data_18269
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18269
_Entry.PDB_ID 2LPN
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 18269
_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 GLU N N 2 121.590 121.590 117.314 4.276 18269
2 1 1 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.060 0.234 18269
3 1 1 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.897 -1.380 18269
4 1 1 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.785 0.366 18269
5 1 1 . 1 1 2 2 GLU H H 2 8.621 8.621 8.616 0.005 18269
6 1 1 . 1 1 3 3 ALA N N 3 125.815 125.815 119.985 5.830 18269
7 1 1 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.514 -0.148 18269
8 1 1 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.709 0.948 18269
9 1 1 . 1 1 3 3 ALA CB C 3 18.947 18.947 21.214 -2.267 18269
10 1 1 . 1 1 3 3 ALA H H 3 8.598 8.598 8.147 0.451 18269
11 1 1 . 1 1 4 4 GLY N N 4 108.386 108.386 108.230 0.156 18269
12 1 1 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.112 -0.975 18269
13 1 1 . 1 1 4 4 GLY H H 4 8.487 8.487 8.680 -0.193 18269
14 1 1 . 1 1 5 5 GLY N N 5 108.367 108.367 114.940 -6.573 18269
15 1 1 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.578 0.176 18269
16 1 1 . 1 1 5 5 GLY H H 5 8.274 8.274 8.201 0.073 18269
17 1 1 . 1 1 6 6 ARG N N 6 121.577 121.577 118.735 2.842 18269
18 1 1 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.053 0.622 18269
19 1 1 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.867 -1.986 18269
20 1 1 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.992 2.143 18269
21 1 1 . 1 1 6 6 ARG H H 6 8.297 8.297 8.105 0.192 18269
22 1 1 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.707 -0.216 18269
23 1 1 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.055 1.298 18269
24 1 1 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.810 1.237 18269
25 1 1 . 1 1 8 8 GLY N N 8 109.658 109.658 108.165 1.493 18269
26 1 1 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.417 -1.329 18269
27 1 1 . 1 1 8 8 GLY H H 8 8.660 8.660 7.979 0.681 18269
28 1 1 . 1 1 9 9 ALA N N 9 123.995 123.995 119.214 4.781 18269
29 1 1 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.324 0.116 18269
30 1 1 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.686 -0.889 18269
31 1 1 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.775 0.504 18269
32 1 1 . 1 1 9 9 ALA H H 9 8.200 8.200 8.006 0.194 18269
33 1 1 . 1 1 10 10 ASP N N 10 119.834 119.834 118.184 1.650 18269
34 1 1 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.701 -0.044 18269
35 1 1 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.103 -0.563 18269
36 1 1 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.990 -0.484 18269
37 1 1 . 1 1 10 10 ASP H H 10 8.290 8.290 8.249 0.041 18269
38 1 1 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.308 0.322 18269
39 1 1 . 1 1 11 11 CYS CA C 11 54.758 54.758 61.360 -6.602 18269
40 1 1 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.496 12.964 18269
41 1 1 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.314 -0.350 18269
42 1 1 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.205 4.172 18269
43 1 1 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.194 1.061 18269
44 1 1 . 1 1 13 13 VAL N N 13 117.224 117.224 121.929 -4.705 18269
45 1 1 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.706 0.040 18269
46 1 1 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.843 -1.796 18269
47 1 1 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.551 -0.333 18269
48 1 1 . 1 1 13 13 VAL H H 13 7.040 7.040 8.324 -1.284 18269
49 1 1 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.149 -0.064 18269
50 1 1 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.743 -1.298 18269
51 1 1 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.877 15.342 18269
52 1 1 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.063 -0.004 18269
53 1 1 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.420 -1.849 18269
54 1 1 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.960 0.290 18269
55 1 1 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.147 0.184 18269
56 1 1 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.126 0.048 18269
57 1 1 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.334 0.072 18269
58 1 1 . 1 1 16 16 GLU H H 16 8.098 8.098 8.676 -0.578 18269
59 1 1 . 1 1 17 17 PHE N N 17 120.745 120.745 122.141 -1.396 18269
60 1 1 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.381 -0.066 18269
61 1 1 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.583 0.931 18269
62 1 1 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.274 1.239 18269
63 1 1 . 1 1 17 17 PHE H H 17 9.126 9.126 8.331 0.795 18269
64 1 1 . 1 1 18 18 LEU N N 18 115.787 115.787 119.457 -3.670 18269
65 1 1 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.592 0.551 18269
66 1 1 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.280 -0.403 18269
67 1 1 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.401 -0.449 18269
68 1 1 . 1 1 18 18 LEU H H 18 8.505 8.505 8.019 0.486 18269
69 1 1 . 1 1 19 19 ASN N N 19 117.635 117.635 116.809 0.826 18269
70 1 1 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.397 0.479 18269
71 1 1 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.838 -0.364 18269
72 1 1 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.859 -0.532 18269
73 1 1 . 1 1 19 19 ASN H H 19 8.405 8.405 8.496 -0.091 18269
74 1 1 . 1 1 20 20 ARG N N 20 122.851 122.851 118.539 4.312 18269
75 1 1 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.037 0.080 18269
76 1 1 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.331 0.958 18269
77 1 1 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.160 0.294 18269
78 1 1 . 1 1 20 20 ARG H H 20 8.325 8.325 8.007 0.318 18269
79 1 1 . 1 1 21 21 PHE N N 21 121.774 121.774 121.259 0.515 18269
80 1 1 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.328 -0.048 18269
81 1 1 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.373 -1.363 18269
82 1 1 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.236 -0.225 18269
83 1 1 . 1 1 21 21 PHE H H 21 8.438 8.438 8.347 0.091 18269
84 1 1 . 1 1 22 22 TYR N N 22 119.937 119.937 120.813 -0.876 18269
85 1 1 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.841 -0.052 18269
86 1 1 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.187 0.465 18269
87 1 1 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.256 0.018 18269
88 1 1 . 1 1 22 22 TYR H H 22 8.708 8.708 8.255 0.453 18269
89 1 1 . 1 1 23 23 LYS N N 23 116.431 116.431 117.323 -0.892 18269
90 1 1 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.794 0.065 18269
91 1 1 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.142 1.001 18269
92 1 1 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.343 0.874 18269
93 1 1 . 1 1 23 23 LYS H H 23 7.928 7.928 8.216 -0.288 18269
94 1 1 . 1 1 24 24 SER N N 24 113.888 113.888 116.600 -2.712 18269
95 1 1 . 1 1 24 24 SER HA H 24 4.325 4.325 4.165 0.160 18269
96 1 1 . 1 1 24 24 SER CA C 24 61.016 61.016 61.562 -0.546 18269
97 1 1 . 1 1 24 24 SER CB C 24 62.837 62.837 62.880 -0.043 18269
98 1 1 . 1 1 24 24 SER H H 24 7.665 7.665 7.598 0.067 18269
99 1 1 . 1 1 25 25 LEU N N 25 119.663 119.663 121.941 -2.278 18269
100 1 1 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.851 -0.172 18269
101 1 1 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.301 -0.796 18269
102 1 1 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.234 0.668 18269
103 1 1 . 1 1 25 25 LEU H H 25 7.573 7.573 7.623 -0.050 18269
104 1 1 . 1 1 26 26 ILE N N 26 119.781 119.781 118.428 1.353 18269
105 1 1 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.554 0.302 18269
106 1 1 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.678 -0.129 18269
107 1 1 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.498 0.806 18269
108 1 1 . 1 1 26 26 ILE H H 26 8.094 8.094 7.502 0.592 18269
109 1 1 . 1 1 27 27 ASP N N 27 122.421 122.421 119.958 2.463 18269
110 1 1 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.413 -0.037 18269
111 1 1 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.505 0.515 18269
112 1 1 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.239 -1.159 18269
113 1 1 . 1 1 27 27 ASP H H 27 9.091 9.091 7.768 1.323 18269
114 1 1 . 1 1 28 28 ARG N N 28 115.349 115.349 117.666 -2.317 18269
115 1 1 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.157 0.148 18269
116 1 1 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.911 -0.413 18269
117 1 1 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.451 1.162 18269
118 1 1 . 1 1 28 28 ARG H H 28 7.587 7.587 8.434 -0.847 18269
119 1 1 . 1 1 29 29 GLY N N 29 109.999 109.999 107.531 2.468 18269
120 1 1 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.359 1.302 18269
121 1 1 . 1 1 29 29 GLY H H 29 7.909 7.909 7.763 0.146 18269
122 1 1 . 1 1 30 30 VAL N N 30 118.740 118.740 118.112 0.628 18269
123 1 1 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.446 -0.687 18269
124 1 1 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.264 2.206 18269
125 1 1 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.628 0.698 18269
126 1 1 . 1 1 30 30 VAL H H 30 7.701 7.701 8.116 -0.414 18269
127 1 1 . 1 1 31 31 ASN N N 31 123.250 123.250 118.297 4.953 18269
128 1 1 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.778 -0.065 18269
129 1 1 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.127 1.361 18269
130 1 1 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.477 -1.266 18269
131 1 1 . 1 1 31 31 ASN H H 31 8.498 8.498 7.406 1.092 18269
132 1 1 . 1 1 32 32 PHE N N 32 126.076 126.076 114.310 11.766 18269
133 1 1 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.170 -0.032 18269
134 1 1 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.586 -0.938 18269
135 1 1 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.067 -1.288 18269
136 1 1 . 1 1 32 32 PHE H H 32 8.783 8.783 8.604 0.179 18269
137 1 1 . 1 1 33 33 SER N N 33 115.958 115.958 115.123 0.835 18269
138 1 1 . 1 1 33 33 SER HA H 33 4.736 4.736 4.809 -0.073 18269
139 1 1 . 1 1 33 33 SER CA C 33 56.745 56.745 56.989 -0.244 18269
140 1 1 . 1 1 33 33 SER CB C 33 64.899 64.899 64.304 0.595 18269
141 1 1 . 1 1 33 33 SER H H 33 7.699 7.699 7.798 -0.099 18269
142 1 1 . 1 1 34 34 LEU N N 34 124.359 124.359 127.512 -3.153 18269
143 1 1 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.007 -0.154 18269
144 1 1 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.198 1.473 18269
145 1 1 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.540 0.006 18269
146 1 1 . 1 1 34 34 LEU H H 34 8.935 8.935 8.975 -0.040 18269
147 1 1 . 1 1 35 35 ASP N N 35 115.345 115.345 117.402 -2.057 18269
148 1 1 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.466 -0.088 18269
149 1 1 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.733 -0.875 18269
150 1 1 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.254 -0.094 18269
151 1 1 . 1 1 35 35 ASP H H 35 8.575 8.575 8.609 -0.034 18269
152 1 1 . 1 1 36 36 THR N N 36 116.789 116.789 116.927 -0.138 18269
153 1 1 . 1 1 36 36 THR HA H 36 4.015 4.015 4.213 -0.198 18269
154 1 1 . 1 1 36 36 THR CA C 36 66.069 66.069 66.410 -0.341 18269
155 1 1 . 1 1 36 36 THR CB C 36 68.780 68.780 68.704 0.076 18269
156 1 1 . 1 1 36 36 THR H H 36 7.593 7.593 7.325 0.268 18269
157 1 1 . 1 1 37 37 ILE N N 37 120.685 120.685 121.587 -0.902 18269
158 1 1 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.781 -0.412 18269
159 1 1 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.811 -0.010 18269
160 1 1 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.548 -0.457 18269
161 1 1 . 1 1 37 37 ILE H H 37 8.436 8.436 8.616 -0.180 18269
162 1 1 . 1 1 38 38 GLU N N 38 118.792 118.792 120.688 -1.896 18269
163 1 1 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.972 -0.294 18269
164 1 1 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.819 1.241 18269
165 1 1 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.515 0.356 18269
166 1 1 . 1 1 38 38 GLU H H 38 8.122 8.122 7.992 0.130 18269
167 1 1 . 1 1 39 39 LYS N N 39 116.986 116.986 120.060 -3.074 18269
168 1 1 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.142 -0.181 18269
169 1 1 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.722 1.024 18269
170 1 1 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.121 0.189 18269
171 1 1 . 1 1 39 39 LYS H H 39 7.586 7.586 7.648 -0.062 18269
172 1 1 . 1 1 40 40 GLU N N 40 117.892 117.892 119.644 -1.752 18269
173 1 1 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.365 -0.160 18269
174 1 1 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.458 -0.099 18269
175 1 1 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.412 -0.833 18269
176 1 1 . 1 1 40 40 GLU H H 40 8.690 8.690 8.532 0.158 18269
177 1 1 . 1 1 41 41 LEU N N 41 125.830 125.830 121.590 4.240 18269
178 1 1 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.816 -0.269 18269
179 1 1 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.356 -0.528 18269
180 1 1 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.757 -1.419 18269
181 1 1 . 1 1 41 41 LEU H H 41 8.978 8.978 8.318 0.660 18269
182 1 1 . 1 1 42 42 ILE N N 42 119.900 119.900 119.093 0.807 18269
183 1 1 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.491 0.093 18269
184 1 1 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.732 0.100 18269
185 1 1 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.565 0.225 18269
186 1 1 . 1 1 42 42 ILE H H 42 7.884 7.884 7.759 0.125 18269
187 1 1 . 1 1 43 43 SER N N 43 114.071 114.071 116.249 -2.178 18269
188 1 1 . 1 1 43 43 SER HA H 43 4.277 4.277 4.132 0.145 18269
189 1 1 . 1 1 43 43 SER CA C 43 61.598 61.598 61.825 -0.227 18269
190 1 1 . 1 1 43 43 SER CB C 43 62.767 62.767 63.220 -0.453 18269
191 1 1 . 1 1 43 43 SER H H 43 7.791 7.791 8.159 -0.368 18269
192 1 1 . 1 1 44 44 PHE N N 44 125.036 125.036 122.842 2.194 18269
193 1 1 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.429 -0.100 18269
194 1 1 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.047 -0.790 18269
195 1 1 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.627 1.004 18269
196 1 1 . 1 1 44 44 PHE H H 44 9.060 9.060 8.790 0.270 18269
197 1 1 . 1 1 45 45 CYS N N 45 112.824 112.824 118.851 -6.027 18269
198 1 1 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.232 0.374 18269
199 1 1 . 1 1 45 45 CYS CA C 45 59.236 59.236 63.141 -3.905 18269
200 1 1 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.975 16.648 18269
201 1 1 . 1 1 45 45 CYS H H 45 8.254 8.254 8.704 -0.450 18269
202 1 1 . 1 1 46 46 LEU N N 46 123.875 123.875 117.806 6.069 18269
203 1 1 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.192 -0.017 18269
204 1 1 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.844 1.307 18269
205 1 1 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.178 0.074 18269
206 1 1 . 1 1 46 46 LEU H H 46 7.776 7.776 7.751 0.025 18269
207 1 1 . 1 1 47 47 ASP N N 47 116.880 116.880 119.638 -2.758 18269
208 1 1 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.711 0.199 18269
209 1 1 . 1 1 47 47 ASP CA C 47 53.585 53.585 53.641 -0.056 18269
210 1 1 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.835 0.540 18269
211 1 1 . 1 1 47 47 ASP H H 47 7.852 7.852 7.933 -0.081 18269
212 1 1 . 1 1 48 48 THR N N 48 108.053 108.053 113.972 -5.919 18269
213 1 1 . 1 1 48 48 THR HA H 48 4.461 4.461 4.430 0.031 18269
214 1 1 . 1 1 48 48 THR CA C 48 60.844 60.844 60.634 0.210 18269
215 1 1 . 1 1 48 48 THR CB C 48 73.395 73.395 71.111 2.284 18269
216 1 1 . 1 1 48 48 THR H H 48 7.139 7.139 7.680 -0.541 18269
217 1 1 . 1 1 49 49 LYS N N 49 118.308 118.308 119.980 -1.672 18269
218 1 1 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.651 0.067 18269
219 1 1 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.152 -0.108 18269
220 1 1 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.048 3.522 18269
221 1 1 . 1 1 49 49 LYS H H 49 8.755 8.755 8.326 0.429 18269
222 1 1 . 1 1 50 50 GLY N N 50 108.996 108.996 110.658 -1.662 18269
223 1 1 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.773 -0.930 18269
224 1 1 . 1 1 50 50 GLY H H 50 8.866 8.866 8.684 0.182 18269
225 1 1 . 1 1 51 51 LYS N N 51 126.155 126.155 121.480 4.675 18269
226 1 1 . 1 1 51 51 LYS HA H 51 3.970 3.970 3.954 0.016 18269
227 1 1 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.650 -1.540 18269
228 1 1 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.793 0.826 18269
229 1 1 . 1 1 51 51 LYS H H 51 9.254 9.254 8.622 0.632 18269
230 1 1 . 1 1 52 52 GLU N N 52 116.496 116.496 118.396 -1.900 18269
231 1 1 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.053 -0.530 18269
232 1 1 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.124 0.266 18269
233 1 1 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.845 -1.159 18269
234 1 1 . 1 1 52 52 GLU H H 52 8.223 8.223 8.105 0.118 18269
235 1 1 . 1 1 53 53 ASN N N 53 119.000 119.000 118.602 0.398 18269
236 1 1 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.649 -0.265 18269
237 1 1 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.511 1.467 18269
238 1 1 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.564 0.882 18269
239 1 1 . 1 1 53 53 ASN H H 53 6.840 6.840 8.408 -1.568 18269
240 1 1 . 1 1 54 54 ARG N N 54 118.480 118.480 119.173 -0.693 18269
241 1 1 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.449 -0.680 18269
242 1 1 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.479 -0.082 18269
243 1 1 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.418 -1.678 18269
244 1 1 . 1 1 54 54 ARG H H 54 7.456 7.456 8.069 -0.613 18269
245 1 1 . 1 1 55 55 LEU N N 55 118.688 118.688 121.985 -3.297 18269
246 1 1 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.274 -0.466 18269
247 1 1 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.162 0.297 18269
248 1 1 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.861 -1.741 18269
249 1 1 . 1 1 55 55 LEU H H 55 7.843 7.843 7.938 -0.095 18269
250 1 1 . 1 1 56 56 CYS N N 56 115.905 115.905 117.057 -1.152 18269
251 1 1 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.834 0.039 18269
252 1 1 . 1 1 56 56 CYS CA C 56 63.037 63.037 62.431 0.606 18269
253 1 1 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.563 17.342 18269
254 1 1 . 1 1 56 56 CYS H H 56 7.752 7.752 7.711 0.041 18269
255 1 1 . 1 1 57 57 TYR N N 57 121.810 121.810 118.614 3.196 18269
256 1 1 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.098 0.045 18269
257 1 1 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.420 0.894 18269
258 1 1 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.334 -0.280 18269
259 1 1 . 1 1 57 57 TYR H H 57 7.911 7.911 7.437 0.474 18269
260 1 1 . 1 1 58 58 TYR N N 58 121.916 121.916 114.297 7.619 18269
261 1 1 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.429 -0.054 18269
262 1 1 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.309 -1.300 18269
263 1 1 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.445 -0.421 18269
264 1 1 . 1 1 58 58 TYR H H 58 8.334 8.334 7.716 0.618 18269
265 1 1 . 1 1 59 59 LEU N N 59 114.461 114.461 116.398 -1.937 18269
266 1 1 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.565 -0.445 18269
267 1 1 . 1 1 59 59 LEU CA C 59 55.229 55.229 54.952 0.277 18269
268 1 1 . 1 1 59 59 LEU CB C 59 42.045 42.045 43.270 -1.225 18269
269 1 1 . 1 1 59 59 LEU H H 59 8.079 8.079 7.437 0.642 18269
270 1 1 . 1 1 60 60 GLY N N 60 102.559 102.559 104.724 -2.165 18269
271 1 1 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.492 1.080 18269
272 1 1 . 1 1 60 60 GLY H H 60 7.562 7.562 7.917 -0.355 18269
273 1 1 . 1 1 61 61 ALA N N 61 120.327 120.327 123.492 -3.165 18269
274 1 1 . 1 1 61 61 ALA HA H 61 4.401 4.401 3.935 0.466 18269
275 1 1 . 1 1 61 61 ALA CA C 61 51.265 51.265 53.407 -2.142 18269
276 1 1 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.011 2.326 18269
277 1 1 . 1 1 61 61 ALA H H 61 7.995 7.995 8.280 -0.285 18269
278 1 1 . 1 1 62 62 THR N N 62 106.895 106.895 108.738 -1.843 18269
279 1 1 . 1 1 62 62 THR HA H 62 4.518 4.518 3.869 0.649 18269
280 1 1 . 1 1 62 62 THR CA C 62 59.982 59.982 63.130 -3.148 18269
281 1 1 . 1 1 62 62 THR CB C 62 70.540 70.540 68.207 2.333 18269
