SER CA C 24 57.331 57.331 57.801 -0.470 17690
3716 1 20 . 1 1 24 24 SER CB C 24 64.678 64.678 65.121 -0.443 17690
3717 1 20 . 1 1 24 24 SER H H 24 8.428 8.428 8.517 -0.089 17690
3718 1 20 . 1 1 25 25 HIS N N 25 120.283 120.283 122.553 -2.270 17690
3719 1 20 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.293 0.200 17690
3720 1 20 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.145 -0.152 17690
3721 1 20 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.743 0.063 17690
3722 1 20 . 1 1 25 25 HIS H H 25 8.280 8.280 8.875 -0.595 17690
3723 1 20 . 1 1 26 26 GLU N N 26 120.235 120.235 119.243 0.992 17690
3724 1 20 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.155 0.151 17690
3725 1 20 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.830 -0.009 17690
3726 1 20 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.270 -0.475 17690
3727 1 20 . 1 1 26 26 GLU H H 26 8.605 8.605 8.908 -0.303 17690
3728 1 20 . 1 1 27 27 ALA N N 27 123.290 123.290 122.542 0.748 17690
3729 1 20 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.117 -0.087 17690
3730 1 20 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.864 0.550 17690
3731 1 20 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.166 0.512 17690
3732 1 20 . 1 1 27 27 ALA H H 27 7.939 7.939 7.791 0.148 17690
3733 1 20 . 1 1 28 28 LEU N N 28 116.982 116.982 118.335 -1.353 17690
3734 1 20 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.982 -0.008 17690
3735 1 20 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.697 0.379 17690
3736 1 20 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.620 -0.208 17690
3737 1 20 . 1 1 28 28 LEU H H 28 8.051 8.051 7.493 0.558 17690
3738 1 20 . 1 1 29 29 ARG N N 29 119.663 119.663 119.346 0.317 17690
3739 1 20 . 1 1 29 29 ARG HA H 29 3.968 3.968 4.058 -0.090 17690
3740 1 20 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.821 0.118 17690
3741 1 20 . 1 1 29 29 ARG CB C 29 30.231 30.231 30.001 0.230 17690
3742 1 20 . 1 1 29 29 ARG H H 29 8.185 8.185 7.671 0.514 17690
3743 1 20 . 1 1 30 30 GLN N N 30 116.955 116.955 118.603 -1.648 17690
3744 1 20 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.172 -0.133 17690
3745 1 20 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.375 0.500 17690
3746 1 20 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.476 -0.427 17690
3747 1 20 . 1 1 30 30 GLN H H 30 8.097 8.097 8.085 0.012 17690
3748 1 20 . 1 1 31 31 ILE N N 31 121.761 121.761 121.051 0.710 17690
3749 1 20 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.665 0.010 17690
3750 1 20 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.343 -0.139 17690
3751 1 20 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.946 -0.904 17690
3752 1 20 . 1 1 31 31 ILE H H 31 8.386 8.386 7.742 0.644 17690
3753 1 20 . 1 1 32 32 TYR N N 32 120.917 120.917 120.367 0.550 17690
3754 1 20 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.136 -0.008 17690
3755 1 20 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.090 -1.119 17690
3756 1 20 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.580 -0.363 17690
3757 1 20 . 1 1 32 32 TYR H H 32 8.330 8.330 8.119 0.211 17690
3758 1 20 . 1 1 33 33 LEU N N 33 117.824 117.824 118.753 -0.929 17690
3759 1 20 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.747 0.106 17690
3760 1 20 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.904 -0.307 17690
3761 1 20 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.729 0.002 17690
3762 1 20 . 1 1 33 33 LEU H H 33 8.446 8.446 7.800 0.646 17690
3763 1 20 . 1 1 34 34 SER N N 34 114.939 114.939 114.524 0.415 17690
3764 1 20 . 1 1 34 34 SER HA H 34 4.297 4.297 4.131 0.166 17690
3765 1 20 . 1 1 34 34 SER CA C 34 61.643 61.643 61.973 -0.330 17690
3766 1 20 . 1 1 34 34 SER CB C 34 63.560 63.560 62.933 0.627 17690
3767 1 20 . 1 1 34 34 SER H H 34 8.002 8.002 8.519 -0.517 17690
3768 1 20 . 1 1 35 35 GLY N N 35 110.407 110.407 108.983 1.424 17690
3769 1 20 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.503 0.180 17690
3770 1 20 . 1 1 35 35 GLY H H 35 8.354 8.354 7.708 0.646 17690
3771 1 20 . 1 1 36 36 LEU N N 36 121.693 121.693 123.229 -1.536 17690
3772 1 20 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.936 0.077 17690
3773 1 20 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.102 0.016 17690
3774 1 20 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.633 0.152 17690
3775 1 20 . 1 1 36 36 LEU H H 36 8.198 8.198 7.630 0.568 17690
3776 1 20 . 1 1 37 37 HIS N N 37 115.842 115.842 117.256 -1.414 17690
3777 1 20 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.513 0.051 17690
3778 1 20 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.116 -2.777 17690
3779 1 20 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.265 -0.365 17690
3780 1 20 . 1 1 37 37 HIS H H 37 7.912 7.912 8.212 -0.300 17690
3781 1 20 . 1 1 38 38 SER N N 38 114.737 114.737 114.565 0.172 17690
3782 1 20 . 1 1 38 38 SER HA H 38 4.342 4.342 4.328 0.014 17690
3783 1 20 . 1 1 38 38 SER CA C 38 59.833 59.833 59.749 0.084 17690
3784 1 20 . 1 1 38 38 SER CB C 38 62.868 62.868 62.344 0.524 17690
3785 1 20 . 1 1 38 38 SER H H 38 7.871 7.871 7.538 0.333 17690
3786 1 20 . 1 1 39 39 TRP N N 39 122.888 122.888 122.113 0.775 17690
3787 1 20 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.483 0.009 17690
3788 1 20 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.393 -0.477 17690
3789 1 20 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.446 -1.226 17690
3790 1 20 . 1 1 39 39 TRP H H 39 7.968 7.968 7.353 0.615 17690
3791 1 20 . 1 1 40 40 LYS N N 40 120.822 120.822 118.582 2.240 17690
3792 1 20 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.462 -0.192 17690
3793 1 20 . 1 1 40 40 LYS CA C 40 56.213 56.213 55.490 0.723 17690
3794 1 20 . 1 1 40 40 LYS CB C 40 32.570 32.570 33.631 -1.061 17690
3795 1 20 . 1 1 40 40 LYS H H 40 7.775 7.775 7.542 0.233 17690
3796 1 20 . 1 1 41 41 LYS N N 41 123.403 123.403 122.072 1.331 17690
3797 1 20 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.277 -0.078 17690
3798 1 20 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.166 0.739 17690
3799 1 20 . 1 1 41 41 LYS CB C 41 32.197 32.197 32.967 -0.770 17690
3800 1 20 . 1 1 41 41 LYS H H 41 8.087 8.087 8.343 -0.256 17690
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 39 2.202 -0.252 2.216 17690