282 1 1 . 1 1 62 62 THR H H 62 7.156 7.156 8.589 -1.433 18269
283 1 1 . 1 1 63 63 LYS N N 63 121.251 121.251 114.798 6.453 18269
284 1 1 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.060 0.037 18269
285 1 1 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.892 0.380 18269
286 1 1 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.291 0.864 18269
287 1 1 . 1 1 63 63 LYS H H 63 8.626 8.626 8.260 0.366 18269
288 1 1 . 1 1 64 64 ASP N N 64 116.607 116.607 118.385 -1.778 18269
289 1 1 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.772 -0.215 18269
290 1 1 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.098 0.804 18269
291 1 1 . 1 1 64 64 ASP CB C 64 40.106 40.106 43.133 -3.027 18269
292 1 1 . 1 1 64 64 ASP H H 64 8.441 8.441 7.827 0.614 18269
293 1 1 . 1 1 65 65 ALA N N 65 122.486 122.486 123.615 -1.129 18269
294 1 1 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.024 0.061 18269
295 1 1 . 1 1 65 65 ALA CA C 65 52.549 52.549 53.872 -1.323 18269
296 1 1 . 1 1 65 65 ALA CB C 65 19.557 19.557 18.102 1.455 18269
297 1 1 . 1 1 65 65 ALA H H 65 7.368 7.368 8.475 -1.107 18269
298 1 1 . 1 1 66 66 ALA N N 66 124.171 124.171 123.795 0.376 18269
299 1 1 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.704 -0.260 18269
300 1 1 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.749 0.722 18269
301 1 1 . 1 1 66 66 ALA CB C 66 19.265 19.265 20.477 -1.212 18269
302 1 1 . 1 1 66 66 ALA H H 66 8.300 8.300 7.914 0.386 18269
303 1 1 . 1 1 67 67 THR N N 67 111.638 111.638 117.806 -6.168 18269
304 1 1 . 1 1 67 67 THR HA H 67 4.496 4.496 4.175 0.321 18269
305 1 1 . 1 1 67 67 THR CA C 67 60.881 60.881 64.256 -3.375 18269
306 1 1 . 1 1 67 67 THR CB C 67 70.199 70.199 68.989 1.210 18269
307 1 1 . 1 1 67 67 THR H H 67 7.730 7.730 8.472 -0.742 18269
308 1 1 . 1 1 68 68 LYS N N 68 121.732 121.732 121.788 -0.056 18269
309 1 1 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.229 0.307 18269
310 1 1 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.216 -1.654 18269
311 1 1 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.921 1.178 18269
312 1 1 . 1 1 68 68 LYS H H 68 8.502 8.502 8.196 0.306 18269
313 1 1 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.917 0.422 18269
314 1 1 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.209 -1.503 18269
315 1 1 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.562 0.238 18269
316 1 1 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.075 0.056 18269
317 1 1 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.838 0.778 18269
318 1 1 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.811 -0.073 18269
319 1 1 . 1 1 71 71 SER HA H 71 4.817 4.817 4.251 0.566 18269
320 1 1 . 1 1 71 71 SER CA C 71 60.667 60.667 61.323 -0.656 18269
321 1 1 . 1 1 71 71 SER CB C 71 62.646 62.646 62.638 0.008 18269
322 1 1 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.196 0.068 18269
323 1 1 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.229 -1.600 18269
324 1 1 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.420 -1.173 18269
325 1 1 . 1 1 73 73 VAL N N 73 114.786 114.786 116.531 -1.745 18269
326 1 1 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.933 0.169 18269
327 1 1 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.237 -1.496 18269
328 1 1 . 1 1 73 73 VAL CB C 73 33.265 33.265 33.041 0.224 18269
329 1 1 . 1 1 73 73 VAL H H 73 7.812 7.812 7.403 0.409 18269
330 1 1 . 1 1 74 74 THR HA H 74 3.767 3.767 3.937 -0.170 18269
331 1 1 . 1 1 74 74 THR CA C 74 65.584 65.584 66.148 -0.564 18269
332 1 1 . 1 1 74 74 THR CB C 74 67.470 67.470 68.859 -1.389 18269
333 1 1 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.218 0.028 18269
334 1 1 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.155 1.228 18269
335 1 1 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.889 0.731 18269
336 1 1 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.534 -0.049 18269
337 1 1 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.751 0.946 18269
338 1 1 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.411 -0.516 18269
339 1 1 . 1 1 77 77 MET N N 77 117.583 117.583 117.280 0.303 18269
340 1 1 . 1 1 77 77 MET HA H 77 4.684 4.684 4.512 0.172 18269
341 1 1 . 1 1 77 77 MET CA C 77 59.347 59.347 55.752 3.595 18269
342 1 1 . 1 1 77 77 MET CB C 77 32.996 32.996 32.048 0.948 18269
343 1 1 . 1 1 77 77 MET H H 77 7.685 7.685 7.779 -0.094 18269
344 1 1 . 1 1 78 78 SER N N 78 114.578 114.578 113.871 0.707 18269
345 1 1 . 1 1 78 78 SER HA H 78 4.226 4.226 4.602 -0.376 18269
346 1 1 . 1 1 78 78 SER CA C 78 61.922 61.922 58.868 3.054 18269
347 1 1 . 1 1 78 78 SER CB C 78 62.406 62.406 64.030 -1.624 18269
348 1 1 . 1 1 78 78 SER H H 78 8.285 8.285 7.556 0.729 18269
349 1 1 . 1 1 79 79 VAL N N 79 111.248 111.248 119.314 -8.066 18269
350 1 1 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.217 0.534 18269
351 1 1 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.259 -0.133 18269
352 1 1 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.981 -4.635 18269
353 1 1 . 1 1 79 79 VAL H H 79 7.004 7.004 7.122 -0.118 18269
354 1 1 . 1 1 80 80 HIS N N 80 116.703 116.703 128.004 -11.301 18269
355 1 1 . 1 1 80 80 HIS HA H 80 4.116 4.116 5.058 -0.942 18269
356 1 1 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.450 -0.624 18269
357 1 1 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.394 -3.505 18269
358 1 1 . 1 1 80 80 HIS H H 80 8.289 8.289 8.733 -0.444 18269
359 1 1 . 1 1 81 81 MET N N 81 120.978 120.978 126.394 -5.416 18269
360 1 1 . 1 1 81 81 MET HA H 81 4.512 4.512 4.873 -0.361 18269
361 1 1 . 1 1 81 81 MET CA C 81 55.007 55.007 52.869 2.138 18269
362 1 1 . 1 1 81 81 MET CB C 81 33.265 33.265 34.694 -1.429 18269
363 1 1 . 1 1 81 81 MET H H 81 8.006 8.006 8.788 -0.782 18269
364 1 1 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.161 0.180 18269
365 1 1 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.628 -1.392 18269
366 1 1 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.626 2.037 18269
367 1 1 . 1 1 83 83 ALA N N 83 126.545 126.545 119.554 6.991 18269
368 1 1 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.729 0.217 18269
369 1 1 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.573 1.400 18269
370 1 1 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.180 1.295 18269
371 1 1 . 1 1 83 83 ALA H H 83 9.196 9.196 7.897 1.299 18269
372 1 1 . 1 1 84 84 MET N N 84 114.734 114.734 117.290 -2.556 18269
373 1 1 . 1 1 84 84 MET HA H 84 4.024 4.024 4.290 -0.266 18269
374 1 1 . 1 1 84 84 MET CA C 84 58.812 58.812 58.662 0.150 18269
375 1 1 . 1 1 84 84 MET CB C 84 32.242 32.242 32.457 -0.215 18269
376 1 1 . 1 1 84 84 MET H H 84 9.289 9.289 7.782 1.507 18269
377 1 1 . 1 1 85 85 LYS N N 85 116.490 116.490 120.539 -4.049 18269
378 1 1 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.337 -0.163 18269
379 1 1 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.501 -0.385 18269
380 1 1 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.854 -0.061 18269
381 1 1 . 1 1 85 85 LYS H H 85 6.997 6.997 8.150 -1.153 18269
382 1 1 . 1 1 86 86 ILE N N 86 120.561 120.561 119.909 0.652 18269
383 1 1 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.720 -0.105 18269
384 1 1 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.438 1.840 18269
385 1 1 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.668 -0.148 18269
386 1 1 . 1 1 86 86 ILE H H 86 7.875 7.875 7.765 0.110 18269
387 1 1 . 1 1 87 87 CYS N N 87 117.323 117.323 119.029 -1.706 18269
388 1 1 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.180 -0.104 18269
389 1 1 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.061 -0.001 18269
390 1 1 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.847 16.886 18269
391 1 1 . 1 1 87 87 CYS H H 87 8.643 8.643 7.756 0.887 18269
392 1 1 . 1 1 88 88 GLU N N 88 118.070 118.070 120.279 -2.209 18269
393 1 1 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.011 -0.063 18269
394 1 1 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.061 0.702 18269
395 1 1 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.461 0.303 18269
396 1 1 . 1 1 88 88 GLU H H 88 8.045 8.045 7.919 0.126 18269
397 1 1 . 1 1 89 89 LYS N N 89 119.719 119.719 119.715 0.004 18269
398 1 1 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.061 0.077 18269
399 1 1 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.123 0.007 18269
400 1 1 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.358 -0.655 18269
401 1 1 . 1 1 89 89 LYS H H 89 7.530 7.530 8.064 -0.534 18269
402 1 1 . 1 1 90 90 LEU N N 90 119.550 119.550 120.100 -0.550 18269
403 1 1 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.023 -0.058 18269
404 1 1 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.840 -0.497 18269
405 1 1 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.579 -0.588 18269
406 1 1 . 1 1 90 90 LEU H H 90 8.422 8.422 8.223 0.199 18269
407 1 1 . 1 1 91 91 LYS N N 91 119.180 119.180 116.976 2.204 18269
408 1 1 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.270 -0.408 18269
409 1 1 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.083 0.522 18269
410 1 1 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.067 0.410 18269
411 1 1 . 1 1 91 91 LYS H H 91 8.218 8.218 7.346 0.872 18269
412 1 1 . 1 1 92 92 LYS N N 92 113.632 113.632 117.657 -4.025 18269
413 1 1 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.163 -0.110 18269
414 1 1 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.543 0.015 18269
415 1 1 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.681 -0.747 18269
416 1 1 . 1 1 92 92 LYS H H 92 6.984 6.984 7.492 -0.508 18269
417 1 1 . 1 1 93 93 LEU N N 93 119.104 119.104 118.828 0.276 18269
418 1 1 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.366 -0.076 18269
419 1 1 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.727 0.377 18269
420 1 1 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.633 -1.531 18269
421 1 1 . 1 1 93 93 LEU H H 93 7.456 7.456 7.501 -0.045 18269
422 1 1 . 1 1 94 94 ASP N N 94 116.790 116.790 116.121 0.669 18269
423 1 1 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.820 -0.264 18269
424 1 1 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.016 0.350 18269
425 1 1 . 1 1 94 94 ASP CB C 94 41.173 41.173 44.271 -3.098 18269
426 1 1 . 1 1 94 94 ASP H H 94 7.911 7.911 8.277 -0.366 18269
427 1 1 . 1 1 95 95 SER N N 95 122.399 122.399 118.721 3.678 18269
428 1 1 . 1 1 95 95 SER HA H 95 4.186 4.186 4.282 -0.096 18269
429 1 1 . 1 1 95 95 SER CA C 95 61.472 61.472 60.058 1.414 18269
430 1 1 . 1 1 95 95 SER CB C 95 62.568 62.568 63.348 -0.780 18269
431 1 1 . 1 1 95 95 SER H H 95 8.894 8.894 8.751 0.143 18269
432 1 1 . 1 1 96 96 GLN N N 96 120.800 120.800 121.692 -0.892 18269
433 1 1 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.011 -0.149 18269
434 1 1 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.349 0.802 18269
435 1 1 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.213 0.204 18269
436 1 1 . 1 1 96 96 GLN H H 96 8.610 8.610 8.651 -0.041 18269
437 1 1 . 1 1 97 97 ILE N N 97 117.387 117.387 116.355 1.032 18269
438 1 1 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.461 -0.062 18269
439 1 1 . 1 1 97 97 ILE CA C 97 65.831 65.831 62.879 2.952 18269
440 1 1 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.896 0.378 18269
441 1 1 . 1 1 97 97 ILE H H 97 7.470 7.470 7.566 -0.096 18269
442 1 1 . 1 1 98 98 CYS N N 98 113.485 113.485 120.814 -7.329 18269
443 1 1 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.325 0.746 18269
444 1 1 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.162 2.811 18269
445 1 1 . 1 1 98 98 CYS CB C 98 48.586 48.586 24.260 24.326 18269
446 1 1 . 1 1 98 98 CYS H H 98 7.410 7.410 7.563 -0.153 18269
447 1 1 . 1 1 99 99 GLU N N 99 119.123 119.123 125.156 -6.033 18269
448 1 1 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.276 0.047 18269
449 1 1 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.351 0.375 18269
450 1 1 . 1 1 99 99 GLU CB C 99 29.979 29.979 31.044 -1.065 18269
451 1 1 . 1 1 99 99 GLU H H 99 7.308 7.308 7.817 -0.509 18269
452 1 1 . 1 1 100 100 LEU N N 100 115.771 115.771 117.018 -1.247 18269
453 1 1 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.921 0.376 18269
454 1 1 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.596 0.086 18269
455 1 1 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.630 2.331 18269
456 1 1 . 1 1 100 100 LEU H H 100 6.496 6.496 8.513 -2.017 18269
457 1 1 . 1 1 101 101 LYS N N 101 125.672 125.672 118.988 6.684 18269
458 1 1 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.060 0.534 18269
459 1 1 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.351 -1.001 18269
460 1 1 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.040 3.683 18269
461 1 1 . 1 1 101 101 LYS H H 101 8.575 8.575 7.295 1.280 18269
462 1 1 . 1 1 102 102 TYR N N 102 120.395 120.395 124.099 -3.704 18269
463 1 1 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.218 0.164 18269
464 1 1 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.617 -1.593 18269
465 1 1 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.909 -0.581 18269
466 1 1 . 1 1 102 102 TYR H H 102 8.756 8.756 8.846 -0.090 18269
467 1 1 . 1 1 103 103 GLU N N 103 121.550 121.550 116.319 5.231 18269
468 1 1 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.573 -0.181 18269
469 1 1 . 1 1 103 103 GLU CA C 103 56.327 56.327 55.934 0.393 18269
470 1 1 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.314 0.988 18269
471 1 1 . 1 1 103 103 GLU H H 103 8.835 8.835 8.326 0.509 18269
472 1 1 . 1 1 104 104 LYS N N 104 122.957 122.957 121.637 1.320 18269
473 1 1 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.292 0.169 18269
474 1 1 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.620 -0.346 18269
475 1 1 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.716 0.331 18269
476 1 1 . 1 1 104 104 LYS H H 104 8.490 8.490 8.927 -0.437 18269
477 1 2 . 1 1 2 2 GLU N N 2 121.590 121.590 117.985 3.605 18269
478 1 2 . 1 1 2 2 GLU HA H 2 4.294 4.294 3.974 0.320 18269
479 1 2 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.330 -0.813 18269
480 1 2 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.254 0.897 18269
481 1 2 . 1 1 2 2 GLU H H 2 8.621 8.621 8.873 -0.252 18269
482 1 2 . 1 1 3 3 ALA N N 3 125.815 125.815 123.708 2.107 18269
483 1 2 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.740 -0.374 18269
484 1 2 . 1 1 3 3 ALA CA C 3 52.657 52.657 50.949 1.708 18269
485 1 2 . 1 1 3 3 ALA CB C 3 18.947 18.947 21.813 -2.866 18269
486 1 2 . 1 1 3 3 ALA H H 3 8.598 8.598 8.265 0.333 18269
487 1 2 . 1 1 4 4 GLY N N 4 108.386 108.386 108.573 -0.187 18269
488 1 2 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.987 -0.850 18269
489 1 2 . 1 1 4 4 GLY H H 4 8.487 8.487 8.747 -0.260 18269
490 1 2 . 1 1 5 5 GLY N N 5 108.367 108.367 114.858 -6.491 18269
491 1 2 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.669 0.085 18269
492 1 2 . 1 1 5 5 GLY H H 5 8.274 8.274 8.136 0.138 18269
493 1 2 . 1 1 6 6 ARG N N 6 121.577 121.577 117.982 3.595 18269
494 1 2 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.030 0.645 18269
495 1 2 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.861 -1.980 18269
496 1 2 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.717 2.418 18269
497 1 2 . 1 1 6 6 ARG H H 6 8.297 8.297 8.122 0.175 18269
498 1 2 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.729 -0.238 18269
499 1 2 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.022 1.331 18269
500 1 2 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.105 0.942 18269
501 1 2 . 1 1 8 8 GLY N N 8 109.658 109.658 108.020 1.638 18269
502 1 2 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.655 -0.567 18269
503 1 2 . 1 1 8 8 GLY H H 8 8.660 8.660 8.045 0.615 18269
504 1 2 . 1 1 9 9 ALA N N 9 123.995 123.995 120.715 3.280 18269
505 1 2 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.389 0.051 18269
506 1 2 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.905 -1.108 18269
507 1 2 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.885 0.394 18269
508 1 2 . 1 1 9 9 ALA H H 9 8.200 8.200 8.091 0.109 18269
509 1 2 . 1 1 10 10 ASP N N 10 119.834 119.834 117.161 2.673 18269
510 1 2 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.619 0.038 18269
511 1 2 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.266 0.274 18269
512 1 2 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.509 -0.003 18269
513 1 2 . 1 1 10 10 ASP H H 10 8.290 8.290 8.374 -0.084 18269
514 1 2 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.481 0.149 18269
515 1 2 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.273 -5.515 18269
516 1 2 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.385 15.075 18269
517 1 2 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.995 -0.031 18269
518 1 2 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.428 0.949 18269
519 1 2 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.765 1.490 18269
520 1 2 . 1 1 13 13 VAL N N 13 117.224 117.224 118.203 -0.979 18269
521 1 2 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.806 -0.060 18269
522 1 2 . 1 1 13 13 VAL CA C 13 65.046 65.046 65.955 -0.909 18269
523 1 2 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.477 0.740 18269
524 1 2 . 1 1 13 13 VAL H H 13 7.040 7.040 8.006 -0.966 18269
525 1 2 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.120 -0.035 18269
526 1 2 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.493 -1.048 18269
527 1 2 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.976 15.243 18269
528 1 2 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.038 0.021 18269
529 1 2 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.548 -1.978 18269
530 1 2 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.781 0.469 18269
531 1 2 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.193 0.138 18269
532 1 2 . 1 1 16 16 GLU CA C 16 59.174 59.174 58.926 0.248 18269
533 1 2 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.193 0.213 18269
534 1 2 . 1 1 16 16 GLU H H 16 8.098 8.098 8.084 0.014 18269
535 1 2 . 1 1 17 17 PHE N N 17 120.745 120.745 122.571 -1.826 18269
536 1 2 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.407 -0.092 18269
537 1 2 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.197 0.317 18269
538 1 2 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.312 1.201 18269
539 1 2 . 1 1 17 17 PHE H H 17 9.126 9.126 8.111 1.015 18269
540 1 2 . 1 1 18 18 LEU N N 18 115.787 115.787 119.359 -3.572 18269
541 1 2 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.824 0.319 18269
542 1 2 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.398 -0.521 18269
543 1 2 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.436 -0.484 18269
544 1 2 . 1 1 18 18 LEU H H 18 8.505 8.505 8.379 0.126 18269
545 1 2 . 1 1 19 19 ASN N N 19 117.635 117.635 116.780 0.855 18269
546 1 2 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.447 0.429 18269
547 1 2 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.852 -0.378 18269
548 1 2 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.846 -0.518 18269
549 1 2 . 1 1 19 19 ASN H H 19 8.405 8.405 8.404 0.001 18269
550 1 2 . 1 1 20 20 ARG N N 20 122.851 122.851 119.225 3.626 18269
551 1 2 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.024 0.093 18269
552 1 2 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.653 0.636 18269
553 1 2 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.216 0.239 18269
554 1 2 . 1 1 20 20 ARG H H 20 8.325 8.325 7.816 0.509 18269
555 1 2 . 1 1 21 21 PHE N N 21 121.774 121.774 121.685 0.089 18269
556 1 2 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.870 0.410 18269
557 1 2 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.469 -1.458 18269
558 1 2 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.017 -0.006 18269
559 1 2 . 1 1 21 21 PHE H H 21 8.438 8.438 7.826 0.612 18269
560 1 2 . 1 1 22 22 TYR N N 22 119.937 119.937 120.399 -0.462 18269
561 1 2 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.825 -0.036 18269
562 1 2 . 1 1 22 22 TYR CA C 22 61.652 61.652 60.156 1.496 18269
563 1 2 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.295 -0.021 18269
564 1 2 . 1 1 22 22 TYR H H 22 8.708 8.708 8.507 0.201 18269