2 1 1 "Average Difference" HA 40 0.296 -0.010 0.300 17690
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17690
4 1 1 "Average Difference" CA 39 1.348 0.444 1.289 17690
5 1 1 "Average Difference" CB 37 0.909 0.361 0.846 17690
6 1 1 "Average Difference" HN 39 0.435 -0.065 0.436 17690
7 1 2 "Average Difference" N 39 2.212 -0.471 2.190 17690
8 1 2 "Average Difference" HA 40 0.288 -0.022 0.291 17690
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17690
10 1 2 "Average Difference" CA 39 0.846 0.141 0.845 17690
11 1 2 "Average Difference" CB 37 1.086 0.239 1.074 17690
12 1 2 "Average Difference" HN 39 0.393 -0.044 0.396 17690
13 1 3 "Average Difference" N 39 2.116 0.280 2.125 17690
14 1 3 "Average Difference" HA 40 0.275 0.011 0.278 17690
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17690
16 1 3 "Average Difference" CA 39 0.918 0.276 0.886 17690
17 1 3 "Average Difference" CB 37 0.789 0.295 0.742 17690
18 1 3 "Average Difference" HN 39 0.418 -0.048 0.420 17690
19 1 4 "Average Difference" N 39 2.331 -0.162 2.356 17690
20 1 4 "Average Difference" HA 40 0.280 -0.008 0.283 17690
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17690
22 1 4 "Average Difference" CA 39 1.293 0.456 1.225 17690
23 1 4 "Average Difference" CB 37 0.805 0.202 0.790 17690
24 1 4 "Average Difference" HN 39 0.441 -0.084 0.439 17690
25 1 5 "Average Difference" N 39 2.603 -0.725 2.533 17690
26 1 5 "Average Difference" HA 40 0.295 -0.009 0.298 17690
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17690
28 1 5 "Average Difference" CA 39 1.375 0.435 1.321 17690
29 1 5 "Average Difference" CB 37 0.989 0.085 0.998 17690
30 1 5 "Average Difference" HN 39 0.431 -0.054 0.433 17690
31 1 6 "Average Difference" N 39 2.103 0.032 2.130 17690
32 1 6 "Average Difference" HA 40 0.275 0.010 0.278 17690
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17690
34 1 6 "Average Difference" CA 39 0.860 0.169 0.855 17690
35 1 6 "Average Difference" CB 37 0.970 0.331 0.924 17690
36 1 6 "Average Difference" HN 39 0.427 -0.065 0.427 17690
37 1 7 "Average Difference" N 39 1.879 -0.068 1.903 17690
38 1 7 "Average Difference" HA 40 0.286 0.045 0.286 17690
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17690
40 1 7 "Average Difference" CA 39 0.894 0.036 0.905 17690
41 1 7 "Average Difference" CB 37 0.955 0.327 0.910 17690
42 1 7 "Average Difference" HN 39 0.383 0.006 0.388 17690
43 1 8 "Average Difference" N 39 2.082 -0.124 2.106 17690
44 1 8 "Average Difference" HA 40 0.289 -0.005 0.293 17690
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17690
46 1 8 "Average Difference" CA 39 0.896 0.127 0.898 17690
47 1 8 "Average Difference" CB 37 0.998 0.332 0.955 17690
48 1 8 "Average Difference" HN 39 0.445 -0.074 0.444 17690
49 1 9 "Average Difference" N 39 1.817 -0.215 1.828 17690
50 1 9 "Average Difference" HA 40 0.275 -0.042 0.275 17690
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17690
52 1 9 "Average Difference" CA 39 1.057 0.222 1.047 17690
53 1 9 "Average Difference" CB 37 0.862 0.232 0.842 17690
54 1 9 "Average Difference" HN 39 0.412 -0.021 0.417 17690
55 1 10 "Average Difference" N 39 2.439 -0.550 2.407 17690
56 1 10 "Average Difference" HA 40 0.284 0.007 0.288 17690
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17690
58 1 10 "Average Difference" CA 39 1.056 0.173 1.056 17690
59 1 10 "Average Difference" CB 37 0.856 0.275 0.822 17690
60 1 10 "Average Difference" HN 39 0.400 -0.064 0.400 17690
61 1 11 "Average Difference" N 39 2.037 -0.287 2.043 17690
62 1 11 "Average Difference" HA 40 0.292 -0.020 0.295 17690
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17690
64 1 11 "Average Difference" CA 39 0.887 0.220 0.870 17690
65 1 11 "Average Difference" CB 37 1.002 0.135 1.006 17690
66 1 11 "Average Difference" HN 39 0.423 -0.052 0.425 17690
67 1 12 "Average Difference" N 39 2.022 -0.056 2.047 17690
68 1 12 "Average Difference" HA 40 0.287 0.010 0.290 17690
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17690
70 1 12 "Average Difference" CA 39 0.909 0.097 0.916 17690
71 1 12 "Average Difference" CB 37 0.759 0.241 0.729 17690
72 1 12 "Average Difference" HN 39 0.380 -0.026 0.384 17690
73 1 13 "Average Difference" N 39 1.857 0.130 1.877 17690
74 1 13 "Average Difference" HA 40 0.300 0.005 0.303 17690
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17690
76 1 13 "Average Difference" CA 39 0.871 0.134 0.872 17690
77 1 13 "Average Difference" CB 37 0.974 0.354 0.920 17690
78 1 13 "Average Difference" HN 39 0.421 -0.025 0.425 17690
79 1 14 "Average Difference" N 39 2.019 -0.369 2.011 17690
80 1 14 "Average Difference" HA 40 0.275 -0.014 0.278 17690
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17690
82 1 14 "Average Difference" CA 39 1.108 0.296 1.082 17690
83 1 14 "Average Difference" CB 37 0.736 0.070 0.743 17690
84 1 14 "Average Difference" HN 39 0.438 -0.083 0.436 17690
85 1 15 "Average Difference" N 39 2.656 -0.389 2.662 17690
86 1 15 "Average Difference" HA 40 0.283 0.037 0.284 17690
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17690
88 1 15 "Average Difference" CA 39 0.941 0.204 0.931 17690
89 1 15 "Average Difference" CB 37 0.749 0.348 0.673 17690
90 1 15 "Average Difference" HN 39 0.481 -0.043 0.485 17690
91 1 16 "Average Difference" N 39 2.311 -0.351 2.314 17690
92 1 16 "Average Difference" HA 40 0.282 0.024 0.284 17690
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17690
94 1 16 "Average Difference" CA 39 0.916 0.161 0.913 17690
95 1 16 "Average Difference" CB 37 0.841 0.281 0.804 17690
96 1 16 "Average Difference" HN 39 0.448 -0.028 0.453 17690
97 1 17 "Average Difference" N 39 2.027 -0.264 2.036 17690
98 1 17 "Average Difference" HA 40 0.308 -0.015 0.312 17690
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17690
100 1 17 "Average Difference" CA 39 0.882 0.127 0.885 17690
101 1 17 "Average Difference" CB 37 0.857 0.285 0.819 17690
102 1 17 "Average Difference" HN 39 0.410 -0.076 0.408 17690
103 1 18 "Average Difference" N 39 1.944 -0.057 1.968 17690
104 1 18 "Average Difference" HA 40 0.297 0.011 0.301 17690
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17690
106 1 18 "Average Difference" CA 39 0.843 0.167 0.837 17690
107 1 18 "Average Difference" CB 37 1.007 0.217 0.997 17690