565 1 2 . 1 1 23 23 LYS N N 23 116.431 116.431 117.234 -0.803 18269
566 1 2 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.897 -0.038 18269
567 1 2 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.094 1.048 18269
568 1 2 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.514 0.703 18269
569 1 2 . 1 1 23 23 LYS H H 23 7.928 7.928 7.746 0.182 18269
570 1 2 . 1 1 24 24 SER N N 24 113.888 113.888 118.280 -4.392 18269
571 1 2 . 1 1 24 24 SER HA H 24 4.325 4.325 4.127 0.198 18269
572 1 2 . 1 1 24 24 SER CA C 24 61.016 61.016 62.926 -1.910 18269
573 1 2 . 1 1 24 24 SER CB C 24 62.837 62.837 62.825 0.012 18269
574 1 2 . 1 1 24 24 SER H H 24 7.665 7.665 7.900 -0.235 18269
575 1 2 . 1 1 25 25 LEU N N 25 119.663 119.663 120.657 -0.994 18269
576 1 2 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.912 -0.233 18269
577 1 2 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.948 -0.443 18269
578 1 2 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.886 1.016 18269
579 1 2 . 1 1 25 25 LEU H H 25 7.573 7.573 7.489 0.084 18269
580 1 2 . 1 1 26 26 ILE N N 26 119.781 119.781 119.173 0.608 18269
581 1 2 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.741 0.115 18269
582 1 2 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.863 -0.314 18269
583 1 2 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.783 0.522 18269
584 1 2 . 1 1 26 26 ILE H H 26 8.094 8.094 7.007 1.087 18269
585 1 2 . 1 1 27 27 ASP N N 27 122.421 122.421 120.095 2.326 18269
586 1 2 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.411 -0.035 18269
587 1 2 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.679 0.341 18269
588 1 2 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.340 -1.260 18269
589 1 2 . 1 1 27 27 ASP H H 27 9.091 9.091 7.988 1.103 18269
590 1 2 . 1 1 28 28 ARG N N 28 115.349 115.349 116.965 -1.616 18269
591 1 2 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.456 -0.151 18269
592 1 2 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.284 0.214 18269
593 1 2 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.911 0.702 18269
594 1 2 . 1 1 28 28 ARG H H 28 7.587 7.587 8.362 -0.775 18269
595 1 2 . 1 1 29 29 GLY N N 29 109.999 109.999 109.005 0.994 18269
596 1 2 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.488 1.173 18269
597 1 2 . 1 1 29 29 GLY H H 29 7.909 7.909 7.782 0.127 18269
598 1 2 . 1 1 30 30 VAL N N 30 118.740 118.740 118.201 0.539 18269
599 1 2 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.200 -0.441 18269
600 1 2 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.713 0.757 18269
601 1 2 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.940 -0.614 18269
602 1 2 . 1 1 30 30 VAL H H 30 7.701 7.701 8.502 -0.801 18269
603 1 2 . 1 1 31 31 ASN N N 31 123.250 123.250 117.643 5.607 18269
604 1 2 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.657 0.056 18269
605 1 2 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.343 1.145 18269
606 1 2 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.462 -0.252 18269
607 1 2 . 1 1 31 31 ASN H H 31 8.498 8.498 7.480 1.018 18269
608 1 2 . 1 1 32 32 PHE N N 32 126.076 126.076 111.896 14.180 18269
609 1 2 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.314 -0.176 18269
610 1 2 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.057 -1.410 18269
611 1 2 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.678 -0.899 18269
612 1 2 . 1 1 32 32 PHE H H 32 8.783 8.783 8.716 0.067 18269
613 1 2 . 1 1 33 33 SER N N 33 115.958 115.958 115.342 0.616 18269
614 1 2 . 1 1 33 33 SER HA H 33 4.736 4.736 4.863 -0.127 18269
615 1 2 . 1 1 33 33 SER CA C 33 56.745 56.745 57.300 -0.555 18269
616 1 2 . 1 1 33 33 SER CB C 33 64.899 64.899 64.490 0.409 18269
617 1 2 . 1 1 33 33 SER H H 33 7.699 7.699 7.836 -0.137 18269
618 1 2 . 1 1 34 34 LEU N N 34 124.359 124.359 128.434 -4.075 18269
619 1 2 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.072 -0.219 18269
620 1 2 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.183 1.488 18269
621 1 2 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.822 -0.276 18269
622 1 2 . 1 1 34 34 LEU H H 34 8.935 8.935 8.871 0.064 18269
623 1 2 . 1 1 35 35 ASP N N 35 115.345 115.345 117.628 -2.283 18269
624 1 2 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.458 -0.080 18269
625 1 2 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.485 -0.627 18269
626 1 2 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.570 -0.410 18269
627 1 2 . 1 1 35 35 ASP H H 35 8.575 8.575 8.601 -0.026 18269
628 1 2 . 1 1 36 36 THR N N 36 116.789 116.789 117.022 -0.233 18269
629 1 2 . 1 1 36 36 THR HA H 36 4.015 4.015 4.146 -0.131 18269
630 1 2 . 1 1 36 36 THR CA C 36 66.069 66.069 66.801 -0.732 18269
631 1 2 . 1 1 36 36 THR CB C 36 68.780 68.780 68.767 0.013 18269
632 1 2 . 1 1 36 36 THR H H 36 7.593 7.593 7.301 0.292 18269
633 1 2 . 1 1 37 37 ILE N N 37 120.685 120.685 121.561 -0.876 18269
634 1 2 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.718 -0.349 18269
635 1 2 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.817 -0.017 18269
636 1 2 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.631 -0.540 18269
637 1 2 . 1 1 37 37 ILE H H 37 8.436 8.436 8.672 -0.236 18269
638 1 2 . 1 1 38 38 GLU N N 38 118.792 118.792 121.020 -2.228 18269
639 1 2 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.919 -0.241 18269
640 1 2 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.928 1.132 18269
641 1 2 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.533 0.338 18269
642 1 2 . 1 1 38 38 GLU H H 38 8.122 8.122 8.046 0.076 18269
643 1 2 . 1 1 39 39 LYS N N 39 116.986 116.986 118.667 -1.681 18269
644 1 2 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.096 -0.135 18269
645 1 2 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.763 0.983 18269
646 1 2 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.027 0.283 18269
647 1 2 . 1 1 39 39 LYS H H 39 7.586 7.586 7.877 -0.291 18269
648 1 2 . 1 1 40 40 GLU N N 40 117.892 117.892 118.895 -1.003 18269
649 1 2 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.378 -0.173 18269
650 1 2 . 1 1 40 40 GLU CA C 40 58.359 58.359 57.864 0.495 18269
651 1 2 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.296 -0.717 18269
652 1 2 . 1 1 40 40 GLU H H 40 8.690 8.690 7.993 0.697 18269
653 1 2 . 1 1 41 41 LEU N N 41 125.830 125.830 122.940 2.890 18269
654 1 2 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.850 -0.303 18269
655 1 2 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.996 -0.168 18269
656 1 2 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.697 -1.359 18269
657 1 2 . 1 1 41 41 LEU H H 41 8.978 8.978 8.141 0.837 18269
658 1 2 . 1 1 42 42 ILE N N 42 119.900 119.900 119.654 0.246 18269
659 1 2 . 1 1 42 42 ILE HA H 42 3.584 3.584 4.056 -0.472 18269
660 1 2 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.372 1.460 18269
661 1 2 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.734 0.056 18269
662 1 2 . 1 1 42 42 ILE H H 42 7.884 7.884 8.164 -0.280 18269
663 1 2 . 1 1 43 43 SER N N 43 114.071 114.071 115.777 -1.706 18269
664 1 2 . 1 1 43 43 SER HA H 43 4.277 4.277 4.164 0.113 18269
665 1 2 . 1 1 43 43 SER CA C 43 61.598 61.598 61.732 -0.134 18269
666 1 2 . 1 1 43 43 SER CB C 43 62.767 62.767 63.225 -0.458 18269
667 1 2 . 1 1 43 43 SER H H 43 7.791 7.791 7.998 -0.207 18269
668 1 2 . 1 1 44 44 PHE N N 44 125.036 125.036 121.706 3.330 18269
669 1 2 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.256 0.073 18269
670 1 2 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.424 -0.167 18269
671 1 2 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.255 1.376 18269
672 1 2 . 1 1 44 44 PHE H H 44 9.060 9.060 8.772 0.288 18269
673 1 2 . 1 1 45 45 CYS N N 45 112.824 112.824 119.594 -6.770 18269
674 1 2 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.320 0.286 18269
675 1 2 . 1 1 45 45 CYS CA C 45 59.236 59.236 63.279 -4.043 18269
676 1 2 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.219 16.404 18269
677 1 2 . 1 1 45 45 CYS H H 45 8.254 8.254 8.332 -0.078 18269
678 1 2 . 1 1 46 46 LEU N N 46 123.875 123.875 117.459 6.416 18269
679 1 2 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.237 -0.062 18269
680 1 2 . 1 1 46 46 LEU CA C 46 58.151 58.151 55.929 2.222 18269
681 1 2 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.856 0.396 18269
682 1 2 . 1 1 46 46 LEU H H 46 7.776 7.776 7.625 0.151 18269
683 1 2 . 1 1 47 47 ASP N N 47 116.880 116.880 118.086 -1.206 18269
684 1 2 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.395 0.515 18269
685 1 2 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.729 -2.144 18269
686 1 2 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.444 -1.069 18269
687 1 2 . 1 1 47 47 ASP H H 47 7.852 7.852 8.000 -0.148 18269
688 1 2 . 1 1 48 48 THR N N 48 108.053 108.053 112.402 -4.349 18269
689 1 2 . 1 1 48 48 THR HA H 48 4.461 4.461 4.201 0.260 18269
690 1 2 . 1 1 48 48 THR CA C 48 60.844 60.844 62.130 -1.286 18269
691 1 2 . 1 1 48 48 THR CB C 48 73.395 73.395 70.080 3.315 18269
692 1 2 . 1 1 48 48 THR H H 48 7.139 7.139 7.498 -0.359 18269
693 1 2 . 1 1 49 49 LYS N N 49 118.308 118.308 117.554 0.754 18269
694 1 2 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.524 0.194 18269
695 1 2 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.238 -1.194 18269
696 1 2 . 1 1 49 49 LYS CB C 49 36.570 36.570 34.002 2.568 18269
697 1 2 . 1 1 49 49 LYS H H 49 8.755 8.755 8.161 0.594 18269
698 1 2 . 1 1 50 50 GLY N N 50 108.996 108.996 108.330 0.666 18269
699 1 2 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.617 -0.774 18269
700 1 2 . 1 1 50 50 GLY H H 50 8.866 8.866 8.853 0.013 18269
701 1 2 . 1 1 51 51 LYS N N 51 126.155 126.155 121.159 4.996 18269
702 1 2 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.035 -0.066 18269
703 1 2 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.487 -1.377 18269
704 1 2 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.118 0.501 18269
705 1 2 . 1 1 51 51 LYS H H 51 9.254 9.254 8.538 0.716 18269
706 1 2 . 1 1 52 52 GLU N N 52 116.496 116.496 119.338 -2.842 18269
707 1 2 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.211 -0.688 18269
708 1 2 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.477 -0.087 18269
709 1 2 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.478 -0.792 18269
710 1 2 . 1 1 52 52 GLU H H 52 8.223 8.223 8.122 0.101 18269
711 1 2 . 1 1 53 53 ASN N N 53 119.000 119.000 119.931 -0.931 18269
712 1 2 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.743 -0.359 18269
713 1 2 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.883 1.095 18269
714 1 2 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.678 0.768 18269
715 1 2 . 1 1 53 53 ASN H H 53 6.840 6.840 8.742 -1.902 18269
716 1 2 . 1 1 54 54 ARG N N 54 118.480 118.480 120.140 -1.660 18269
717 1 2 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.205 -0.436 18269
718 1 2 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.074 -0.677 18269
719 1 2 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.945 -1.205 18269
720 1 2 . 1 1 54 54 ARG H H 54 7.456 7.456 8.038 -0.582 18269
721 1 2 . 1 1 55 55 LEU N N 55 118.688 118.688 121.225 -2.537 18269
722 1 2 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.158 -0.350 18269
723 1 2 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.011 0.448 18269
724 1 2 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.840 -1.720 18269
725 1 2 . 1 1 55 55 LEU H H 55 7.843 7.843 8.077 -0.234 18269
726 1 2 . 1 1 56 56 CYS N N 56 115.905 115.905 117.423 -1.518 18269
727 1 2 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.689 0.184 18269
728 1 2 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.951 1.086 18269
729 1 2 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.165 16.740 18269
730 1 2 . 1 1 56 56 CYS H H 56 7.752 7.752 7.860 -0.108 18269
731 1 2 . 1 1 57 57 TYR N N 57 121.810 121.810 118.505 3.305 18269
732 1 2 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.080 0.063 18269
733 1 2 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.021 0.294 18269
734 1 2 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.511 -0.457 18269
735 1 2 . 1 1 57 57 TYR H H 57 7.911 7.911 7.546 0.365 18269
736 1 2 . 1 1 58 58 TYR N N 58 121.916 121.916 114.820 7.096 18269
737 1 2 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.418 -0.043 18269
738 1 2 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.041 -0.033 18269
739 1 2 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.021 0.003 18269
740 1 2 . 1 1 58 58 TYR H H 58 8.334 8.334 7.161 1.173 18269
741 1 2 . 1 1 59 59 LEU N N 59 114.461 114.461 115.629 -1.168 18269
742 1 2 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.293 -0.173 18269
743 1 2 . 1 1 59 59 LEU CA C 59 55.229 55.229 54.993 0.236 18269
744 1 2 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.101 -0.056 18269
745 1 2 . 1 1 59 59 LEU H H 59 8.079 8.079 7.336 0.743 18269
746 1 2 . 1 1 60 60 GLY N N 60 102.559 102.559 105.739 -3.180 18269
747 1 2 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.363 0.209 18269
748 1 2 . 1 1 60 60 GLY H H 60 7.562 7.562 7.679 -0.117 18269
749 1 2 . 1 1 61 61 ALA N N 61 120.327 120.327 119.352 0.975 18269
750 1 2 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.694 -0.293 18269
751 1 2 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.513 -0.248 18269
752 1 2 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.328 0.009 18269
753 1 2 . 1 1 61 61 ALA H H 61 7.995 7.995 7.740 0.255 18269
754 1 2 . 1 1 62 62 THR N N 62 106.895 106.895 114.279 -7.384 18269
755 1 2 . 1 1 62 62 THR HA H 62 4.518 4.518 4.334 0.184 18269
756 1 2 . 1 1 62 62 THR CA C 62 59.982 59.982 61.218 -1.236 18269
757 1 2 . 1 1 62 62 THR CB C 62 70.540 70.540 69.895 0.645 18269
758 1 2 . 1 1 62 62 THR H H 62 7.156 7.156 7.757 -0.601 18269
759 1 2 . 1 1 63 63 LYS N N 63 121.251 121.251 121.123 0.128 18269
760 1 2 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.419 -0.322 18269
761 1 2 . 1 1 63 63 LYS CA C 63 58.272 58.272 55.747 2.525 18269
762 1 2 . 1 1 63 63 LYS CB C 63 32.155 32.155 33.831 -1.676 18269
763 1 2 . 1 1 63 63 LYS H H 63 8.626 8.626 8.040 0.586 18269
764 1 2 . 1 1 64 64 ASP N N 64 116.607 116.607 119.329 -2.722 18269
765 1 2 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.352 0.205 18269
766 1 2 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.850 -0.948 18269
767 1 2 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.569 -0.463 18269
768 1 2 . 1 1 64 64 ASP H H 64 8.441 8.441 8.720 -0.279 18269
769 1 2 . 1 1 65 65 ALA N N 65 122.486 122.486 120.808 1.678 18269
770 1 2 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.463 -0.378 18269
771 1 2 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.266 1.283 18269
772 1 2 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.795 -1.238 18269
773 1 2 . 1 1 65 65 ALA H H 65 7.368 7.368 7.603 -0.235 18269
774 1 2 . 1 1 66 66 ALA N N 66 124.171 124.171 121.826 2.345 18269
775 1 2 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.397 0.047 18269
776 1 2 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.248 0.223 18269
777 1 2 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.942 0.323 18269
778 1 2 . 1 1 66 66 ALA H H 66 8.300 8.300 8.543 -0.243 18269
779 1 2 . 1 1 67 67 THR N N 67 111.638 111.638 118.697 -7.059 18269
780 1 2 . 1 1 67 67 THR HA H 67 4.496 4.496 4.027 0.469 18269
781 1 2 . 1 1 67 67 THR CA C 67 60.881 60.881 64.760 -3.879 18269
782 1 2 . 1 1 67 67 THR CB C 67 70.199 70.199 68.989 1.210 18269
783 1 2 . 1 1 67 67 THR H H 67 7.730 7.730 8.635 -0.905 18269
784 1 2 . 1 1 68 68 LYS N N 68 121.732 121.732 121.801 -0.069 18269
785 1 2 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.170 0.366 18269
786 1 2 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.249 -1.687 18269
787 1 2 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.595 1.504 18269
788 1 2 . 1 1 68 68 LYS H H 68 8.502 8.502 8.212 0.290 18269
789 1 2 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.857 0.482 18269
790 1 2 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.592 -1.886 18269
791 1 2 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.595 0.205 18269
792 1 2 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.968 0.163 18269
793 1 2 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.436 0.180 18269
794 1 2 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.386 0.352 18269
795 1 2 . 1 1 71 71 SER HA H 71 4.817 4.817 4.342 0.475 18269
796 1 2 . 1 1 71 71 SER CA C 71 60.667 60.667 61.412 -0.745 18269
797 1 2 . 1 1 71 71 SER CB C 71 62.646 62.646 62.745 -0.099 18269
798 1 2 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.121 0.143 18269
799 1 2 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.574 -1.945 18269
800 1 2 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.278 -1.031 18269
801 1 2 . 1 1 73 73 VAL N N 73 114.786 114.786 118.580 -3.794 18269
802 1 2 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.901 0.201 18269
803 1 2 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.413 -1.673 18269
804 1 2 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.334 0.930 18269
805 1 2 . 1 1 73 73 VAL H H 73 7.812 7.812 8.015 -0.203 18269
806 1 2 . 1 1 74 74 THR HA H 74 3.767 3.767 3.991 -0.224 18269
807 1 2 . 1 1 74 74 THR CA C 74 65.584 65.584 65.875 -0.291 18269
808 1 2 . 1 1 74 74 THR CB C 74 67.470 67.470 68.557 -1.087 18269
809 1 2 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.262 -0.016 18269
810 1 2 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.701 0.682 18269
811 1 2 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.435 0.185 18269
812 1 2 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.463 0.022 18269
813 1 2 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.990 0.707 18269
814 1 2 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.501 -0.606 18269
815 1 2 . 1 1 77 77 MET N N 77 117.583 117.583 116.094 1.489 18269
816 1 2 . 1 1 77 77 MET HA H 77 4.684 4.684 4.407 0.277 18269
817 1 2 . 1 1 77 77 MET CA C 77 59.347 59.347 55.712 3.635 18269
818 1 2 . 1 1 77 77 MET CB C 77 32.996 32.996 31.286 1.710 18269
819 1 2 . 1 1 77 77 MET H H 77 7.685 7.685 7.737 -0.052 18269
820 1 2 . 1 1 78 78 SER N N 78 114.578 114.578 113.558 1.020 18269
821 1 2 . 1 1 78 78 SER HA H 78 4.226 4.226 4.284 -0.058 18269
822 1 2 . 1 1 78 78 SER CA C 78 61.922 61.922 59.637 2.285 18269
823 1 2 . 1 1 78 78 SER CB C 78 62.406 62.406 64.269 -1.863 18269
824 1 2 . 1 1 78 78 SER H H 78 8.285 8.285 7.756 0.529 18269
825 1 2 . 1 1 79 79 VAL N N 79 111.248 111.248 118.771 -7.523 18269
826 1 2 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.092 0.659 18269
827 1 2 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.359 -0.233 18269
828 1 2 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.608 -4.262 18269
829 1 2 . 1 1 79 79 VAL H H 79 7.004 7.004 7.066 -0.062 18269
830 1 2 . 1 1 80 80 HIS N N 80 116.703 116.703 127.595 -10.892 18269
831 1 2 . 1 1 80 80 HIS HA H 80 4.116 4.116 5.006 -0.890 18269
832 1 2 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.657 -0.831 18269
833 1 2 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.390 -3.501 18269
834 1 2 . 1 1 80 80 HIS H H 80 8.289 8.289 8.725 -0.436 18269
835 1 2 . 1 1 81 81 MET N N 81 120.978 120.978 126.532 -5.554 18269
836 1 2 . 1 1 81 81 MET HA H 81 4.512 4.512 4.912 -0.400 18269
837 1 2 . 1 1 81 81 MET CA C 81 55.007 55.007 52.862 2.145 18269
838 1 2 . 1 1 81 81 MET CB C 81 33.265 33.265 34.919 -1.653 18269
839 1 2 . 1 1 81 81 MET H H 81 8.006 8.006 9.035 -1.029 18269
840 1 2 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.176 0.165 18269
841 1 2 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.512 -1.276 18269
842 1 2 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.367 2.296 18269
843 1 2 . 1 1 83 83 ALA N N 83 126.545 126.545 120.602 5.943 18269
844 1 2 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.760 0.186 18269
845 1 2 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.917 1.056 18269
846 1 2 . 1 1 83 83 ALA CB C 83 19.475 19.475 17.908 1.567 18269
847 1 2 . 1 1 83 83 ALA H H 83 9.196 9.196 8.115 1.081 18269
848 1 2 . 1 1 84 84 MET N N 84 114.734 114.734 117.543 -2.809 18269
849 1 2 . 1 1 84 84 MET HA H 84 4.024 4.024 4.385 -0.361 18269
850 1 2 . 1 1 84 84 MET CA C 84 58.812 58.812 58.758 0.054 18269
851 1 2 . 1 1 84 84 MET CB C 84 32.242 32.242 32.393 -0.151 18269
852 1 2 . 1 1 84 84 MET H H 84 9.289 9.289 8.061 1.228 18269
853 1 2 . 1 1 85 85 LYS N N 85 116.490 116.490 117.822 -1.332 18269
854 1 2 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.099 0.075 18269
855 1 2 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.789 -0.673 18269
856 1 2 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.741 0.052 18269
857 1 2 . 1 1 85 85 LYS H H 85 6.997 6.997 8.570 -1.573 18269
858 1 2 . 1 1 86 86 ILE N N 86 120.561 120.561 120.843 -0.282 18269
859 1 2 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.676 -0.061 18269
860 1 2 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.712 1.566 18269
861 1 2 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.617 -0.097 18269
862 1 2 . 1 1 86 86 ILE H H 86 7.875 7.875 7.360 0.515 18269
863 1 2 . 1 1 87 87 CYS N N 87 117.323 117.323 120.571 -3.248 18269
864 1 2 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.095 -0.019 18269
865 1 2 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.549 -1.489 18269
866 1 2 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.818 16.915 18269
867 1 2 . 1 1 87 87 CYS H H 87 8.643 8.643 7.921 0.722 18269
868 1 2 . 1 1 88 88 GLU N N 88 118.070 118.070 118.696 -0.626 18269
869 1 2 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.086 -0.138 18269
870 1 2 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.769 0.994 18269
871 1 2 . 1 1 88 88 GLU CB C 88 29.764 29.764 28.955 0.809 18269
872 1 2 . 1 1 88 88 GLU H H 88 8.045 8.045 7.890 0.155 18269
873 1 2 . 1 1 89 89 LYS N N 89 119.719 119.719 119.648 0.071 18269
874 1 2 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.122 0.016 18269
875 1 2 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.860 0.270 18269
876 1 2 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.512 -0.809 18269
877 1 2 . 1 1 89 89 LYS H H 89 7.530 7.530 7.795 -0.265 18269
878 1 2 . 1 1 90 90 LEU N N 90 119.550 119.550 120.643 -1.093 18269
879 1 2 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.072 -0.107 18269
880 1 2 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.953 0.390 18269
881 1 2 . 1 1 90 90 LEU CB C 90 40.991 40.991 40.788 0.202 18269
882 1 2 . 1 1 90 90 LEU H H 90 8.422 8.422 8.430 -0.008 18269
883 1 2 . 1 1 91 91 LYS N N 91 119.180 119.180 117.360 1.820 18269
884 1 2 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.276 -0.414 18269
885 1 2 . 1 1 91 91 LYS CA C 91 58.605 58.605 57.974 0.631 18269
886 1 2 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.874 0.603 18269
887 1 2 . 1 1 91 91 LYS H H 91 8.218 8.218 7.596 0.622 18269
888 1 2 . 1 1 92 92 LYS N N 92 113.632 113.632 117.590 -3.958 18269
889 1 2 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.126 -0.073 18269
890 1 2 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.963 -0.405 18269
891 1 2 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.450 -0.516 18269
892 1 2 . 1 1 92 92 LYS H H 92 6.984 6.984 7.447 -0.463 18269
893 1 2 . 1 1 93 93 LEU N N 93 119.104 119.104 119.331 -0.227 18269
894 1 2 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.356 -0.066 18269
895 1 2 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.355 -0.251 18269
896 1 2 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.430 -1.328 18269
897 1 2 . 1 1 93 93 LEU H H 93 7.456 7.456 7.511 -0.055 18269
898 1 2 . 1 1 94 94 ASP N N 94 116.790 116.790 116.138 0.652 18269
899 1 2 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.730 -0.174 18269
900 1 2 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.090 0.276 18269
901 1 2 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.398 -2.225 18269
902 1 2 . 1 1 94 94 ASP H H 94 7.911 7.911 8.281 -0.370 18269
903 1 2 . 1 1 95 95 SER N N 95 122.399 122.399 119.611 2.788 18269
904 1 2 . 1 1 95 95 SER HA H 95 4.186 4.186 4.305 -0.119 18269
905 1 2 . 1 1 95 95 SER CA C 95 61.472 61.472 60.343 1.129 18269
906 1 2 . 1 1 95 95 SER CB C 95 62.568 62.568 63.527 -0.959 18269
907 1 2 . 1 1 95 95 SER H H 95 8.894 8.894 8.703 0.191 18269
908 1 2 . 1 1 96 96 GLN N N 96 120.800 120.800 122.712 -1.912 18269
909 1 2 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.939 -0.077 18269
910 1 2 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.498 -0.346 18269
911 1 2 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.262 0.155 18269
912 1 2 . 1 1 96 96 GLN H H 96 8.610 8.610 8.721 -0.111 18269
913 1 2 . 1 1 97 97 ILE N N 97 117.387 117.387 117.705 -0.318 18269
914 1 2 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.562 -0.163 18269
915 1 2 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.946 1.885 18269
916 1 2 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.604 0.670 18269
917 1 2 . 1 1 97 97 ILE H H 97 7.470 7.470 7.913 -0.443 18269
918 1 2 . 1 1 98 98 CYS N N 98 113.485 113.485 118.144 -4.659 18269
919 1 2 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.263 0.808 18269
920 1 2 . 1 1 98 98 CYS CA C 98 61.973 61.973 60.077 1.896 18269
921 1 2 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.714 20.872 18269
922 1 2 . 1 1 98 98 CYS H H 98 7.410 7.410 7.697 -0.287 18269
923 1 2 . 1 1 99 99 GLU N N 99 119.123 119.123 119.261 -0.138 18269
924 1 2 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.358 -0.035 18269
925 1 2 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.992 0.734 18269
926 1 2 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.421 0.558 18269
927 1 2 . 1 1 99 99 GLU H H 99 7.308 7.308 7.697 -0.389 18269
928 1 2 . 1 1 100 100 LEU N N 100 115.771 115.771 120.364 -4.593 18269
929 1 2 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.035 0.262 18269
930 1 2 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.382 -0.700 18269
931 1 2 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.494 0.467 18269
932 1 2 . 1 1 100 100 LEU H H 100 6.496 6.496 7.589 -1.093 18269
933 1 2 . 1 1 101 101 LYS N N 101 125.672 125.672 112.281 13.391 18269
934 1 2 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.733 0.861 18269
935 1 2 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.412 -2.062 18269
936 1 2 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.703 4.020 18269
937 1 2 . 1 1 101 101 LYS H H 101 8.575 8.575 7.604 0.971 18269
938 1 2 . 1 1 102 102 TYR N N 102 120.395 120.395 119.783 0.612 18269
939 1 2 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.487 -0.105 18269
940 1 2 . 1 1 102 102 TYR CA C 102 60.024 60.024 57.971 2.053 18269
941 1 2 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.644 -1.316 18269
942 1 2 . 1 1 102 102 TYR H H 102 8.756 8.756 8.760 -0.004 18269
943 1 2 . 1 1 103 103 GLU N N 103 121.550 121.550 119.770 1.780 18269
944 1 2 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.245 0.147 18269
945 1 2 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.883 -1.556 18269
946 1 2 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.769 0.533 18269
947 1 2 . 1 1 103 103 GLU H H 103 8.835 8.835 8.656 0.179 18269
948 1 2 . 1 1 104 104 LYS N N 104 122.957 122.957 118.772 4.185 18269
949 1 2 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.017 0.444 18269
950 1 2 . 1 1 104 104 LYS CA C 104 56.274 56.274 58.164 -1.891 18269
951 1 2 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.817 1.230 18269
952 1 2 . 1 1 104 104 LYS H H 104 8.490 8.490 8.630 -0.140 18269
953 1 3 . 1 1 2 2 GLU N N 2 121.590 121.590 119.181 2.409 18269
954 1 3 . 1 1 2 2 GLU HA H 2 4.294 4.294 3.876 0.418 18269
955 1 3 . 1 1 2 2 GLU CA C 2 56.517 56.517 58.908 -2.391 18269
956 1 3 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.671 1.480 18269
957 1 3 . 1 1 2 2 GLU H H 2 8.621 8.621 8.742 -0.121 18269
958 1 3 . 1 1 3 3 ALA N N 3 125.815 125.815 122.327 3.488 18269
959 1 3 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.523 -0.157 18269
960 1 3 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.518 0.139 18269
961 1 3 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.577 -0.630 18269
962 1 3 . 1 1 3 3 ALA H H 3 8.598 8.598 7.805 0.793 18269
963 1 3 . 1 1 4 4 GLY N N 4 108.386 108.386 106.473 1.913 18269
964 1 3 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.351 0.786 18269
965 1 3 . 1 1 4 4 GLY H H 4 8.487 8.487 8.389 0.098 18269
966 1 3 . 1 1 5 5 GLY N N 5 108.367 108.367 107.684 0.683 18269
967 1 3 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.745 0.009 18269
968 1 3 . 1 1 5 5 GLY H H 5 8.274 8.274 8.011 0.263 18269
969 1 3 . 1 1 6 6 ARG N N 6 121.577 121.577 115.880 5.697 18269
970 1 3 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.227 0.448 18269
971 1 3 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.616 -1.735 18269
972 1 3 . 1 1 6 6 ARG CB C 6 30.135 30.135 28.242 1.893 18269
973 1 3 . 1 1 6 6 ARG H H 6 8.297 8.297 8.281 0.016 18269
974 1 3 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.630 -0.139 18269
975 1 3 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.159 1.194 18269
976 1 3 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.998 1.049 18269
977 1 3 . 1 1 8 8 GLY N N 8 109.658 109.658 107.701 1.957 18269
978 1 3 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.885 -0.797 18269
979 1 3 . 1 1 8 8 GLY H H 8 8.660 8.660 8.156 0.504 18269
980 1 3 . 1 1 9 9 ALA N N 9 123.995 123.995 120.201 3.794 18269
981 1 3 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.632 -0.192 18269
982 1 3 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.093 -1.296 18269
983 1 3 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.199 0.080 18269
984 1 3 . 1 1 9 9 ALA H H 9 8.200 8.200 8.050 0.149 18269
985 1 3 . 1 1 10 10 ASP N N 10 119.834 119.834 118.067 1.767 18269
986 1 3 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.651 0.006 18269
987 1 3 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.498 0.042 18269
988 1 3 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.594 -0.088 18269
989 1 3 . 1 1 10 10 ASP H H 10 8.290 8.290 8.380 -0.090 18269
990 1 3 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.470 0.160 18269
991 1 3 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.631 -4.873 18269
992 1 3 . 1 1 11 11 CYS CB C 11 40.460 40.460 28.315 12.145 18269
993 1 3 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.481 -0.517 18269
994 1 3 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.302 4.075 18269
995 1 3 . 1 1 12 12 GLU CB C 12 31.255 31.255 31.278 -0.023 18269
996 1 3 . 1 1 13 13 VAL N N 13 117.224 117.224 121.107 -3.883 18269
997 1 3 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.480 0.266 18269
998 1 3 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.368 -2.322 18269
999 1 3 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.561 -0.343 18269
1000 1 3 . 1 1 13 13 VAL H H 13 7.040 7.040 7.851 -0.811 18269
1001 1 3 . 1 1 14 14 CYS HA H 14 4.085 4.085 3.995 0.090 18269
1002 1 3 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.898 -1.453 18269
1003 1 3 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.560 15.659 18269
1004 1 3 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.900 0.159 18269
1005 1 3 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.055 -2.484 18269
1006 1 3 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.124 0.126 18269
1007 1 3 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.154 0.177 18269
1008 1 3 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.422 -0.248 18269
1009 1 3 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.496 -0.090 18269
1010 1 3 . 1 1 16 16 GLU H H 16 8.098 8.098 8.789 -0.691 18269
1011 1 3 . 1 1 17 17 PHE N N 17 120.745 120.745 121.846 -1.101 18269
1012 1 3 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.344 -0.029 18269
1013 1 3 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.745 0.769 18269
1014 1 3 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.155 1.358 18269
1015 1 3 . 1 1 17 17 PHE H H 17 9.126 9.126 8.641 0.485 18269
1016 1 3 . 1 1 18 18 LEU N N 18 115.787 115.787 119.150 -3.363 18269
1017 1 3 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.579 0.564 18269
1018 1 3 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.244 -0.367 18269
1019 1 3 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.424 -0.472 18269
1020 1 3 . 1 1 18 18 LEU H H 18 8.505 8.505 8.054 0.451 18269
1021 1 3 . 1 1 19 19 ASN N N 19 117.635 117.635 116.988 0.647 18269
1022 1 3 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.503 0.373 18269
1023 1 3 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.834 -0.360 18269
1024 1 3 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.828 -0.500 18269
1025 1 3 . 1 1 19 19 ASN H H 19 8.405 8.405 8.073 0.332 18269
1026 1 3 . 1 1 20 20 ARG N N 20 122.851 122.851 119.411 3.440 18269
1027 1 3 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.077 0.040 18269
1028 1 3 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.273 1.016 18269
1029 1 3 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.227 0.228 18269
1030 1 3 . 1 1 20 20 ARG H H 20 8.325 8.325 8.415 -0.090 18269
1031 1 3 . 1 1 21 21 PHE N N 21 121.774 121.774 121.542 0.232 18269
1032 1 3 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.310 -0.030 18269
1033 1 3 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.878 -1.867 18269
1034 1 3 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.212 -0.201 18269
1035 1 3 . 1 1 21 21 PHE H H 21 8.438 8.438 8.486 -0.048 18269
1036 1 3 . 1 1 22 22 TYR N N 22 119.937 119.937 120.570 -0.633 18269
1037 1 3 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.837 -0.048 18269
1038 1 3 . 1 1 22 22 TYR CA C 22 61.652 61.652 59.903 1.750 18269
1039 1 3 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.173 0.101 18269
1040 1 3 . 1 1 22 22 TYR H H 22 8.708 8.708 8.168 0.540 18269
1041 1 3 . 1 1 23 23 LYS N N 23 116.431 116.431 117.631 -1.200 18269
1042 1 3 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.974 -0.115 18269
1043 1 3 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.346 0.798 18269
1044 1 3 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.311 0.906 18269
1045 1 3 . 1 1 23 23 LYS H H 23 7.928 7.928 7.861 0.067 18269
1046 1 3 . 1 1 24 24 SER N N 24 113.888 113.888 117.574 -3.686 18269
1047 1 3 . 1 1 24 24 SER HA H 24 4.325 4.325 4.218 0.107 18269
1048 1 3 . 1 1 24 24 SER CA C 24 61.016 61.016 62.170 -1.154 18269
1049 1 3 . 1 1 24 24 SER CB C 24 62.837 62.837 62.831 0.007 18269
1050 1 3 . 1 1 24 24 SER H H 24 7.665 7.665 7.806 -0.141 18269
1051 1 3 . 1 1 25 25 LEU N N 25 119.663 119.663 121.101 -1.438 18269
1052 1 3 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.105 -0.426 18269
1053 1 3 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.672 -0.167 18269
1054 1 3 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.311 0.591 18269
1055 1 3 . 1 1 25 25 LEU H H 25 7.573 7.573 7.571 0.002 18269
1056 1 3 . 1 1 26 26 ILE N N 26 119.781 119.781 119.170 0.611 18269
1057 1 3 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.785 0.071 18269
1058 1 3 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.181 0.368 18269
1059 1 3 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.776 0.529 18269
1060 1 3 . 1 1 26 26 ILE H H 26 8.094 8.094 7.094 1.000 18269
1061 1 3 . 1 1 27 27 ASP N N 27 122.421 122.421 120.335 2.086 18269
1062 1 3 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.354 0.022 18269
1063 1 3 . 1 1 27 27 ASP CA C 27 57.020 57.020 57.194 -0.174 18269
1064 1 3 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.876 -0.796 18269
1065 1 3 . 1 1 27 27 ASP H H 27 9.091 9.091 8.452 0.639 18269
1066 1 3 . 1 1 28 28 ARG N N 28 115.349 115.349 116.510 -1.161 18269
1067 1 3 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.245 0.060 18269
1068 1 3 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.409 0.089 18269
1069 1 3 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.844 0.769 18269
1070 1 3 . 1 1 28 28 ARG H H 28 7.587 7.587 8.245 -0.658 18269
1071 1 3 . 1 1 29 29 GLY N N 29 109.999 109.999 108.421 1.578 18269
1072 1 3 . 1 1 29 29 GLY CA C 29 46.661 46.661 46.079 0.582 18269
1073 1 3 . 1 1 29 29 GLY H H 29 7.909 7.909 7.543 0.366 18269
1074 1 3 . 1 1 30 30 VAL N N 30 118.740 118.740 113.724 5.016 18269
1075 1 3 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.205 -0.446 18269
1076 1 3 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.483 0.987 18269
1077 1 3 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.228 0.098 18269
1078 1 3 . 1 1 30 30 VAL H H 30 7.701 7.701 7.517 0.184 18269
1079 1 3 . 1 1 31 31 ASN N N 31 123.250 123.250 118.211 5.039 18269
1080 1 3 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.618 0.095 18269
1081 1 3 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.264 0.224 18269
1082 1 3 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.322 -0.111 18269
1083 1 3 . 1 1 31 31 ASN H H 31 8.498 8.498 7.355 1.143 18269
1084 1 3 . 1 1 32 32 PHE N N 32 126.076 126.076 114.507 11.569 18269
1085 1 3 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.318 -0.180 18269
1086 1 3 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.285 -1.638 18269
1087 1 3 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.491 -1.712 18269
1088 1 3 . 1 1 32 32 PHE H H 32 8.783 8.783 9.126 -0.343 18269
1089 1 3 . 1 1 33 33 SER N N 33 115.958 115.958 117.393 -1.435 18269
1090 1 3 . 1 1 33 33 SER HA H 33 4.736 4.736 4.738 -0.002 18269
1091 1 3 . 1 1 33 33 SER CA C 33 56.745 56.745 57.085 -0.340 18269
1092 1 3 . 1 1 33 33 SER CB C 33 64.899 64.899 63.773 1.126 18269
1093 1 3 . 1 1 33 33 SER H H 33 7.699 7.699 7.690 0.009 18269
1094 1 3 . 1 1 34 34 LEU N N 34 124.359 124.359 128.430 -4.071 18269
1095 1 3 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.055 -0.202 18269
1096 1 3 . 1 1 34 34 LEU CA C 34 59.671 59.671 57.864 1.806 18269
1097 1 3 . 1 1 34 34 LEU CB C 34 41.546 41.546 42.248 -0.702 18269
1098 1 3 . 1 1 34 34 LEU H H 34 8.935 8.935 8.583 0.352 18269
1099 1 3 . 1 1 35 35 ASP N N 35 115.345 115.345 117.245 -1.900 18269
1100 1 3 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.389 -0.011 18269
1101 1 3 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.869 -1.011 18269
1102 1 3 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.418 -0.258 18269
1103 1 3 . 1 1 35 35 ASP H H 35 8.575 8.575 8.597 -0.022 18269
1104 1 3 . 1 1 36 36 THR N N 36 116.789 116.789 115.161 1.628 18269
1105 1 3 . 1 1 36 36 THR HA H 36 4.015 4.015 4.050 -0.035 18269
1106 1 3 . 1 1 36 36 THR CA C 36 66.069 66.069 66.394 -0.325 18269
1107 1 3 . 1 1 36 36 THR CB C 36 68.780 68.780 68.729 0.051 18269
1108 1 3 . 1 1 36 36 THR H H 36 7.593 7.593 7.877 -0.284 18269
1109 1 3 . 1 1 37 37 ILE N N 37 120.685 120.685 121.364 -0.679 18269
1110 1 3 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.746 -0.377 18269
1111 1 3 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.716 0.084 18269
1112 1 3 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.346 -0.255 18269
1113 1 3 . 1 1 37 37 ILE H H 37 8.436 8.436 8.433 0.003 18269
1114 1 3 . 1 1 38 38 GLU N N 38 118.792 118.792 120.814 -2.022 18269
1115 1 3 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.938 -0.260 18269
1116 1 3 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.913 1.147 18269
1117 1 3 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.520 0.351 18269
1118 1 3 . 1 1 38 38 GLU H H 38 8.122 8.122 7.764 0.358 18269
1119 1 3 . 1 1 39 39 LYS N N 39 116.986 116.986 118.906 -1.920 18269
1120 1 3 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.097 -0.136 18269
1121 1 3 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.791 0.955 18269
1122 1 3 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.876 0.434 18269
1123 1 3 . 1 1 39 39 LYS H H 39 7.586 7.586 7.649 -0.063 18269
1124 1 3 . 1 1 40 40 GLU N N 40 117.892 117.892 120.303 -2.411 18269
1125 1 3 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.303 -0.098 18269
1126 1 3 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.129 -0.770 18269
1127 1 3 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.558 -0.979 18269
1128 1 3 . 1 1 40 40 GLU H H 40 8.690 8.690 8.603 0.087 18269
1129 1 3 . 1 1 41 41 LEU N N 41 125.830 125.830 121.462 4.368 18269