108 1 18 "Average Difference" HN 39 0.412 -0.004 0.417 17690
109 1 19 "Average Difference" N 39 1.938 -0.075 1.962 17690
110 1 19 "Average Difference" HA 40 0.288 0.014 0.291 17690
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17690
112 1 19 "Average Difference" CA 39 0.726 0.137 0.722 17690
113 1 19 "Average Difference" CB 37 0.912 0.213 0.899 17690
114 1 19 "Average Difference" HN 39 0.414 -0.051 0.416 17690
115 1 20 "Average Difference" N 39 2.216 -0.312 2.223 17690
116 1 20 "Average Difference" HA 40 0.291 0.048 0.290 17690
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17690
118 1 20 "Average Difference" CA 39 0.903 0.017 0.915 17690
119 1 20 "Average Difference" CB 37 0.897 0.365 0.831 17690
120 1 20 "Average Difference" HN 39 0.413 -0.060 0.414 17690
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 17690
_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 ALA N N 2 127.360 127.360 124.621 2.739 17690
2 1 . 1 1 2 2 ALA HA H 2 4.329 4.329 4.383 -0.055 17690
3 1 . 1 1 2 2 ALA CA C 2 52.379 52.379 52.467 -0.088 17690
4 1 . 1 1 2 2 ALA CB C 2 19.051 19.051 19.441 -0.390 17690
5 1 . 1 1 2 2 ALA H H 2 8.637 8.637 8.182 0.455 17690
6 1 . 1 1 3 3 GLU N N 3 121.660 121.660 120.378 1.282 17690
7 1 . 1 1 3 3 GLU HA H 3 4.217 4.217 4.221 -0.004 17690
8 1 . 1 1 3 3 GLU CA C 3 56.479 56.479 56.834 -0.355 17690
9 1 . 1 1 3 3 GLU CB C 3 30.019 30.019 30.139 -0.120 17690
10 1 . 1 1 3 3 GLU H H 3 8.421 8.421 8.533 -0.112 17690
11 1 . 1 1 4 4 ALA N N 4 125.777 125.777 124.750 1.027 17690
12 1 . 1 1 4 4 ALA HA H 4 4.262 4.262 4.208 0.054 17690
13 1 . 1 1 4 4 ALA CA C 4 52.220 52.220 53.026 -0.806 17690
14 1 . 1 1 4 4 ALA CB C 4 19.104 19.104 19.235 -0.131 17690
15 1 . 1 1 4 4 ALA H H 4 8.306 8.306 8.178 0.129 17690
16 1 . 1 1 5 5 HIS N N 5 118.168 118.168 118.536 -0.368 17690
17 1 . 1 1 5 5 HIS HA H 5 4.706 4.706 4.619 0.087 17690
18 1 . 1 1 5 5 HIS CA C 5 54.669 54.669 56.822 -2.153 17690
19 1 . 1 1 5 5 HIS CB C 5 28.847 28.847 30.751 -1.904 17690
20 1 . 1 1 5 5 HIS H H 5 8.431 8.431 8.245 0.186 17690
21 1 . 1 1 6 6 GLN N N 6 122.323 122.323 121.147 1.176 17690
22 1 . 1 1 6 6 GLN HA H 6 4.339 4.339 4.371 -0.032 17690
23 1 . 1 1 6 6 GLN CA C 6 55.734 55.734 55.968 -0.234 17690
24 1 . 1 1 6 6 GLN CB C 6 29.593 29.593 29.379 0.214 17690
25 1 . 1 1 6 6 GLN H H 6 8.337 8.337 8.328 0.009 17690
26 1 . 1 1 7 7 ALA N N 7 126.205 126.205 125.054 1.151 17690
27 1 . 1 1 7 7 ALA HA H 7 4.349 4.349 4.453 -0.104 17690
28 1 . 1 1 7 7 ALA CA C 7 52.060 52.060 52.370 -0.310 17690
29 1 . 1 1 7 7 ALA CB C 7 19.264 19.264 20.089 -0.825 17690
30 1 . 1 1 7 7 ALA H H 7 8.374 8.374 8.216 0.158 17690
31 1 . 1 1 8 8 VAL N N 8 121.228 121.228 119.473 1.754 17690
32 1 . 1 1 8 8 VAL HA H 8 3.965 3.965 4.359 -0.394 17690
33 1 . 1 1 8 8 VAL CA C 8 62.176 62.176 61.670 0.505 17690
34 1 . 1 1 8 8 VAL CB C 8 32.308 32.308 34.042 -1.733 17690
35 1 . 1 1 8 8 VAL H H 8 8.200 8.200 8.192 0.008 17690
36 1 . 1 1 9 9 ALA N N 9 128.767 128.767 128.769 -0.002 17690
37 1 . 1 1 9 9 ALA HA H 9 4.412 4.412 4.377 0.035 17690
38 1 . 1 1 9 9 ALA CA C 9 53.338 53.338 53.313 0.025 17690
39 1 . 1 1 9 9 ALA CB C 9 20.225 20.225 19.635 0.590 17690