1130 1 3 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.781 -0.234 18269
1131 1 3 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.418 -0.590 18269
1132 1 3 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.700 -1.362 18269
1133 1 3 . 1 1 41 41 LEU H H 41 8.978 8.978 8.457 0.521 18269
1134 1 3 . 1 1 42 42 ILE N N 42 119.900 119.900 119.529 0.371 18269
1135 1 3 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.707 -0.123 18269
1136 1 3 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.504 1.328 18269
1137 1 3 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.676 0.114 18269
1138 1 3 . 1 1 42 42 ILE H H 42 7.884 7.884 7.961 -0.077 18269
1139 1 3 . 1 1 43 43 SER N N 43 114.071 114.071 116.382 -2.311 18269
1140 1 3 . 1 1 43 43 SER HA H 43 4.277 4.277 4.173 0.104 18269
1141 1 3 . 1 1 43 43 SER CA C 43 61.598 61.598 62.654 -1.056 18269
1142 1 3 . 1 1 43 43 SER CB C 43 62.767 62.767 63.232 -0.465 18269
1143 1 3 . 1 1 43 43 SER H H 43 7.791 7.791 8.329 -0.538 18269
1144 1 3 . 1 1 44 44 PHE N N 44 125.036 125.036 123.891 1.145 18269
1145 1 3 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.398 -0.069 18269
1146 1 3 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.133 -0.876 18269
1147 1 3 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.437 1.194 18269
1148 1 3 . 1 1 44 44 PHE H H 44 9.060 9.060 8.895 0.165 18269
1149 1 3 . 1 1 45 45 CYS N N 45 112.824 112.824 118.341 -5.517 18269
1150 1 3 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.360 0.246 18269
1151 1 3 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.844 -3.608 18269
1152 1 3 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.473 17.150 18269
1153 1 3 . 1 1 45 45 CYS H H 45 8.254 8.254 8.925 -0.671 18269
1154 1 3 . 1 1 46 46 LEU N N 46 123.875 123.875 120.389 3.486 18269
1155 1 3 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.306 -0.131 18269
1156 1 3 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.327 0.824 18269
1157 1 3 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.601 -0.349 18269
1158 1 3 . 1 1 46 46 LEU H H 46 7.776 7.776 7.858 -0.082 18269
1159 1 3 . 1 1 47 47 ASP N N 47 116.880 116.880 119.220 -2.340 18269
1160 1 3 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.661 0.249 18269
1161 1 3 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.840 -1.255 18269
1162 1 3 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.576 0.799 18269
1163 1 3 . 1 1 47 47 ASP H H 47 7.852 7.852 8.381 -0.529 18269
1164 1 3 . 1 1 48 48 THR N N 48 108.053 108.053 113.270 -5.217 18269
1165 1 3 . 1 1 48 48 THR HA H 48 4.461 4.461 4.440 0.021 18269
1166 1 3 . 1 1 48 48 THR CA C 48 60.844 60.844 60.640 0.204 18269
1167 1 3 . 1 1 48 48 THR CB C 48 73.395 73.395 71.356 2.039 18269
1168 1 3 . 1 1 48 48 THR H H 48 7.139 7.139 8.015 -0.876 18269
1169 1 3 . 1 1 49 49 LYS N N 49 118.308 118.308 118.745 -0.437 18269
1170 1 3 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.684 0.034 18269
1171 1 3 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.709 -0.665 18269
1172 1 3 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.606 2.964 18269
1173 1 3 . 1 1 49 49 LYS H H 49 8.755 8.755 8.293 0.462 18269
1174 1 3 . 1 1 50 50 GLY N N 50 108.996 108.996 110.006 -1.010 18269
1175 1 3 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.598 -0.755 18269
1176 1 3 . 1 1 50 50 GLY H H 50 8.866 8.866 8.786 0.080 18269
1177 1 3 . 1 1 51 51 LYS N N 51 126.155 126.155 121.814 4.341 18269
1178 1 3 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.001 -0.031 18269
1179 1 3 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.663 -1.553 18269
1180 1 3 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.938 0.681 18269
1181 1 3 . 1 1 51 51 LYS H H 51 9.254 9.254 8.701 0.553 18269
1182 1 3 . 1 1 52 52 GLU N N 52 116.496 116.496 119.089 -2.593 18269
1183 1 3 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.059 -0.536 18269
1184 1 3 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.607 -0.217 18269
1185 1 3 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.737 -1.051 18269
1186 1 3 . 1 1 52 52 GLU H H 52 8.223 8.223 8.029 0.194 18269
1187 1 3 . 1 1 53 53 ASN N N 53 119.000 119.000 118.955 0.045 18269
1188 1 3 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.784 -0.400 18269
1189 1 3 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.782 1.196 18269
1190 1 3 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.669 0.777 18269
1191 1 3 . 1 1 53 53 ASN H H 53 6.840 6.840 8.627 -1.787 18269
1192 1 3 . 1 1 54 54 ARG N N 54 118.480 118.480 119.528 -1.048 18269
1193 1 3 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.422 -0.653 18269
1194 1 3 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.157 -0.760 18269
1195 1 3 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.211 -1.471 18269
1196 1 3 . 1 1 54 54 ARG H H 54 7.456 7.456 8.255 -0.799 18269
1197 1 3 . 1 1 55 55 LEU N N 55 118.688 118.688 121.843 -3.155 18269
1198 1 3 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.150 -0.342 18269
1199 1 3 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.290 0.169 18269
1200 1 3 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.907 -1.787 18269
1201 1 3 . 1 1 55 55 LEU H H 55 7.843 7.843 8.170 -0.327 18269
1202 1 3 . 1 1 56 56 CYS N N 56 115.905 115.905 116.072 -0.167 18269
1203 1 3 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.939 -0.066 18269
1204 1 3 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.707 1.330 18269
1205 1 3 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.558 17.347 18269
1206 1 3 . 1 1 56 56 CYS H H 56 7.752 7.752 7.779 -0.027 18269
1207 1 3 . 1 1 57 57 TYR N N 57 121.810 121.810 119.224 2.586 18269
1208 1 3 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.125 0.018 18269
1209 1 3 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.217 0.098 18269
1210 1 3 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.708 -0.654 18269
1211 1 3 . 1 1 57 57 TYR H H 57 7.911 7.911 7.905 0.006 18269
1212 1 3 . 1 1 58 58 TYR N N 58 121.916 121.916 117.031 4.885 18269
1213 1 3 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.364 0.011 18269
1214 1 3 . 1 1 58 58 TYR CA C 58 59.009 59.009 61.063 -2.054 18269
1215 1 3 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.647 -0.623 18269
1216 1 3 . 1 1 58 58 TYR H H 58 8.334 8.334 7.903 0.431 18269
1217 1 3 . 1 1 59 59 LEU N N 59 114.461 114.461 116.148 -1.687 18269
1218 1 3 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.022 0.098 18269
1219 1 3 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.963 -0.734 18269
1220 1 3 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.355 -0.310 18269
1221 1 3 . 1 1 59 59 LEU H H 59 8.079 8.079 7.888 0.191 18269
1222 1 3 . 1 1 60 60 GLY N N 60 102.559 102.559 104.243 -1.684 18269
1223 1 3 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.325 0.247 18269
1224 1 3 . 1 1 60 60 GLY H H 60 7.562 7.562 7.938 -0.376 18269
1225 1 3 . 1 1 61 61 ALA N N 61 120.327 120.327 126.463 -6.136 18269
1226 1 3 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.394 0.007 18269
1227 1 3 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.574 -0.309 18269
1228 1 3 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.078 2.259 18269
1229 1 3 . 1 1 61 61 ALA H H 61 7.995 7.995 7.518 0.477 18269
1230 1 3 . 1 1 62 62 THR N N 62 106.895 106.895 117.573 -10.678 18269
1231 1 3 . 1 1 62 62 THR HA H 62 4.518 4.518 4.391 0.127 18269
1232 1 3 . 1 1 62 62 THR CA C 62 59.982 59.982 60.890 -0.908 18269
1233 1 3 . 1 1 62 62 THR CB C 62 70.540 70.540 71.734 -1.194 18269
1234 1 3 . 1 1 62 62 THR H H 62 7.156 7.156 7.659 -0.503 18269
1235 1 3 . 1 1 63 63 LYS N N 63 121.251 121.251 120.361 0.890 18269
1236 1 3 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.122 -0.025 18269
1237 1 3 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.510 -0.238 18269
1238 1 3 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.581 -0.426 18269
1239 1 3 . 1 1 63 63 LYS H H 63 8.626 8.626 8.496 0.130 18269
1240 1 3 . 1 1 64 64 ASP N N 64 116.607 116.607 118.504 -1.897 18269
1241 1 3 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.711 -0.154 18269
1242 1 3 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.748 0.154 18269
1243 1 3 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.119 -2.013 18269
1244 1 3 . 1 1 64 64 ASP H H 64 8.441 8.441 7.743 0.698 18269
1245 1 3 . 1 1 65 65 ALA N N 65 122.486 122.486 120.527 1.959 18269
1246 1 3 . 1 1 65 65 ALA HA H 65 4.085 4.085 3.976 0.109 18269
1247 1 3 . 1 1 65 65 ALA CA C 65 52.549 52.549 52.848 -0.299 18269
1248 1 3 . 1 1 65 65 ALA CB C 65 19.557 19.557 18.349 1.208 18269
1249 1 3 . 1 1 65 65 ALA H H 65 7.368 7.368 8.267 -0.899 18269
1250 1 3 . 1 1 66 66 ALA N N 66 124.171 124.171 122.708 1.463 18269
1251 1 3 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.518 -0.074 18269
1252 1 3 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.311 1.160 18269
1253 1 3 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.530 -0.265 18269
1254 1 3 . 1 1 66 66 ALA H H 66 8.300 8.300 8.499 -0.199 18269
1255 1 3 . 1 1 67 67 THR N N 67 111.638 111.638 115.413 -3.775 18269
1256 1 3 . 1 1 67 67 THR HA H 67 4.496 4.496 4.194 0.302 18269
1257 1 3 . 1 1 67 67 THR CA C 67 60.881 60.881 63.539 -2.658 18269
1258 1 3 . 1 1 67 67 THR CB C 67 70.199 70.199 69.234 0.965 18269
1259 1 3 . 1 1 67 67 THR H H 67 7.730 7.730 8.538 -0.808 18269
1260 1 3 . 1 1 68 68 LYS N N 68 121.732 121.732 122.027 -0.295 18269
1261 1 3 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.212 0.324 18269
1262 1 3 . 1 1 68 68 LYS CA C 68 56.562 56.562 57.696 -1.134 18269
1263 1 3 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.839 1.260 18269
1264 1 3 . 1 1 68 68 LYS H H 68 8.502 8.502 8.183 0.319 18269
1265 1 3 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.834 0.505 18269
1266 1 3 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.565 -1.859 18269
1267 1 3 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.602 0.198 18269
1268 1 3 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.980 0.151 18269
1269 1 3 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.102 0.513 18269
1270 1 3 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.642 0.096 18269
1271 1 3 . 1 1 71 71 SER HA H 71 4.817 4.817 4.260 0.557 18269
1272 1 3 . 1 1 71 71 SER CA C 71 60.667 60.667 60.961 -0.294 18269
1273 1 3 . 1 1 71 71 SER CB C 71 62.646 62.646 62.335 0.311 18269
1274 1 3 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.162 0.102 18269
1275 1 3 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.115 -2.486 18269
1276 1 3 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.278 -1.031 18269
1277 1 3 . 1 1 73 73 VAL N N 73 114.786 114.786 119.688 -4.902 18269
1278 1 3 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.698 0.404 18269
1279 1 3 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.240 -2.499 18269
1280 1 3 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.851 2.414 18269
1281 1 3 . 1 1 73 73 VAL H H 73 7.812 7.812 7.896 -0.084 18269
1282 1 3 . 1 1 74 74 THR HA H 74 3.767 3.767 3.908 -0.141 18269
1283 1 3 . 1 1 74 74 THR CA C 74 65.584 65.584 65.647 -0.063 18269
1284 1 3 . 1 1 74 74 THR CB C 74 67.470 67.470 68.647 -1.177 18269
1285 1 3 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.226 0.020 18269
1286 1 3 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.226 1.157 18269
1287 1 3 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.830 0.790 18269
1288 1 3 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.365 0.120 18269
1289 1 3 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.166 0.531 18269
1290 1 3 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.430 -0.535 18269
1291 1 3 . 1 1 77 77 MET N N 77 117.583 117.583 115.027 2.556 18269
1292 1 3 . 1 1 77 77 MET HA H 77 4.684 4.684 4.107 0.577 18269
1293 1 3 . 1 1 77 77 MET CA C 77 59.347 59.347 55.917 3.430 18269
1294 1 3 . 1 1 77 77 MET CB C 77 32.996 32.996 30.920 2.076 18269
1295 1 3 . 1 1 77 77 MET H H 77 7.685 7.685 7.864 -0.179 18269
1296 1 3 . 1 1 78 78 SER N N 78 114.578 114.578 113.884 0.694 18269
1297 1 3 . 1 1 78 78 SER HA H 78 4.226 4.226 4.441 -0.215 18269
1298 1 3 . 1 1 78 78 SER CA C 78 61.922 61.922 60.048 1.874 18269
1299 1 3 . 1 1 78 78 SER CB C 78 62.406 62.406 64.013 -1.607 18269
1300 1 3 . 1 1 78 78 SER H H 78 8.285 8.285 7.725 0.560 18269
1301 1 3 . 1 1 79 79 VAL N N 79 111.248 111.248 114.993 -3.745 18269
1302 1 3 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.574 0.177 18269
1303 1 3 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.049 0.077 18269
1304 1 3 . 1 1 79 79 VAL CB C 79 30.346 30.346 33.446 -3.100 18269
1305 1 3 . 1 1 79 79 VAL H H 79 7.004 7.004 7.342 -0.338 18269
1306 1 3 . 1 1 80 80 HIS N N 80 116.703 116.703 121.683 -4.980 18269
1307 1 3 . 1 1 80 80 HIS HA H 80 4.116 4.116 5.620 -1.504 18269
1308 1 3 . 1 1 80 80 HIS CA C 80 56.826 56.826 55.693 1.133 18269
1309 1 3 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.277 -3.388 18269
1310 1 3 . 1 1 80 80 HIS H H 80 8.289 8.289 8.724 -0.435 18269
1311 1 3 . 1 1 81 81 MET N N 81 120.978 120.978 125.527 -4.549 18269
1312 1 3 . 1 1 81 81 MET HA H 81 4.512 4.512 4.848 -0.336 18269
1313 1 3 . 1 1 81 81 MET CA C 81 55.007 55.007 52.365 2.642 18269
1314 1 3 . 1 1 81 81 MET CB C 81 33.265 33.265 34.716 -1.451 18269
1315 1 3 . 1 1 81 81 MET H H 81 8.006 8.006 8.102 -0.096 18269
1316 1 3 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.141 0.200 18269
1317 1 3 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.421 -1.185 18269
1318 1 3 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.457 2.206 18269
1319 1 3 . 1 1 83 83 ALA N N 83 126.545 126.545 120.948 5.597 18269
1320 1 3 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.846 0.100 18269
1321 1 3 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.031 0.942 18269
1322 1 3 . 1 1 83 83 ALA CB C 83 19.475 19.475 17.963 1.512 18269
1323 1 3 . 1 1 83 83 ALA H H 83 9.196 9.196 8.165 1.031 18269
1324 1 3 . 1 1 84 84 MET N N 84 114.734 114.734 115.669 -0.935 18269
1325 1 3 . 1 1 84 84 MET HA H 84 4.024 4.024 4.606 -0.582 18269
1326 1 3 . 1 1 84 84 MET CA C 84 58.812 58.812 58.105 0.707 18269
1327 1 3 . 1 1 84 84 MET CB C 84 32.242 32.242 31.901 0.341 18269
1328 1 3 . 1 1 84 84 MET H H 84 9.289 9.289 7.966 1.323 18269
1329 1 3 . 1 1 85 85 LYS N N 85 116.490 116.490 119.674 -3.184 18269
1330 1 3 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.141 0.033 18269
1331 1 3 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.751 -0.635 18269
1332 1 3 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.855 -0.062 18269
1333 1 3 . 1 1 85 85 LYS H H 85 6.997 6.997 8.219 -1.222 18269
1334 1 3 . 1 1 86 86 ILE N N 86 120.561 120.561 119.999 0.562 18269
1335 1 3 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.723 -0.108 18269
1336 1 3 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.606 1.673 18269
1337 1 3 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.630 -0.110 18269
1338 1 3 . 1 1 86 86 ILE H H 86 7.875 7.875 7.700 0.175 18269
1339 1 3 . 1 1 87 87 CYS N N 87 117.323 117.323 119.980 -2.657 18269
1340 1 3 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.122 -0.046 18269
1341 1 3 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.471 -1.411 18269
1342 1 3 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.822 16.911 18269
1343 1 3 . 1 1 87 87 CYS H H 87 8.643 8.643 7.833 0.810 18269
1344 1 3 . 1 1 88 88 GLU N N 88 118.070 118.070 119.386 -1.316 18269
1345 1 3 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.092 -0.144 18269
1346 1 3 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.848 0.915 18269
1347 1 3 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.022 0.742 18269
1348 1 3 . 1 1 88 88 GLU H H 88 8.045 8.045 7.848 0.197 18269
1349 1 3 . 1 1 89 89 LYS N N 89 119.719 119.719 118.707 1.012 18269
1350 1 3 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.174 -0.036 18269
1351 1 3 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.708 0.422 18269
1352 1 3 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.760 -1.057 18269
1353 1 3 . 1 1 89 89 LYS H H 89 7.530 7.530 7.619 -0.089 18269
1354 1 3 . 1 1 90 90 LEU N N 90 119.550 119.550 120.545 -0.995 18269
1355 1 3 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.029 -0.064 18269
1356 1 3 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.396 -0.053 18269
1357 1 3 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.445 -0.454 18269
1358 1 3 . 1 1 90 90 LEU H H 90 8.422 8.422 8.307 0.115 18269
1359 1 3 . 1 1 91 91 LYS N N 91 119.180 119.180 119.458 -0.278 18269
1360 1 3 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.231 -0.369 18269
1361 1 3 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.352 -0.747 18269
1362 1 3 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.921 0.556 18269
1363 1 3 . 1 1 91 91 LYS H H 91 8.218 8.218 7.898 0.320 18269
1364 1 3 . 1 1 92 92 LYS N N 92 113.632 113.632 118.342 -4.710 18269
1365 1 3 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.139 -0.086 18269
1366 1 3 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.724 -1.166 18269
1367 1 3 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.308 -0.374 18269
1368 1 3 . 1 1 92 92 LYS H H 92 6.984 6.984 7.429 -0.445 18269
1369 1 3 . 1 1 93 93 LEU N N 93 119.104 119.104 118.948 0.156 18269
1370 1 3 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.318 -0.028 18269
1371 1 3 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.373 -0.269 18269
1372 1 3 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.329 -1.227 18269
1373 1 3 . 1 1 93 93 LEU H H 93 7.456 7.456 7.588 -0.132 18269
1374 1 3 . 1 1 94 94 ASP N N 94 116.790 116.790 118.880 -2.090 18269
1375 1 3 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.765 -0.209 18269
1376 1 3 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.505 0.861 18269
1377 1 3 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.375 -1.202 18269
1378 1 3 . 1 1 94 94 ASP H H 94 7.911 7.911 8.408 -0.497 18269
1379 1 3 . 1 1 95 95 SER N N 95 122.399 122.399 121.175 1.224 18269
1380 1 3 . 1 1 95 95 SER HA H 95 4.186 4.186 4.371 -0.185 18269
1381 1 3 . 1 1 95 95 SER CA C 95 61.472 61.472 60.154 1.317 18269
1382 1 3 . 1 1 95 95 SER CB C 95 62.568 62.568 63.343 -0.775 18269
1383 1 3 . 1 1 95 95 SER H H 95 8.894 8.894 8.818 0.076 18269
1384 1 3 . 1 1 96 96 GLN N N 96 120.800 120.800 121.975 -1.175 18269
1385 1 3 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.989 -0.127 18269
1386 1 3 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.153 -0.001 18269
1387 1 3 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.023 0.394 18269
1388 1 3 . 1 1 96 96 GLN H H 96 8.610 8.610 7.708 0.902 18269
1389 1 3 . 1 1 97 97 ILE N N 97 117.387 117.387 118.720 -1.333 18269
1390 1 3 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.276 0.123 18269
1391 1 3 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.604 1.227 18269
1392 1 3 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.660 0.614 18269
1393 1 3 . 1 1 97 97 ILE H H 97 7.470 7.470 8.345 -0.875 18269
1394 1 3 . 1 1 98 98 CYS N N 98 113.485 113.485 118.681 -5.196 18269
1395 1 3 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.191 0.880 18269
1396 1 3 . 1 1 98 98 CYS CA C 98 61.973 61.973 61.137 0.836 18269
1397 1 3 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.429 22.157 18269
1398 1 3 . 1 1 98 98 CYS H H 98 7.410 7.410 7.456 -0.046 18269
1399 1 3 . 1 1 99 99 GLU N N 99 119.123 119.123 117.660 1.463 18269
1400 1 3 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.278 0.045 18269
1401 1 3 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.959 0.767 18269
1402 1 3 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.672 1.307 18269
1403 1 3 . 1 1 99 99 GLU H H 99 7.308 7.308 7.874 -0.566 18269
1404 1 3 . 1 1 100 100 LEU N N 100 115.771 115.771 122.350 -6.579 18269
1405 1 3 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.149 0.148 18269
1406 1 3 . 1 1 100 100 LEU CA C 100 55.682 55.682 54.712 0.970 18269
1407 1 3 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.435 1.526 18269
1408 1 3 . 1 1 100 100 LEU H H 100 6.496 6.496 7.212 -0.716 18269
1409 1 3 . 1 1 101 101 LYS N N 101 125.672 125.672 123.210 2.462 18269