40 1 . 1 1 9 9 ALA H H 9 8.324 8.324 8.609 -0.285 17690
41 1 . 1 1 10 10 PHE N N 10 115.148 115.148 115.107 0.041 17690
42 1 . 1 1 10 10 PHE HA H 10 5.385 5.385 5.730 -0.344 17690
43 1 . 1 1 10 10 PHE CA C 10 55.893 55.893 54.129 1.764 17690
44 1 . 1 1 10 10 PHE CB C 10 41.944 41.944 40.933 1.011 17690
45 1 . 1 1 10 10 PHE H H 10 7.578 7.578 7.796 -0.218 17690
46 1 . 1 1 11 11 GLN N N 11 123.516 123.516 122.813 0.703 17690
47 1 . 1 1 11 11 GLN HA H 11 4.454 4.454 4.648 -0.194 17690
48 1 . 1 1 11 11 GLN CA C 11 55.308 55.308 54.382 0.926 17690
49 1 . 1 1 11 11 GLN CB C 11 31.771 31.771 33.124 -1.353 17690
50 1 . 1 1 11 11 GLN H H 11 8.653 8.653 9.153 -0.500 17690
51 1 . 1 1 12 12 PHE N N 12 126.845 126.845 126.609 0.236 17690
52 1 . 1 1 12 12 PHE HA H 12 5.581 5.581 5.662 -0.081 17690
53 1 . 1 1 12 12 PHE CA C 12 56.319 56.319 55.316 1.003 17690
54 1 . 1 1 12 12 PHE CB C 12 42.317 42.317 41.293 1.024 17690
55 1 . 1 1 12 12 PHE H H 12 8.769 8.769 8.675 0.095 17690
56 1 . 1 1 13 13 THR N N 13 122.078 122.078 123.379 -1.301 17690
57 1 . 1 1 13 13 THR HA H 13 4.492 4.492 4.390 0.102 17690
58 1 . 1 1 13 13 THR CA C 13 61.111 61.111 60.984 0.127 17690
59 1 . 1 1 13 13 THR CB C 13 71.757 71.757 71.678 0.079 17690
60 1 . 1 1 13 13 THR H H 13 8.724 8.724 9.247 -0.523 17690
61 1 . 1 1 14 14 VAL N N 14 125.702 125.702 127.209 -1.507 17690
62 1 . 1 1 14 14 VAL HA H 14 4.492 4.492 4.538 -0.046 17690
63 1 . 1 1 14 14 VAL CA C 14 60.898 60.898 61.320 -0.422 17690
64 1 . 1 1 14 14 VAL CB C 14 32.521 32.521 32.820 -0.299 17690
65 1 . 1 1 14 14 VAL H H 14 8.573 8.573 8.452 0.121 17690
66 1 . 1 1 15 15 THR N N 15 121.390 121.390 122.205 -0.815 17690
67 1 . 1 1 15 15 THR CA C 15 58.895 58.895 58.627 0.268 17690
68 1 . 1 1 15 15 THR CB C 15 68.453 68.453 70.034 -1.581 17690
69 1 . 1 1 15 15 THR H H 15 8.888 8.888 8.880 0.008 17690
70 1 . 1 1 17 17 ASP N N 17 111.883 111.883 116.589 -4.706 17690
71 1 . 1 1 17 17 ASP HA H 17 4.778 4.778 4.585 0.193 17690
72 1 . 1 1 17 17 ASP CA C 17 54.190 54.190 54.502 -0.312 17690
73 1 . 1 1 17 17 ASP CB C 17 41.727 41.727 41.323 0.404 17690
74 1 . 1 1 17 17 ASP H H 17 7.742 7.742 8.255 -0.513 17690
75 1 . 1 1 18 18 GLY N N 18 110.771 110.771 107.151 3.620 17690
76 1 . 1 1 18 18 GLY CA C 18 45.724 45.724 45.064 0.660 17690
77 1 . 1 1 18 18 GLY H H 18 7.461 7.461 7.892 -0.431 17690
78 1 . 1 1 19 19 ILE N N 19 115.499 115.499 116.669 -1.170 17690
79 1 . 1 1 19 19 ILE HA H 19 5.188 5.188 5.312 -0.124 17690
80 1 . 1 1 19 19 ILE CA C 19 57.857 57.857 59.237 -1.380 17690
81 1 . 1 1 19 19 ILE CB C 19 42.211 42.211 42.178 0.033 17690
82 1 . 1 1 19 19 ILE H H 19 8.631 8.631 8.229 0.402 17690
83 1 . 1 1 20 20 ASP N N 20 123.215 123.215 123.827 -0.611 17690
84 1 . 1 1 20 20 ASP HA H 20 5.447 5.447 5.111 0.336 17690
85 1 . 1 1 20 20 ASP CA C 20 53.072 53.072 53.030 0.042 17690
86 1 . 1 1 20 20 ASP CB C 20 43.222 43.222 44.515 -1.293 17690
87 1 . 1 1 20 20 ASP H H 20 8.694 8.694 9.040 -0.346 17690
88 1 . 1 1 21 21 LEU N N 21 129.031 129.031 122.741 6.290 17690
89 1 . 1 1 21 21 LEU HA H 21 5.269 5.269 5.356 -0.087 17690
90 1 . 1 1 21 21 LEU CA C 21 53.764 53.764 54.127 -0.363 17690
91 1 . 1 1 21 21 LEU CB C 21 45.139 45.139 44.680 0.459 17690
92 1 . 1 1 21 21 LEU H H 21 9.421 9.421 8.605 0.816 17690
93 1 . 1 1 22 22 ARG N N 22 124.860 124.860 124.430 0.430 17690
94 1 . 1 1 22 22 ARG HA H 22 5.385 5.385 4.809 0.576 17690
95 1 . 1 1 22 22 ARG CA C 22 54.403 54.403 54.908 -0.505 17690
96 1 . 1 1 22 22 ARG CB C 22 32.840 32.840 33.251 -0.411 17690
97 1 . 1 1 22 22 ARG H H 22 8.862 8.862 9.166 -0.304 17690
98 1 . 1 1 23 23 LEU N N 23 122.825 122.825 123.754 -0.929 17690
99 1 . 1 1 23 23 LEU HA H 23 5.269 5.269 5.276 -0.007 17690
100 1 . 1 1 23 23 LEU CA C 23 52.166 52.166 53.669 -1.503 17690
101 1 . 1 1 23 23 LEU CB C 23 45.454 45.454 45.214 0.240 17690
102 1 . 1 1 23 23 LEU H H 23 8.149 8.149 8.535 -0.386 17690
103 1 . 1 1 24 24 SER N N 24 118.505 118.505 117.782 0.723 17690
104 1 . 1 1 24 24 SER HA H 24 4.189 4.189 4.548 -0.359 17690
105 1 . 1 1 24 24 SER CA C 24 57.331 57.331 57.622 -0.291 17690
106 1 . 1 1 24 24 SER CB C 24 64.678 64.678 65.022 -0.344 17690
107 1 . 1 1 24 24 SER H H 24 8.428 8.428 8.399 0.029 17690
108 1 . 1 1 25 25 HIS N N 25 120.283 120.283 122.639 -2.357 17690
109 1 . 1 1 25 25 HIS HA H 25 4.493 4.493 4.266 0.227 17690
110 1 . 1 1 25 25 HIS CA C 25 59.993 59.993 60.059 -0.066 17690
111 1 . 1 1 25 25 HIS CB C 25 29.806 29.806 29.810 -0.004 17690
112 1 . 1 1 25 25 HIS H H 25 8.280 8.280 8.896 -0.616 17690
113 1 . 1 1 26 26 GLU N N 26 120.235 120.235 119.299 0.936 17690
114 1 . 1 1 26 26 GLU HA H 26 4.306 4.306 4.118 0.188 17690
115 1 . 1 1 26 26 GLU CA C 26 58.821 58.821 58.866 -0.045 17690
116 1 . 1 1 26 26 GLU CB C 26 28.794 28.794 29.243 -0.449 17690
117 1 . 1 1 26 26 GLU H H 26 8.605 8.605 8.629 -0.024 17690
118 1 . 1 1 27 27 ALA N N 27 123.290 123.290 122.308 0.983 17690
119 1 . 1 1 27 27 ALA HA H 27 4.030 4.030 4.075 -0.045 17690
120 1 . 1 1 27 27 ALA CA C 27 55.414 55.414 54.896 0.518 17690
121 1 . 1 1 27 27 ALA CB C 27 18.678 18.678 18.295 0.383 17690
122 1 . 1 1 27 27 ALA H H 27 7.939 7.939 7.735 0.204 17690
123 1 . 1 1 28 28 LEU N N 28 116.982 116.982 118.798 -1.816 17690
124 1 . 1 1 28 28 LEU HA H 28 3.974 3.974 3.980 -0.006 17690
125 1 . 1 1 28 28 LEU CA C 28 58.076 58.076 57.703 0.373 17690
126 1 . 1 1 28 28 LEU CB C 28 41.412 41.412 41.547 -0.135 17690
127 1 . 1 1 28 28 LEU H H 28 8.051 8.051 7.540 0.511 17690
128 1 . 1 1 29 29 ARG N N 29 119.663 119.663 119.518 0.145 17690
129 1 . 1 1 29 29 ARG HA H 29 3.968 3.968 3.990 -0.022 17690
130 1 . 1 1 29 29 ARG CA C 29 59.939 59.939 59.883 0.056 17690
131 1 . 1 1 29 29 ARG CB C 29 30.231 30.231 29.998 0.233 17690
132 1 . 1 1 29 29 ARG H H 29 8.185 8.185 7.688 0.497 17690
133 1 . 1 1 30 30 GLN N N 30 116.955 116.955 118.600 -1.645 17690
134 1 . 1 1 30 30 GLN HA H 30 4.039 4.039 4.125 -0.086 17690
135 1 . 1 1 30 30 GLN CA C 30 58.875 58.875 58.838 0.037 17690
136 1 . 1 1 30 30 GLN CB C 30 28.049 28.049 28.696 -0.647 17690
137 1 . 1 1 30 30 GLN H H 30 8.097 8.097 7.781 0.316 17690
138 1 . 1 1 31 31 ILE N N 31 121.761 121.761 121.127 0.634 17690
139 1 . 1 1 31 31 ILE HA H 31 3.675 3.675 3.723 -0.048 17690
140 1 . 1 1 31 31 ILE CA C 31 65.204 65.204 65.180 0.024 17690