1410 1 3 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.498 0.096 18269
1411 1 3 . 1 1 101 101 LYS CA C 101 55.350 55.350 54.469 0.881 18269
1412 1 3 . 1 1 101 101 LYS CB C 101 35.723 35.723 34.808 0.915 18269
1413 1 3 . 1 1 101 101 LYS H H 101 8.575 8.575 8.007 0.568 18269
1414 1 3 . 1 1 102 102 TYR N N 102 120.395 120.395 122.921 -2.526 18269
1415 1 3 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.379 0.003 18269
1416 1 3 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.765 1.259 18269
1417 1 3 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.513 -0.185 18269
1418 1 3 . 1 1 102 102 TYR H H 102 8.756 8.756 9.516 -0.760 18269
1419 1 3 . 1 1 103 103 GLU N N 103 121.550 121.550 119.979 1.571 18269
1420 1 3 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.148 0.244 18269
1421 1 3 . 1 1 103 103 GLU CA C 103 56.327 56.327 59.020 -2.693 18269
1422 1 3 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.706 0.596 18269
1423 1 3 . 1 1 103 103 GLU H H 103 8.835 8.835 8.783 0.052 18269
1424 1 3 . 1 1 104 104 LYS N N 104 122.957 122.957 115.831 7.126 18269
1425 1 3 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.401 0.060 18269
1426 1 3 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.750 -0.476 18269
1427 1 3 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.980 0.067 18269
1428 1 3 . 1 1 104 104 LYS H H 104 8.490 8.490 8.027 0.463 18269
1429 1 4 . 1 1 2 2 GLU N N 2 121.590 121.590 120.768 0.822 18269
1430 1 4 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.090 0.204 18269
1431 1 4 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.818 -0.301 18269
1432 1 4 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.709 1.442 18269
1433 1 4 . 1 1 2 2 GLU H H 2 8.621 8.621 8.618 0.003 18269
1434 1 4 . 1 1 3 3 ALA N N 3 125.815 125.815 124.373 1.442 18269
1435 1 4 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.210 0.156 18269
1436 1 4 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.537 0.120 18269
1437 1 4 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.837 0.110 18269
1438 1 4 . 1 1 3 3 ALA H H 3 8.598 8.598 8.580 0.018 18269
1439 1 4 . 1 1 4 4 GLY N N 4 108.386 108.386 107.541 0.845 18269
1440 1 4 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.328 -0.191 18269
1441 1 4 . 1 1 4 4 GLY H H 4 8.487 8.487 8.249 0.238 18269
1442 1 4 . 1 1 5 5 GLY N N 5 108.367 108.367 108.954 -0.587 18269
1443 1 4 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.245 0.509 18269
1444 1 4 . 1 1 5 5 GLY H H 5 8.274 8.274 7.860 0.414 18269
1445 1 4 . 1 1 6 6 ARG N N 6 121.577 121.577 117.260 4.317 18269
1446 1 4 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.318 0.357 18269
1447 1 4 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.199 -1.318 18269
1448 1 4 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.350 2.785 18269
1449 1 4 . 1 1 6 6 ARG H H 6 8.297 8.297 8.008 0.289 18269
1450 1 4 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.655 -0.164 18269
1451 1 4 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.940 1.413 18269
1452 1 4 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.098 0.949 18269
1453 1 4 . 1 1 8 8 GLY N N 8 109.658 109.658 106.799 2.859 18269
1454 1 4 . 1 1 8 8 GLY CA C 8 45.088 45.088 44.686 0.402 18269
1455 1 4 . 1 1 8 8 GLY H H 8 8.660 8.660 7.874 0.786 18269
1456 1 4 . 1 1 9 9 ALA N N 9 123.995 123.995 121.515 2.480 18269
1457 1 4 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.383 0.057 18269
1458 1 4 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.583 -0.786 18269
1459 1 4 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.231 0.048 18269
1460 1 4 . 1 1 9 9 ALA H H 9 8.200 8.200 7.416 0.784 18269
1461 1 4 . 1 1 10 10 ASP N N 10 119.834 119.834 119.221 0.613 18269
1462 1 4 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.679 -0.022 18269
1463 1 4 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.222 -0.682 18269
1464 1 4 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.725 -0.219 18269
1465 1 4 . 1 1 10 10 ASP H H 10 8.290 8.290 8.649 -0.359 18269
1466 1 4 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.248 0.382 18269
1467 1 4 . 1 1 11 11 CYS CA C 11 54.758 54.758 61.618 -6.860 18269
1468 1 4 . 1 1 11 11 CYS CB C 11 40.460 40.460 26.811 13.649 18269
1469 1 4 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.268 -0.304 18269
1470 1 4 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.361 4.016 18269
1471 1 4 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.556 1.698 18269
1472 1 4 . 1 1 13 13 VAL N N 13 117.224 117.224 121.889 -4.665 18269
1473 1 4 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.675 0.071 18269
1474 1 4 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.247 -2.201 18269
1475 1 4 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.795 -0.577 18269
1476 1 4 . 1 1 13 13 VAL H H 13 7.040 7.040 8.359 -1.319 18269
1477 1 4 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.216 -0.131 18269
1478 1 4 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.120 0.325 18269
1479 1 4 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.745 15.473 18269
1480 1 4 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.220 -0.161 18269
1481 1 4 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.263 -1.692 18269
1482 1 4 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.288 -0.039 18269
1483 1 4 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.136 0.195 18269
1484 1 4 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.746 -0.572 18269
1485 1 4 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.386 0.020 18269
1486 1 4 . 1 1 16 16 GLU H H 16 8.098 8.098 7.990 0.108 18269
1487 1 4 . 1 1 17 17 PHE N N 17 120.745 120.745 121.411 -0.666 18269
1488 1 4 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.433 -0.118 18269
1489 1 4 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.991 0.523 18269
1490 1 4 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.353 1.160 18269
1491 1 4 . 1 1 17 17 PHE H H 17 9.126 9.126 8.090 1.036 18269
1492 1 4 . 1 1 18 18 LEU N N 18 115.787 115.787 119.387 -3.600 18269
1493 1 4 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.910 0.233 18269
1494 1 4 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.516 -0.639 18269
1495 1 4 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.481 -0.529 18269
1496 1 4 . 1 1 18 18 LEU H H 18 8.505 8.505 8.825 -0.320 18269
1497 1 4 . 1 1 19 19 ASN N N 19 117.635 117.635 117.019 0.616 18269
1498 1 4 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.350 0.526 18269
1499 1 4 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.707 -0.233 18269
1500 1 4 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.797 -0.469 18269
1501 1 4 . 1 1 19 19 ASN H H 19 8.405 8.405 8.471 -0.066 18269
1502 1 4 . 1 1 20 20 ARG N N 20 122.851 122.851 119.747 3.104 18269
1503 1 4 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.034 0.083 18269
1504 1 4 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.464 0.825 18269
1505 1 4 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.239 0.215 18269
1506 1 4 . 1 1 20 20 ARG H H 20 8.325 8.325 7.760 0.566 18269
1507 1 4 . 1 1 21 21 PHE N N 21 121.774 121.774 121.613 0.161 18269
1508 1 4 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.125 0.155 18269
1509 1 4 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.301 -1.290 18269
1510 1 4 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.277 -0.266 18269
1511 1 4 . 1 1 21 21 PHE H H 21 8.438 8.438 8.392 0.046 18269
1512 1 4 . 1 1 22 22 TYR N N 22 119.937 119.937 120.445 -0.508 18269
1513 1 4 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.725 0.064 18269
1514 1 4 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.319 -0.667 18269
1515 1 4 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.476 -0.202 18269
1516 1 4 . 1 1 22 22 TYR H H 22 8.708 8.708 8.606 0.102 18269
1517 1 4 . 1 1 23 23 LYS N N 23 116.431 116.431 117.328 -0.897 18269
1518 1 4 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.945 -0.086 18269
1519 1 4 . 1 1 23 23 LYS CA C 23 59.143 59.143 59.027 0.116 18269
1520 1 4 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.529 0.688 18269
1521 1 4 . 1 1 23 23 LYS H H 23 7.928 7.928 8.480 -0.552 18269
1522 1 4 . 1 1 24 24 SER N N 24 113.888 113.888 115.754 -1.866 18269
1523 1 4 . 1 1 24 24 SER HA H 24 4.325 4.325 4.175 0.150 18269
1524 1 4 . 1 1 24 24 SER CA C 24 61.016 61.016 61.580 -0.564 18269
1525 1 4 . 1 1 24 24 SER CB C 24 62.837 62.837 62.720 0.117 18269
1526 1 4 . 1 1 24 24 SER H H 24 7.665 7.665 7.707 -0.042 18269
1527 1 4 . 1 1 25 25 LEU N N 25 119.663 119.663 121.590 -1.927 18269
1528 1 4 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.009 -0.330 18269
1529 1 4 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.754 -0.249 18269
1530 1 4 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.566 0.336 18269
1531 1 4 . 1 1 25 25 LEU H H 25 7.573 7.573 7.483 0.090 18269
1532 1 4 . 1 1 26 26 ILE N N 26 119.781 119.781 119.264 0.517 18269
1533 1 4 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.605 0.251 18269
1534 1 4 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.164 0.385 18269
1535 1 4 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.590 0.715 18269
1536 1 4 . 1 1 26 26 ILE H H 26 8.094 8.094 7.496 0.598 18269
1537 1 4 . 1 1 27 27 ASP N N 27 122.421 122.421 119.965 2.456 18269
1538 1 4 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.436 -0.060 18269
1539 1 4 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.752 0.268 18269
1540 1 4 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.288 -1.208 18269
1541 1 4 . 1 1 27 27 ASP H H 27 9.091 9.091 8.311 0.780 18269
1542 1 4 . 1 1 28 28 ARG N N 28 115.349 115.349 118.957 -3.608 18269
1543 1 4 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.352 -0.047 18269
1544 1 4 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.559 -0.061 18269
1545 1 4 . 1 1 28 28 ARG CB C 28 31.613 31.613 31.180 0.433 18269
1546 1 4 . 1 1 28 28 ARG H H 28 7.587 7.587 7.748 -0.161 18269
1547 1 4 . 1 1 29 29 GLY N N 29 109.999 109.999 107.338 2.661 18269
1548 1 4 . 1 1 29 29 GLY CA C 29 46.661 46.661 44.939 1.722 18269
1549 1 4 . 1 1 29 29 GLY H H 29 7.909 7.909 8.100 -0.191 18269
1550 1 4 . 1 1 30 30 VAL N N 30 118.740 118.740 122.356 -3.616 18269
1551 1 4 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.154 -0.395 18269
1552 1 4 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.162 0.308 18269
1553 1 4 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.438 0.888 18269
1554 1 4 . 1 1 30 30 VAL H H 30 7.701 7.701 7.559 0.142 18269
1555 1 4 . 1 1 31 31 ASN N N 31 123.250 123.250 125.732 -2.482 18269
1556 1 4 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.774 -0.061 18269
1557 1 4 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.412 1.076 18269
1558 1 4 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.085 -0.874 18269
1559 1 4 . 1 1 31 31 ASN H H 31 8.498 8.498 7.779 0.719 18269
1560 1 4 . 1 1 32 32 PHE N N 32 126.076 126.076 115.748 10.328 18269
1561 1 4 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.303 -0.165 18269
1562 1 4 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.457 -0.810 18269
1563 1 4 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.608 -0.830 18269
1564 1 4 . 1 1 32 32 PHE H H 32 8.783 8.783 8.509 0.274 18269
1565 1 4 . 1 1 33 33 SER N N 33 115.958 115.958 114.192 1.766 18269
1566 1 4 . 1 1 33 33 SER HA H 33 4.736 4.736 4.695 0.041 18269
1567 1 4 . 1 1 33 33 SER CA C 33 56.745 56.745 57.611 -0.866 18269
1568 1 4 . 1 1 33 33 SER CB C 33 64.899 64.899 64.725 0.174 18269
1569 1 4 . 1 1 33 33 SER H H 33 7.699 7.699 7.851 -0.152 18269
1570 1 4 . 1 1 34 34 LEU N N 34 124.359 124.359 127.856 -3.497 18269
1571 1 4 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.035 -0.182 18269
1572 1 4 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.209 1.462 18269
1573 1 4 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.489 0.057 18269
1574 1 4 . 1 1 34 34 LEU H H 34 8.935 8.935 8.664 0.271 18269
1575 1 4 . 1 1 35 35 ASP N N 35 115.345 115.345 117.883 -2.538 18269
1576 1 4 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.432 -0.054 18269
1577 1 4 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.911 -1.053 18269
1578 1 4 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.426 -0.266 18269
1579 1 4 . 1 1 35 35 ASP H H 35 8.575 8.575 8.741 -0.166 18269
1580 1 4 . 1 1 36 36 THR N N 36 116.789 116.789 116.608 0.181 18269
1581 1 4 . 1 1 36 36 THR HA H 36 4.015 4.015 4.107 -0.092 18269
1582 1 4 . 1 1 36 36 THR CA C 36 66.069 66.069 66.356 -0.287 18269
1583 1 4 . 1 1 36 36 THR CB C 36 68.780 68.780 68.946 -0.166 18269
1584 1 4 . 1 1 36 36 THR H H 36 7.593 7.593 7.252 0.341 18269
1585 1 4 . 1 1 37 37 ILE N N 37 120.685 120.685 121.476 -0.791 18269
1586 1 4 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.828 -0.459 18269
1587 1 4 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.431 2.369 18269
1588 1 4 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.244 0.847 18269
1589 1 4 . 1 1 37 37 ILE H H 37 8.436 8.436 8.661 -0.225 18269
1590 1 4 . 1 1 38 38 GLU N N 38 118.792 118.792 121.014 -2.222 18269
1591 1 4 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.942 -0.264 18269
1592 1 4 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.008 1.052 18269
1593 1 4 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.588 0.283 18269
1594 1 4 . 1 1 38 38 GLU H H 38 8.122 8.122 8.162 -0.040 18269
1595 1 4 . 1 1 39 39 LYS N N 39 116.986 116.986 117.612 -0.626 18269
1596 1 4 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.240 -0.279 18269
1597 1 4 . 1 1 39 39 LYS CA C 39 59.746 59.746 57.656 2.090 18269
1598 1 4 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.821 0.489 18269
1599 1 4 . 1 1 39 39 LYS H H 39 7.586 7.586 8.055 -0.469 18269
1600 1 4 . 1 1 40 40 GLU N N 40 117.892 117.892 120.503 -2.611 18269
1601 1 4 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.427 -0.222 18269
1602 1 4 . 1 1 40 40 GLU CA C 40 58.359 58.359 57.560 0.799 18269
1603 1 4 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.439 -0.860 18269
1604 1 4 . 1 1 40 40 GLU H H 40 8.690 8.690 8.645 0.045 18269
1605 1 4 . 1 1 41 41 LEU N N 41 125.830 125.830 122.581 3.249 18269
1606 1 4 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.868 -0.321 18269
1607 1 4 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.758 -0.930 18269
1608 1 4 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.832 -1.494 18269
1609 1 4 . 1 1 41 41 LEU H H 41 8.978 8.978 8.258 0.720 18269
1610 1 4 . 1 1 42 42 ILE N N 42 119.900 119.900 118.878 1.022 18269
1611 1 4 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.938 -0.354 18269
1612 1 4 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.073 0.759 18269
1613 1 4 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.808 -0.018 18269
1614 1 4 . 1 1 42 42 ILE H H 42 7.884 7.884 8.636 -0.752 18269
1615 1 4 . 1 1 43 43 SER N N 43 114.071 114.071 115.161 -1.090 18269
1616 1 4 . 1 1 43 43 SER HA H 43 4.277 4.277 4.241 0.036 18269
1617 1 4 . 1 1 43 43 SER CA C 43 61.598 61.598 61.406 0.192 18269
1618 1 4 . 1 1 43 43 SER CB C 43 62.767 62.767 62.995 -0.228 18269
1619 1 4 . 1 1 43 43 SER H H 43 7.791 7.791 7.661 0.130 18269
1620 1 4 . 1 1 44 44 PHE N N 44 125.036 125.036 123.194 1.842 18269
1621 1 4 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.404 -0.075 18269
1622 1 4 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.825 -0.568 18269
1623 1 4 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.325 1.306 18269
1624 1 4 . 1 1 44 44 PHE H H 44 9.060 9.060 8.652 0.408 18269
1625 1 4 . 1 1 45 45 CYS N N 45 112.824 112.824 117.976 -5.152 18269
1626 1 4 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.567 0.039 18269
1627 1 4 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.403 -3.167 18269
1628 1 4 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.465 17.158 18269
1629 1 4 . 1 1 45 45 CYS H H 45 8.254 8.254 9.031 -0.777 18269
1630 1 4 . 1 1 46 46 LEU N N 46 123.875 123.875 120.407 3.468 18269
1631 1 4 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.379 -0.204 18269
1632 1 4 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.166 0.985 18269
1633 1 4 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.329 -0.077 18269
1634 1 4 . 1 1 46 46 LEU H H 46 7.776 7.776 7.473 0.303 18269
1635 1 4 . 1 1 47 47 ASP N N 47 116.880 116.880 120.948 -4.068 18269
1636 1 4 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.655 0.255 18269
1637 1 4 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.885 -1.300 18269
1638 1 4 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.425 0.950 18269
1639 1 4 . 1 1 47 47 ASP H H 47 7.852 7.852 8.316 -0.464 18269
1640 1 4 . 1 1 48 48 THR N N 48 108.053 108.053 110.657 -2.604 18269
1641 1 4 . 1 1 48 48 THR HA H 48 4.461 4.461 4.381 0.080 18269
1642 1 4 . 1 1 48 48 THR CA C 48 60.844 60.844 60.220 0.624 18269
1643 1 4 . 1 1 48 48 THR CB C 48 73.395 73.395 71.495 1.900 18269
1644 1 4 . 1 1 48 48 THR H H 48 7.139 7.139 7.749 -0.610 18269
1645 1 4 . 1 1 49 49 LYS N N 49 118.308 118.308 119.377 -1.069 18269
1646 1 4 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.601 0.117 18269
1647 1 4 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.958 -0.914 18269
1648 1 4 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.820 2.750 18269
1649 1 4 . 1 1 49 49 LYS H H 49 8.755 8.755 9.351 -0.596 18269
1650 1 4 . 1 1 50 50 GLY N N 50 108.996 108.996 109.925 -0.929 18269
1651 1 4 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.640 -0.797 18269
1652 1 4 . 1 1 50 50 GLY H H 50 8.866 8.866 8.651 0.215 18269
1653 1 4 . 1 1 51 51 LYS N N 51 126.155 126.155 122.086 4.069 18269
1654 1 4 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.077 -0.107 18269
1655 1 4 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.131 -1.021 18269
1656 1 4 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.208 0.411 18269
1657 1 4 . 1 1 51 51 LYS H H 51 9.254 9.254 8.778 0.476 18269
1658 1 4 . 1 1 52 52 GLU N N 52 116.496 116.496 119.146 -2.650 18269
1659 1 4 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.123 -0.600 18269
1660 1 4 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.272 0.118 18269
1661 1 4 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.609 -0.923 18269
1662 1 4 . 1 1 52 52 GLU H H 52 8.223 8.223 7.981 0.242 18269
1663 1 4 . 1 1 53 53 ASN N N 53 119.000 119.000 118.621 0.379 18269
1664 1 4 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.788 -0.404 18269
1665 1 4 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.790 1.188 18269
1666 1 4 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.688 0.758 18269
1667 1 4 . 1 1 53 53 ASN H H 53 6.840 6.840 8.739 -1.899 18269
1668 1 4 . 1 1 54 54 ARG N N 54 118.480 118.480 119.021 -0.541 18269
1669 1 4 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.541 -0.772 18269
1670 1 4 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.500 -0.103 18269
1671 1 4 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.392 -1.652 18269
1672 1 4 . 1 1 54 54 ARG H H 54 7.456 7.456 7.912 -0.456 18269
1673 1 4 . 1 1 55 55 LEU N N 55 118.688 118.688 122.375 -3.687 18269
1674 1 4 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.200 -0.392 18269
1675 1 4 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.289 0.170 18269
1676 1 4 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.698 -1.578 18269
1677 1 4 . 1 1 55 55 LEU H H 55 7.843 7.843 8.261 -0.418 18269
1678 1 4 . 1 1 56 56 CYS N N 56 115.905 115.905 117.668 -1.763 18269
1679 1 4 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.893 -0.020 18269
1680 1 4 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.773 2.264 18269
1681 1 4 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.417 17.488 18269
1682 1 4 . 1 1 56 56 CYS H H 56 7.752 7.752 7.916 -0.164 18269
1683 1 4 . 1 1 57 57 TYR N N 57 121.810 121.810 118.424 3.386 18269
1684 1 4 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.265 -0.122 18269
1685 1 4 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.804 0.511 18269
1686 1 4 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.785 -0.731 18269
1687 1 4 . 1 1 57 57 TYR H H 57 7.911 7.911 8.014 -0.103 18269
1688 1 4 . 1 1 58 58 TYR N N 58 121.916 121.916 116.667 5.249 18269
1689 1 4 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.382 -0.007 18269
1690 1 4 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.397 -1.388 18269
1691 1 4 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.795 -0.771 18269
1692 1 4 . 1 1 58 58 TYR H H 58 8.334 8.334 7.668 0.666 18269
1693 1 4 . 1 1 59 59 LEU N N 59 114.461 114.461 116.852 -2.391 18269
1694 1 4 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.052 0.068 18269
1695 1 4 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.090 -0.861 18269
1696 1 4 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.457 -0.412 18269
1697 1 4 . 1 1 59 59 LEU H H 59 8.079 8.079 7.521 0.558 18269
1698 1 4 . 1 1 60 60 GLY N N 60 102.559 102.559 103.002 -0.443 18269
1699 1 4 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.081 0.491 18269
1700 1 4 . 1 1 60 60 GLY H H 60 7.562 7.562 8.230 -0.668 18269
1701 1 4 . 1 1 61 61 ALA N N 61 120.327 120.327 124.592 -4.265 18269
1702 1 4 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.645 -0.244 18269
1703 1 4 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.275 -0.010 18269
1704 1 4 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.633 2.704 18269
1705 1 4 . 1 1 61 61 ALA H H 61 7.995 7.995 7.601 0.394 18269
1706 1 4 . 1 1 62 62 THR N N 62 106.895 106.895 116.141 -9.246 18269
1707 1 4 . 1 1 62 62 THR HA H 62 4.518 4.518 4.376 0.142 18269
1708 1 4 . 1 1 62 62 THR CA C 62 59.982 59.982 62.775 -2.793 18269
1709 1 4 . 1 1 62 62 THR CB C 62 70.540 70.540 70.072 0.468 18269
1710 1 4 . 1 1 62 62 THR H H 62 7.156 7.156 7.661 -0.505 18269
1711 1 4 . 1 1 63 63 LYS N N 63 121.251 121.251 118.827 2.424 18269
1712 1 4 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.451 -0.354 18269
1713 1 4 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.408 1.864 18269
1714 1 4 . 1 1 63 63 LYS CB C 63 32.155 32.155 34.416 -2.261 18269
1715 1 4 . 1 1 63 63 LYS H H 63 8.626 8.626 7.723 0.903 18269
1716 1 4 . 1 1 64 64 ASP N N 64 116.607 116.607 120.755 -4.148 18269
1717 1 4 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.815 -0.258 18269
1718 1 4 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.030 -0.128 18269
1719 1 4 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.034 -0.928 18269
1720 1 4 . 1 1 64 64 ASP H H 64 8.441 8.441 8.497 -0.056 18269
1721 1 4 . 1 1 65 65 ALA N N 65 122.486 122.486 125.632 -3.146 18269
1722 1 4 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.420 -0.335 18269
1723 1 4 . 1 1 65 65 ALA CA C 65 52.549 52.549 53.498 -0.949 18269
1724 1 4 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.137 -0.580 18269
1725 1 4 . 1 1 65 65 ALA H H 65 7.368 7.368 8.618 -1.250 18269
1726 1 4 . 1 1 66 66 ALA N N 66 124.171 124.171 123.434 0.737 18269
1727 1 4 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.683 -0.239 18269
1728 1 4 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.595 -0.124 18269
1729 1 4 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.094 0.171 18269
1730 1 4 . 1 1 66 66 ALA H H 66 8.300 8.300 8.039 0.261 18269
1731 1 4 . 1 1 67 67 THR N N 67 111.638 111.638 114.347 -2.709 18269
1732 1 4 . 1 1 67 67 THR HA H 67 4.496 4.496 4.036 0.460 18269
1733 1 4 . 1 1 67 67 THR CA C 67 60.881 60.881 64.167 -3.286 18269
1734 1 4 . 1 1 67 67 THR CB C 67 70.199 70.199 68.928 1.270 18269
1735 1 4 . 1 1 67 67 THR H H 67 7.730 7.730 8.267 -0.537 18269
1736 1 4 . 1 1 68 68 LYS N N 68 121.732 121.732 119.145 2.587 18269
1737 1 4 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.242 0.294 18269
1738 1 4 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.111 -1.549 18269
1739 1 4 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.388 0.711 18269
1740 1 4 . 1 1 68 68 LYS H H 68 8.502 8.502 8.058 0.444 18269
1741 1 4 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.176 0.163 18269
1742 1 4 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.800 -1.095 18269
1743 1 4 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.742 -0.942 18269
1744 1 4 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.184 -0.053 18269
1745 1 4 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.304 1.312 18269
1746 1 4 . 1 1 70 70 LEU CB C 70 41.738 41.738 40.880 0.858 18269
1747 1 4 . 1 1 71 71 SER HA H 71 4.817 4.817 4.221 0.596 18269
1748 1 4 . 1 1 71 71 SER CA C 71 60.667 60.667 61.512 -0.845 18269
1749 1 4 . 1 1 71 71 SER CB C 71 62.646 62.646 62.796 -0.150 18269
1750 1 4 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.209 0.055 18269
1751 1 4 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.288 -1.659 18269
1752 1 4 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.282 -1.035 18269
1753 1 4 . 1 1 73 73 VAL N N 73 114.786 114.786 119.366 -4.580 18269
1754 1 4 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.954 0.148 18269
1755 1 4 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.661 -1.920 18269
1756 1 4 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.613 1.652 18269
1757 1 4 . 1 1 73 73 VAL H H 73 7.812 7.812 7.931 -0.119 18269
1758 1 4 . 1 1 74 74 THR HA H 74 3.767 3.767 4.028 -0.261 18269
1759 1 4 . 1 1 74 74 THR CA C 74 65.584 65.584 66.586 -1.002 18269
1760 1 4 . 1 1 74 74 THR CB C 74 67.470 67.470 68.482 -1.012 18269
1761 1 4 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.111 0.135 18269
1762 1 4 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.898 0.485 18269
1763 1 4 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.197 0.423 18269
1764 1 4 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.235 0.250 18269
1765 1 4 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.699 -0.002 18269
1766 1 4 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.368 -0.473 18269
1767 1 4 . 1 1 77 77 MET N N 77 117.583 117.583 113.608 3.975 18269
1768 1 4 . 1 1 77 77 MET HA H 77 4.684 4.684 4.274 0.410 18269
1769 1 4 . 1 1 77 77 MET CA C 77 59.347 59.347 56.381 2.966 18269
1770 1 4 . 1 1 77 77 MET CB C 77 32.996 32.996 31.252 1.744 18269
1771 1 4 . 1 1 77 77 MET H H 77 7.685 7.685 8.198 -0.513 18269
1772 1 4 . 1 1 78 78 SER N N 78 114.578 114.578 113.329 1.249 18269
1773 1 4 . 1 1 78 78 SER HA H 78 4.226 4.226 4.319 -0.093 18269
1774 1 4 . 1 1 78 78 SER CA C 78 61.922 61.922 59.298 2.624 18269
1775 1 4 . 1 1 78 78 SER CB C 78 62.406 62.406 63.679 -1.273 18269
1776 1 4 . 1 1 78 78 SER H H 78 8.285 8.285 7.534 0.751 18269
1777 1 4 . 1 1 79 79 VAL N N 79 111.248 111.248 118.705 -7.457 18269
1778 1 4 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.138 0.613 18269
1779 1 4 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.906 0.220 18269
1780 1 4 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.334 -4.988 18269
1781 1 4 . 1 1 79 79 VAL H H 79 7.004 7.004 7.388 -0.384 18269
1782 1 4 . 1 1 80 80 HIS N N 80 116.703 116.703 123.741 -7.038 18269
1783 1 4 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.582 -0.466 18269
1784 1 4 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.074 -0.248 18269
1785 1 4 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.029 -3.140 18269
1786 1 4 . 1 1 80 80 HIS H H 80 8.289 8.289 8.591 -0.302 18269
1787 1 4 . 1 1 81 81 MET N N 81 120.978 120.978 125.755 -4.777 18269
1788 1 4 . 1 1 81 81 MET HA H 81 4.512 4.512 4.860 -0.348 18269
1789 1 4 . 1 1 81 81 MET CA C 81 55.007 55.007 52.496 2.511 18269
1790 1 4 . 1 1 81 81 MET CB C 81 33.265 33.265 34.153 -0.888 18269
1791 1 4 . 1 1 81 81 MET H H 81 8.006 8.006 8.231 -0.225 18269
1792 1 4 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.189 0.152 18269
1793 1 4 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.722 -1.486 18269
1794 1 4 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.532 2.131 18269
1795 1 4 . 1 1 83 83 ALA N N 83 126.545 126.545 120.809 5.736 18269
1796 1 4 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.930 0.016 18269
1797 1 4 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.078 0.895 18269
1798 1 4 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.470 1.005 18269
1799 1 4 . 1 1 83 83 ALA H H 83 9.196 9.196 8.095 1.101 18269
1800 1 4 . 1 1 84 84 MET N N 84 114.734 114.734 115.758 -1.024 18269
1801 1 4 . 1 1 84 84 MET HA H 84 4.024 4.024 4.579 -0.555 18269
1802 1 4 . 1 1 84 84 MET CA C 84 58.812 58.812 57.426 1.386 18269
1803 1 4 . 1 1 84 84 MET CB C 84 32.242 32.242 31.120 1.122 18269
1804 1 4 . 1 1 84 84 MET H H 84 9.289 9.289 7.739 1.550 18269
1805 1 4 . 1 1 85 85 LYS N N 85 116.490 116.490 121.021 -4.531 18269
1806 1 4 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.111 0.063 18269
1807 1 4 . 1 1 85 85 LYS CA C 85 58.116 58.116 59.029 -0.913 18269
1808 1 4 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.106 -0.313 18269
1809 1 4 . 1 1 85 85 LYS H H 85 6.997 6.997 8.273 -1.276 18269
1810 1 4 . 1 1 86 86 ILE N N 86 120.561 120.561 118.927 1.634 18269
1811 1 4 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.714 -0.099 18269
1812 1 4 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.507 1.770 18269
1813 1 4 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.831 -0.311 18269
1814 1 4 . 1 1 86 86 ILE H H 86 7.875 7.875 7.537 0.338 18269
1815 1 4 . 1 1 87 87 CYS N N 87 117.323 117.323 118.165 -0.842 18269
1816 1 4 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.225 -0.149 18269
1817 1 4 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.291 -0.231 18269
1818 1 4 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.788 16.945 18269
1819 1 4 . 1 1 87 87 CYS H H 87 8.643 8.643 7.925 0.718 18269
1820 1 4 . 1 1 88 88 GLU N N 88 118.070 118.070 121.721 -3.651 18269
1821 1 4 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.013 -0.065 18269
1822 1 4 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.304 0.459 18269
1823 1 4 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.401 0.362 18269
1824 1 4 . 1 1 88 88 GLU H H 88 8.045 8.045 7.750 0.295 18269
1825 1 4 . 1 1 89 89 LYS N N 89 119.719 119.719 119.350 0.369 18269
1826 1 4 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.062 0.076 18269
1827 1 4 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.226 -0.096 18269
1828 1 4 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.261 -0.558 18269
1829 1 4 . 1 1 89 89 LYS H H 89 7.530 7.530 7.850 -0.320 18269
1830 1 4 . 1 1 90 90 LEU N N 90 119.550 119.550 119.673 -0.123 18269
1831 1 4 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.030 -0.065 18269
1832 1 4 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.181 0.162 18269
1833 1 4 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.569 -0.578 18269
1834 1 4 . 1 1 90 90 LEU H H 90 8.422 8.422 7.907 0.515 18269
1835 1 4 . 1 1 91 91 LYS N N 91 119.180 119.180 118.928 0.252 18269
1836 1 4 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.196 -0.334 18269
1837 1 4 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.128 -0.523 18269
1838 1 4 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.050 0.427 18269
1839 1 4 . 1 1 91 91 LYS H H 91 8.218 8.218 7.581 0.637 18269
1840 1 4 . 1 1 92 92 LYS N N 92 113.632 113.632 119.374 -5.742 18269
1841 1 4 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.220 -0.167 18269
1842 1 4 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.668 -0.110 18269
1843 1 4 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.027 -0.093 18269
1844 1 4 . 1 1 92 92 LYS H H 92 6.984 6.984 7.628 -0.644 18269
1845 1 4 . 1 1 93 93 LEU N N 93 119.104 119.104 119.884 -0.780 18269
1846 1 4 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.340 -0.050 18269
1847 1 4 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.708 -0.604 18269
1848 1 4 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.058 -0.956 18269
1849 1 4 . 1 1 93 93 LEU H H 93 7.456 7.456 7.479 -0.023 18269
1850 1 4 . 1 1 94 94 ASP N N 94 116.790 116.790 116.193 0.597 18269
1851 1 4 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.807 -0.251 18269
1852 1 4 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.898 0.468 18269
1853 1 4 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.843 -1.670 18269
1854 1 4 . 1 1 94 94 ASP H H 94 7.911 7.911 8.307 -0.396 18269
1855 1 4 . 1 1 95 95 SER N N 95 122.399 122.399 120.603 1.796 18269
1856 1 4 . 1 1 95 95 SER HA H 95 4.186 4.186 4.364 -0.178 18269
1857 1 4 . 1 1 95 95 SER CA C 95 61.472 61.472 60.073 1.399 18269
1858 1 4 . 1 1 95 95 SER CB C 95 62.568 62.568 63.462 -0.894 18269
1859 1 4 . 1 1 95 95 SER H H 95 8.894 8.894 8.700 0.194 18269
1860 1 4 . 1 1 96 96 GLN N N 96 120.800 120.800 120.527 0.273 18269
1861 1 4 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.995 -0.133 18269
1862 1 4 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.353 0.798 18269
1863 1 4 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.255 0.162 18269
1864 1 4 . 1 1 96 96 GLN H H 96 8.610 8.610 8.336 0.274 18269
1865 1 4 . 1 1 97 97 ILE N N 97 117.387 117.387 117.755 -0.368 18269
1866 1 4 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.590 -0.191 18269
1867 1 4 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.634 2.197 18269
1868 1 4 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.118 0.155 18269
1869 1 4 . 1 1 97 97 ILE H H 97 7.470 7.470 7.345 0.125 18269
1870 1 4 . 1 1 98 98 CYS N N 98 113.485 113.485 116.368 -2.883 18269
1871 1 4 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.327 0.744 18269
1872 1 4 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.780 2.193 18269
1873 1 4 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.826 20.761 18269
1874 1 4 . 1 1 98 98 CYS H H 98 7.410 7.410 7.377 0.033 18269
1875 1 4 . 1 1 99 99 GLU N N 99 119.123 119.123 120.069 -0.946 18269
1876 1 4 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.333 -0.010 18269
1877 1 4 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.702 1.024 18269
1878 1 4 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.527 2.452 18269
1879 1 4 . 1 1 99 99 GLU H H 99 7.308 7.308 7.997 -0.689 18269
1880 1 4 . 1 1 100 100 LEU N N 100 115.771 115.771 121.517 -5.746 18269
1881 1 4 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.325 -0.028 18269
1882 1 4 . 1 1 100 100 LEU CA C 100 55.682 55.682 53.556 2.126 18269
1883 1 4 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.341 0.620 18269
1884 1 4 . 1 1 100 100 LEU H H 100 6.496 6.496 7.353 -0.857 18269
1885 1 4 . 1 1 101 101 LYS N N 101 125.672 125.672 118.560 7.112 18269
1886 1 4 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.021 0.573 18269
1887 1 4 . 1 1 101 101 LYS CA C 101 55.350 55.350 55.100 0.250 18269
1888 1 4 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.896 2.827 18269
1889 1 4 . 1 1 101 101 LYS H H 101 8.575 8.575 7.666 0.909 18269
1890 1 4 . 1 1 102 102 TYR N N 102 120.395 120.395 121.099 -0.704 18269
1891 1 4 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.245 0.137 18269
1892 1 4 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.273 0.751 18269
1893 1 4 . 1 1 102 102 TYR CB C 102 38.328 38.328 36.974 1.354 18269
1894 1 4 . 1 1 102 102 TYR H H 102 8.756 8.756 8.433 0.323 18269
1895 1 4 . 1 1 103 103 GLU N N 103 121.550 121.550 120.326 1.224 18269
1896 1 4 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.043 0.349 18269
1897 1 4 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.084 -0.757 18269
1898 1 4 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.928 2.374 18269
1899 1 4 . 1 1 103 103 GLU H H 103 8.835 8.835 8.384 0.451 18269
1900 1 4 . 1 1 104 104 LYS N N 104 122.957 122.957 125.187 -2.230 18269
1901 1 4 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.468 -0.007 18269
1902 1 4 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.303 -0.029 18269
1903 1 4 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.572 0.475 18269
1904 1 4 . 1 1 104 104 LYS H H 104 8.490 8.490 8.309 0.181 18269
1905 1 5 . 1 1 2 2 GLU N N 2 121.590 121.590 118.069 3.521 18269
1906 1 5 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.128 0.166 18269
1907 1 5 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.457 -0.940 18269
1908 1 5 . 1 1 2 2 GLU CB C 2 30.151 30.151 30.026 0.124 18269
1909 1 5 . 1 1 2 2 GLU H H 2 8.621 8.621 8.563 0.058 18269
1910 1 5 . 1 1 3 3 ALA N N 3 125.815 125.815 125.756 0.059 18269
1911 1 5 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.515 -0.149 18269
1912 1 5 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.285 0.372 18269
1913 1 5 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.426 -1.479 18269
1914 1 5 . 1 1 3 3 ALA H H 3 8.598 8.598 8.726 -0.128 18269
1915 1 5 . 1 1 4 4 GLY N N 4 108.386 108.386 106.732 1.654 18269
1916 1 5 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.957 0.180 18269
1917 1 5 . 1 1 4 4 GLY H H 4 8.487 8.487 8.066 0.421 18269
1918 1 5 . 1 1 5 5 GLY N N 5 108.367 108.367 110.502 -2.135 18269
1919 1 5 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.872 -0.118 18269
1920 1 5 . 1 1 5 5 GLY H H 5 8.274 8.274 9.180 -0.906 18269
1921 1 5 . 1 1 6 6 ARG N N 6 121.577 121.577 116.848 4.729 18269
1922 1 5 . 1 1 6 6 ARG HA H 6 4.675 4.675 3.986 0.689 18269
1923 1 5 . 1 1 6 6 ARG CA C 6 53.881 53.881 56.000 -2.119 18269
1924 1 5 . 1 1 6 6 ARG CB C 6 30.135 30.135 28.175 1.960 18269
1925 1 5 . 1 1 6 6 ARG H H 6 8.297 8.297 8.627 -0.330 18269
1926 1 5 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.583 -0.092 18269
1927 1 5 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.385 0.968 18269
1928 1 5 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.955 1.092 18269
1929 1 5 . 1 1 8 8 GLY N N 8 109.658 109.658 107.725 1.933 18269
1930 1 5 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.638 -1.550 18269
1931 1 5 . 1 1 8 8 GLY H H 8 8.660 8.660 8.200 0.460 18269
1932 1 5 . 1 1 9 9 ALA N N 9 123.995 123.995 118.482 5.513 18269
1933 1 5 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.426 0.014 18269
1934 1 5 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.100 -1.303 18269
1935 1 5 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.849 0.429 18269
1936 1 5 . 1 1 9 9 ALA H H 9 8.200 8.200 8.090 0.110 18269
1937 1 5 . 1 1 10 10 ASP N N 10 119.834 119.834 118.660 1.174 18269
1938 1 5 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.614 0.043 18269
1939 1 5 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.999 -0.459 18269
1940 1 5 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.997 -0.491 18269
1941 1 5 . 1 1 10 10 ASP H H 10 8.290 8.290 8.305 -0.015 18269
1942 1 5 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.573 0.057 18269
1943 1 5 . 1 1 11 11 CYS CA C 11 54.758 54.758 58.748 -3.990 18269
1944 1 5 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.888 12.572 18269
1945 1 5 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.988 -0.024 18269
1946 1 5 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.462 0.915 18269
1947 1 5 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.339 1.916 18269
1948 1 5 . 1 1 13 13 VAL N N 13 117.224 117.224 118.154 -0.930 18269
1949 1 5 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.583 0.163 18269
1950 1 5 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.421 -2.375 18269
1951 1 5 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.185 0.033 18269
1952 1 5 . 1 1 13 13 VAL H H 13 7.040 7.040 8.431 -1.391 18269
1953 1 5 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.203 -0.118 18269
1954 1 5 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.128 -0.683 18269
1955 1 5 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.002 15.217 18269
1956 1 5 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.091 -0.032 18269
1957 1 5 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.495 -1.925 18269
1958 1 5 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.915 0.335 18269
1959 1 5 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.142 0.189 18269
1960 1 5 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.245 -0.070 18269
1961 1 5 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.367 0.039 18269
1962 1 5 . 1 1 16 16 GLU H H 16 8.098 8.098 8.677 -0.579 18269
1963 1 5 . 1 1 17 17 PHE N N 17 120.745 120.745 121.505 -0.760 18269
1964 1 5 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.376 -0.061 18269
1965 1 5 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.852 0.662 18269