141 1 . 1 1 31 31 ILE CB C 31 37.042 37.042 37.935 -0.893 17690
142 1 . 1 1 31 31 ILE H H 31 8.386 8.386 7.754 0.632 17690
143 1 . 1 1 32 32 TYR N N 32 120.917 120.917 120.562 0.355 17690
144 1 . 1 1 32 32 TYR HA H 32 4.128 4.128 4.120 0.008 17690
145 1 . 1 1 32 32 TYR CA C 32 60.971 60.971 62.324 -1.353 17690
146 1 . 1 1 32 32 TYR CB C 32 38.217 38.217 38.577 -0.360 17690
147 1 . 1 1 32 32 TYR H H 32 8.330 8.330 8.215 0.115 17690
148 1 . 1 1 33 33 LEU N N 33 117.824 117.824 118.736 -0.912 17690
149 1 . 1 1 33 33 LEU HA H 33 3.853 3.853 3.695 0.158 17690
150 1 . 1 1 33 33 LEU CA C 33 57.597 57.597 57.978 -0.381 17690
151 1 . 1 1 33 33 LEU CB C 33 41.731 41.731 41.690 0.041 17690
152 1 . 1 1 33 33 LEU H H 33 8.446 8.446 7.832 0.614 17690
153 1 . 1 1 34 34 SER N N 34 114.939 114.939 114.667 0.272 17690
154 1 . 1 1 34 34 SER HA H 34 4.297 4.297 4.170 0.127 17690
155 1 . 1 1 34 34 SER CA C 34 61.643 61.643 61.790 -0.147 17690
156 1 . 1 1 34 34 SER CB C 34 63.560 63.560 62.765 0.795 17690
157 1 . 1 1 34 34 SER H H 34 8.002 8.002 8.536 -0.534 17690
158 1 . 1 1 35 35 GLY N N 35 110.407 110.407 109.822 0.585 17690
159 1 . 1 1 35 35 GLY CA C 35 46.683 46.683 46.591 0.092 17690
160 1 . 1 1 35 35 GLY H H 35 8.354 8.354 7.862 0.492 17690
161 1 . 1 1 36 36 LEU N N 36 121.693 121.693 122.580 -0.887 17690
162 1 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.909 0.104 17690
163 1 . 1 1 36 36 LEU CA C 36 57.118 57.118 57.295 -0.177 17690
164 1 . 1 1 36 36 LEU CB C 36 41.785 41.785 41.577 0.208 17690
165 1 . 1 1 36 36 LEU H H 36 8.198 8.198 7.746 0.452 17690
166 1 . 1 1 37 37 HIS N N 37 115.842 115.842 116.850 -1.008 17690
167 1 . 1 1 37 37 HIS HA H 37 4.564 4.564 4.469 0.095 17690
168 1 . 1 1 37 37 HIS CA C 37 56.339 56.339 59.031 -2.692 17690
169 1 . 1 1 37 37 HIS CB C 37 28.900 28.900 29.570 -0.670 17690
170 1 . 1 1 37 37 HIS H H 37 7.912 7.912 8.119 -0.207 17690
171 1 . 1 1 38 38 SER N N 38 114.737 114.737 114.891 -0.154 17690
172 1 . 1 1 38 38 SER HA H 38 4.342 4.342 4.264 0.078 17690
173 1 . 1 1 38 38 SER CA C 38 59.833 59.833 60.814 -0.981 17690
174 1 . 1 1 38 38 SER CB C 38 62.868 62.868 62.682 0.186 17690
175 1 . 1 1 38 38 SER H H 38 7.871 7.871 7.703 0.168 17690
176 1 . 1 1 39 39 TRP N N 39 122.888 122.888 121.490 1.398 17690
177 1 . 1 1 39 39 TRP HA H 39 4.492 4.492 4.450 0.042 17690
178 1 . 1 1 39 39 TRP CA C 39 57.916 57.916 58.240 -0.324 17690
179 1 . 1 1 39 39 TRP CB C 39 29.220 29.220 30.136 -0.915 17690
180 1 . 1 1 39 39 TRP H H 39 7.968 7.968 7.509 0.459 17690
181 1 . 1 1 40 40 LYS N N 40 120.822 120.822 119.229 1.593 17690
182 1 . 1 1 40 40 LYS HA H 40 4.270 4.270 4.169 0.101 17690
183 1 . 1 1 40 40 LYS CA C 40 56.213 56.213 56.150 0.063 17690
184 1 . 1 1 40 40 LYS CB C 40 32.570 32.570 32.763 -0.193 17690
185 1 . 1 1 40 40 LYS H H 40 7.775 7.775 7.557 0.218 17690
186 1 . 1 1 41 41 LYS N N 41 123.403 123.403 122.934 0.469 17690
187 1 . 1 1 41 41 LYS HA H 41 4.199 4.199 4.298 -0.100 17690
188 1 . 1 1 41 41 LYS CA C 41 56.905 56.905 56.378 0.527 17690
189 1 . 1 1 41 41 LYS CB C 41 32.197 32.197 33.045 -0.848 17690
190 1 . 1 1 41 41 LYS H H 41 8.087 8.087 8.316 -0.229 17690
stop_
save_