1966 1 5 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.395 1.118 18269
1967 1 5 . 1 1 17 17 PHE H H 17 9.126 9.126 8.077 1.049 18269
1968 1 5 . 1 1 18 18 LEU N N 18 115.787 115.787 119.340 -3.553 18269
1969 1 5 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.833 0.310 18269
1970 1 5 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.500 -0.623 18269
1971 1 5 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.443 -0.491 18269
1972 1 5 . 1 1 18 18 LEU H H 18 8.505 8.505 8.363 0.142 18269
1973 1 5 . 1 1 19 19 ASN N N 19 117.635 117.635 116.547 1.088 18269
1974 1 5 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.371 0.505 18269
1975 1 5 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.633 -0.159 18269
1976 1 5 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.690 -0.362 18269
1977 1 5 . 1 1 19 19 ASN H H 19 8.405 8.405 8.089 0.316 18269
1978 1 5 . 1 1 20 20 ARG N N 20 122.851 122.851 120.310 2.541 18269
1979 1 5 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.103 0.014 18269
1980 1 5 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.363 0.926 18269
1981 1 5 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.245 0.210 18269
1982 1 5 . 1 1 20 20 ARG H H 20 8.325 8.325 7.816 0.509 18269
1983 1 5 . 1 1 21 21 PHE N N 21 121.774 121.774 121.370 0.404 18269
1984 1 5 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.329 -0.049 18269
1985 1 5 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.201 -2.190 18269
1986 1 5 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.245 -0.234 18269
1987 1 5 . 1 1 21 21 PHE H H 21 8.438 8.438 8.428 0.010 18269
1988 1 5 . 1 1 22 22 TYR N N 22 119.937 119.937 120.087 -0.150 18269
1989 1 5 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.764 0.025 18269
1990 1 5 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.824 -0.172 18269
1991 1 5 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.422 -0.148 18269
1992 1 5 . 1 1 22 22 TYR H H 22 8.708 8.708 8.593 0.115 18269
1993 1 5 . 1 1 23 23 LYS N N 23 116.431 116.431 117.431 -1.000 18269
1994 1 5 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.058 -0.199 18269
1995 1 5 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.720 1.423 18269
1996 1 5 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.902 0.315 18269
1997 1 5 . 1 1 23 23 LYS H H 23 7.928 7.928 8.064 -0.136 18269
1998 1 5 . 1 1 24 24 SER N N 24 113.888 113.888 115.938 -2.050 18269
1999 1 5 . 1 1 24 24 SER HA H 24 4.325 4.325 4.169 0.156 18269
2000 1 5 . 1 1 24 24 SER CA C 24 61.016 61.016 60.996 0.020 18269
2001 1 5 . 1 1 24 24 SER CB C 24 62.837 62.837 62.539 0.298 18269
2002 1 5 . 1 1 24 24 SER H H 24 7.665 7.665 8.220 -0.555 18269
2003 1 5 . 1 1 25 25 LEU N N 25 119.663 119.663 121.943 -2.280 18269
2004 1 5 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.896 -0.217 18269
2005 1 5 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.934 -0.428 18269
2006 1 5 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.299 0.603 18269
2007 1 5 . 1 1 25 25 LEU H H 25 7.573 7.573 7.956 -0.383 18269
2008 1 5 . 1 1 26 26 ILE N N 26 119.781 119.781 118.557 1.224 18269
2009 1 5 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.587 0.269 18269
2010 1 5 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.348 0.201 18269
2011 1 5 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.565 0.740 18269
2012 1 5 . 1 1 26 26 ILE H H 26 8.094 8.094 7.103 0.991 18269
2013 1 5 . 1 1 27 27 ASP N N 27 122.421 122.421 120.716 1.705 18269
2014 1 5 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.377 -0.001 18269
2015 1 5 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.770 0.249 18269
2016 1 5 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.111 -1.031 18269
2017 1 5 . 1 1 27 27 ASP H H 27 9.091 9.091 8.110 0.981 18269
2018 1 5 . 1 1 28 28 ARG N N 28 115.349 115.349 117.368 -2.019 18269
2019 1 5 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.220 0.085 18269
2020 1 5 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.903 -0.405 18269
2021 1 5 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.979 0.635 18269
2022 1 5 . 1 1 28 28 ARG H H 28 7.587 7.587 7.964 -0.377 18269
2023 1 5 . 1 1 29 29 GLY N N 29 109.999 109.999 107.061 2.938 18269
2024 1 5 . 1 1 29 29 GLY CA C 29 46.661 46.661 44.823 1.838 18269
2025 1 5 . 1 1 29 29 GLY H H 29 7.909 7.909 8.052 -0.143 18269
2026 1 5 . 1 1 30 30 VAL N N 30 118.740 118.740 119.367 -0.627 18269
2027 1 5 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.462 -0.703 18269
2028 1 5 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.912 1.558 18269
2029 1 5 . 1 1 30 30 VAL CB C 30 32.326 32.326 33.076 -0.750 18269
2030 1 5 . 1 1 30 30 VAL H H 30 7.701 7.701 7.951 -0.250 18269
2031 1 5 . 1 1 31 31 ASN N N 31 123.250 123.250 124.095 -0.845 18269
2032 1 5 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.510 0.203 18269
2033 1 5 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.434 0.055 18269
2034 1 5 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.302 -0.091 18269
2035 1 5 . 1 1 31 31 ASN H H 31 8.498 8.498 8.589 -0.091 18269
2036 1 5 . 1 1 32 32 PHE N N 32 126.076 126.076 119.902 6.174 18269
2037 1 5 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.684 -0.546 18269
2038 1 5 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.710 -0.063 18269
2039 1 5 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.567 -0.788 18269
2040 1 5 . 1 1 32 32 PHE H H 32 8.783 8.783 8.410 0.373 18269
2041 1 5 . 1 1 33 33 SER N N 33 115.958 115.958 115.277 0.681 18269
2042 1 5 . 1 1 33 33 SER HA H 33 4.736 4.736 4.669 0.067 18269
2043 1 5 . 1 1 33 33 SER CA C 33 56.745 56.745 57.278 -0.533 18269
2044 1 5 . 1 1 33 33 SER CB C 33 64.899 64.899 65.360 -0.461 18269
2045 1 5 . 1 1 33 33 SER H H 33 7.699 7.699 8.196 -0.497 18269
2046 1 5 . 1 1 34 34 LEU N N 34 124.359 124.359 128.982 -4.623 18269
2047 1 5 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.039 -0.186 18269
2048 1 5 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.279 1.392 18269
2049 1 5 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.479 0.067 18269
2050 1 5 . 1 1 34 34 LEU H H 34 8.935 8.935 8.709 0.226 18269
2051 1 5 . 1 1 35 35 ASP N N 35 115.345 115.345 118.187 -2.842 18269
2052 1 5 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.408 -0.030 18269
2053 1 5 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.715 -0.856 18269
2054 1 5 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.775 -0.615 18269
2055 1 5 . 1 1 35 35 ASP H H 35 8.575 8.575 8.648 -0.073 18269
2056 1 5 . 1 1 36 36 THR N N 36 116.789 116.789 116.283 0.506 18269
2057 1 5 . 1 1 36 36 THR HA H 36 4.015 4.015 4.106 -0.091 18269
2058 1 5 . 1 1 36 36 THR CA C 36 66.069 66.069 66.433 -0.364 18269
2059 1 5 . 1 1 36 36 THR CB C 36 68.780 68.780 68.595 0.185 18269
2060 1 5 . 1 1 36 36 THR H H 36 7.593 7.593 7.275 0.318 18269
2061 1 5 . 1 1 37 37 ILE N N 37 120.685 120.685 121.819 -1.134 18269
2062 1 5 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.723 -0.354 18269
2063 1 5 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.798 0.002 18269
2064 1 5 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.556 -0.465 18269
2065 1 5 . 1 1 37 37 ILE H H 37 8.436 8.436 8.702 -0.266 18269
2066 1 5 . 1 1 38 38 GLU N N 38 118.792 118.792 120.630 -1.838 18269
2067 1 5 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.931 -0.253 18269
2068 1 5 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.786 1.274 18269
2069 1 5 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.593 0.278 18269
2070 1 5 . 1 1 38 38 GLU H H 38 8.122 8.122 8.055 0.067 18269
2071 1 5 . 1 1 39 39 LYS N N 39 116.986 116.986 120.163 -3.177 18269
2072 1 5 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.044 -0.083 18269
2073 1 5 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.197 0.549 18269
2074 1 5 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.291 0.019 18269
2075 1 5 . 1 1 39 39 LYS H H 39 7.586 7.586 8.080 -0.494 18269
2076 1 5 . 1 1 40 40 GLU N N 40 117.892 117.892 118.751 -0.859 18269
2077 1 5 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.341 -0.136 18269
2078 1 5 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.224 0.135 18269
2079 1 5 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.532 -0.953 18269
2080 1 5 . 1 1 40 40 GLU H H 40 8.690 8.690 8.444 0.246 18269
2081 1 5 . 1 1 41 41 LEU N N 41 125.830 125.830 122.143 3.687 18269
2082 1 5 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.838 -0.291 18269
2083 1 5 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.466 -0.638 18269
2084 1 5 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.770 -1.432 18269
2085 1 5 . 1 1 41 41 LEU H H 41 8.978 8.978 8.444 0.534 18269
2086 1 5 . 1 1 42 42 ILE N N 42 119.900 119.900 119.851 0.049 18269
2087 1 5 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.614 -0.030 18269
2088 1 5 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.460 0.371 18269
2089 1 5 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.847 -0.057 18269
2090 1 5 . 1 1 42 42 ILE H H 42 7.884 7.884 8.098 -0.214 18269
2091 1 5 . 1 1 43 43 SER N N 43 114.071 114.071 116.050 -1.979 18269
2092 1 5 . 1 1 43 43 SER HA H 43 4.277 4.277 4.146 0.131 18269
2093 1 5 . 1 1 43 43 SER CA C 43 61.598 61.598 61.888 -0.290 18269
2094 1 5 . 1 1 43 43 SER CB C 43 62.767 62.767 63.201 -0.434 18269
2095 1 5 . 1 1 43 43 SER H H 43 7.791 7.791 8.131 -0.340 18269
2096 1 5 . 1 1 44 44 PHE N N 44 125.036 125.036 122.725 2.311 18269
2097 1 5 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.366 -0.037 18269
2098 1 5 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.813 -0.556 18269
2099 1 5 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.732 0.899 18269
2100 1 5 . 1 1 44 44 PHE H H 44 9.060 9.060 8.575 0.485 18269
2101 1 5 . 1 1 45 45 CYS N N 45 112.824 112.824 118.282 -5.458 18269
2102 1 5 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.472 0.134 18269
2103 1 5 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.768 -3.532 18269
2104 1 5 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.910 16.713 18269
2105 1 5 . 1 1 45 45 CYS H H 45 8.254 8.254 8.845 -0.591 18269
2106 1 5 . 1 1 46 46 LEU N N 46 123.875 123.875 119.648 4.227 18269
2107 1 5 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.245 -0.070 18269
2108 1 5 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.140 1.011 18269
2109 1 5 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.186 0.066 18269
2110 1 5 . 1 1 46 46 LEU H H 46 7.776 7.776 7.818 -0.042 18269
2111 1 5 . 1 1 47 47 ASP N N 47 116.880 116.880 117.353 -0.473 18269
2112 1 5 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.608 0.302 18269
2113 1 5 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.638 -2.053 18269
2114 1 5 . 1 1 47 47 ASP CB C 47 40.375 40.375 42.015 -1.640 18269
2115 1 5 . 1 1 47 47 ASP H H 47 7.852 7.852 7.716 0.136 18269
2116 1 5 . 1 1 48 48 THR N N 48 108.053 108.053 113.300 -5.247 18269
2117 1 5 . 1 1 48 48 THR HA H 48 4.461 4.461 4.088 0.373 18269
2118 1 5 . 1 1 48 48 THR CA C 48 60.844 60.844 62.447 -1.603 18269
2119 1 5 . 1 1 48 48 THR CB C 48 73.395 73.395 69.573 3.822 18269
2120 1 5 . 1 1 48 48 THR H H 48 7.139 7.139 7.681 -0.542 18269
2121 1 5 . 1 1 49 49 LYS N N 49 118.308 118.308 119.467 -1.159 18269
2122 1 5 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.556 0.162 18269
2123 1 5 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.726 -0.682 18269
2124 1 5 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.109 3.461 18269
2125 1 5 . 1 1 49 49 LYS H H 49 8.755 8.755 9.165 -0.410 18269
2126 1 5 . 1 1 50 50 GLY N N 50 108.996 108.996 109.495 -0.499 18269
2127 1 5 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.789 -0.947 18269
2128 1 5 . 1 1 50 50 GLY H H 50 8.866 8.866 8.835 0.031 18269
2129 1 5 . 1 1 51 51 LYS N N 51 126.155 126.155 120.929 5.226 18269
2130 1 5 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.027 -0.057 18269
2131 1 5 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.282 -1.172 18269
2132 1 5 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.936 0.683 18269
2133 1 5 . 1 1 51 51 LYS H H 51 9.254 9.254 8.677 0.577 18269
2134 1 5 . 1 1 52 52 GLU N N 52 116.496 116.496 119.392 -2.896 18269
2135 1 5 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.105 -0.582 18269
2136 1 5 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.307 0.083 18269
2137 1 5 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.785 -1.099 18269
2138 1 5 . 1 1 52 52 GLU H H 52 8.223 8.223 8.015 0.208 18269
2139 1 5 . 1 1 53 53 ASN N N 53 119.000 119.000 119.779 -0.779 18269
2140 1 5 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.612 -0.228 18269
2141 1 5 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.912 1.066 18269
2142 1 5 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.630 0.816 18269
2143 1 5 . 1 1 53 53 ASN H H 53 6.840 6.840 8.734 -1.894 18269
2144 1 5 . 1 1 54 54 ARG N N 54 118.480 118.480 119.766 -1.286 18269
2145 1 5 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.147 -0.378 18269
2146 1 5 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.120 -0.723 18269
2147 1 5 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.882 -1.142 18269
2148 1 5 . 1 1 54 54 ARG H H 54 7.456 7.456 8.271 -0.815 18269
2149 1 5 . 1 1 55 55 LEU N N 55 118.688 118.688 121.282 -2.594 18269
2150 1 5 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.219 -0.411 18269
2151 1 5 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.003 0.456 18269
2152 1 5 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.933 -1.813 18269
2153 1 5 . 1 1 55 55 LEU H H 55 7.843 7.843 7.735 0.108 18269
2154 1 5 . 1 1 56 56 CYS N N 56 115.905 115.905 116.219 -0.314 18269
2155 1 5 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.938 -0.065 18269
2156 1 5 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.725 1.312 18269
2157 1 5 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.610 17.295 18269
2158 1 5 . 1 1 56 56 CYS H H 56 7.752 7.752 7.687 0.065 18269
2159 1 5 . 1 1 57 57 TYR N N 57 121.810 121.810 119.067 2.743 18269
2160 1 5 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.015 0.128 18269
2161 1 5 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.826 -0.511 18269
2162 1 5 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.513 -0.459 18269
2163 1 5 . 1 1 57 57 TYR H H 57 7.911 7.911 7.595 0.316 18269
2164 1 5 . 1 1 58 58 TYR N N 58 121.916 121.916 116.234 5.682 18269
2165 1 5 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.356 0.019 18269
2166 1 5 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.005 -0.996 18269
2167 1 5 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.422 -0.398 18269
2168 1 5 . 1 1 58 58 TYR H H 58 8.334 8.334 7.274 1.060 18269
2169 1 5 . 1 1 59 59 LEU N N 59 114.461 114.461 116.659 -2.198 18269
2170 1 5 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.012 0.108 18269
2171 1 5 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.327 -1.098 18269
2172 1 5 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.487 -0.442 18269
2173 1 5 . 1 1 59 59 LEU H H 59 8.079 8.079 8.138 -0.059 18269
2174 1 5 . 1 1 60 60 GLY N N 60 102.559 102.559 103.960 -1.401 18269
2175 1 5 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.245 0.327 18269
2176 1 5 . 1 1 60 60 GLY H H 60 7.562 7.562 8.027 -0.465 18269
2177 1 5 . 1 1 61 61 ALA N N 61 120.327 120.327 126.052 -5.725 18269
2178 1 5 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.323 0.078 18269
2179 1 5 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.572 -0.306 18269
2180 1 5 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.883 2.454 18269
2181 1 5 . 1 1 61 61 ALA H H 61 7.995 7.995 7.615 0.380 18269
2182 1 5 . 1 1 62 62 THR N N 62 106.895 106.895 114.173 -7.278 18269
2183 1 5 . 1 1 62 62 THR HA H 62 4.518 4.518 4.228 0.290 18269
2184 1 5 . 1 1 62 62 THR CA C 62 59.982 59.982 61.601 -1.619 18269
2185 1 5 . 1 1 62 62 THR CB C 62 70.540 70.540 71.442 -0.902 18269
2186 1 5 . 1 1 62 62 THR H H 62 7.156 7.156 7.644 -0.488 18269
2187 1 5 . 1 1 63 63 LYS N N 63 121.251 121.251 123.528 -2.277 18269
2188 1 5 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.221 -0.124 18269
2189 1 5 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.645 0.627 18269
2190 1 5 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.214 -0.059 18269
2191 1 5 . 1 1 63 63 LYS H H 63 8.626 8.626 8.729 -0.103 18269
2192 1 5 . 1 1 64 64 ASP N N 64 116.607 116.607 117.496 -0.889 18269
2193 1 5 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.679 -0.122 18269
2194 1 5 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.750 0.152 18269
2195 1 5 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.646 -1.540 18269
2196 1 5 . 1 1 64 64 ASP H H 64 8.441 8.441 7.898 0.543 18269
2197 1 5 . 1 1 65 65 ALA N N 65 122.486 122.486 122.070 0.416 18269
2198 1 5 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.608 -0.523 18269
2199 1 5 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.576 1.973 18269
2200 1 5 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.129 -1.572 18269
2201 1 5 . 1 1 65 65 ALA H H 65 7.368 7.368 7.507 -0.139 18269
2202 1 5 . 1 1 66 66 ALA N N 66 124.171 124.171 120.820 3.351 18269
2203 1 5 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.430 0.014 18269
2204 1 5 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.655 0.816 18269
2205 1 5 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.273 -0.008 18269
2206 1 5 . 1 1 66 66 ALA H H 66 8.300 8.300 8.598 -0.298 18269
2207 1 5 . 1 1 67 67 THR N N 67 111.638 111.638 115.932 -4.294 18269
2208 1 5 . 1 1 67 67 THR HA H 67 4.496 4.496 4.179 0.317 18269
2209 1 5 . 1 1 67 67 THR CA C 67 60.881 60.881 64.567 -3.686 18269
2210 1 5 . 1 1 67 67 THR CB C 67 70.199 70.199 68.996 1.203 18269
2211 1 5 . 1 1 67 67 THR H H 67 7.730 7.730 8.376 -0.646 18269
2212 1 5 . 1 1 68 68 LYS N N 68 121.732 121.732 121.049 0.683 18269
2213 1 5 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.221 0.315 18269
2214 1 5 . 1 1 68 68 LYS CA C 68 56.562 56.562 57.893 -1.331 18269
2215 1 5 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.731 1.368 18269
2216 1 5 . 1 1 68 68 LYS H H 68 8.502 8.502 8.446 0.056 18269
2217 1 5 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.048 0.291 18269
2218 1 5 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.371 -0.665 18269
2219 1 5 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.030 -0.230 18269
2220 1 5 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.042 0.089 18269
2221 1 5 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.297 1.319 18269
2222 1 5 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.627 0.111 18269
2223 1 5 . 1 1 71 71 SER HA H 71 4.817 4.817 4.284 0.533 18269
2224 1 5 . 1 1 71 71 SER CA C 71 60.667 60.667 60.591 0.076 18269
2225 1 5 . 1 1 71 71 SER CB C 71 62.646 62.646 62.932 -0.286 18269
2226 1 5 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.194 0.070 18269
2227 1 5 . 1 1 72 72 GLU CA C 72 56.629 56.629 57.884 -1.255 18269
2228 1 5 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.332 -1.085 18269
2229 1 5 . 1 1 73 73 VAL N N 73 114.786 114.786 117.811 -3.025 18269
2230 1 5 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.965 0.137 18269
2231 1 5 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.626 -1.885 18269
2232 1 5 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.224 1.042 18269
2233 1 5 . 1 1 73 73 VAL H H 73 7.812 7.812 7.383 0.429 18269
2234 1 5 . 1 1 74 74 THR HA H 74 3.767 3.767 3.937 -0.170 18269
2235 1 5 . 1 1 74 74 THR CA C 74 65.584 65.584 66.323 -0.740 18269
2236 1 5 . 1 1 74 74 THR CB C 74 67.470 67.470 68.523 -1.053 18269
2237 1 5 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.110 0.136 18269
2238 1 5 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.279 1.104 18269
2239 1 5 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.647 0.973 18269
2240 1 5 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.435 0.050 18269
2241 1 5 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.957 0.740 18269
2242 1 5 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.394 -0.499 18269
2243 1 5 . 1 1 77 77 MET N N 77 117.583 117.583 114.636 2.947 18269
2244 1 5 . 1 1 77 77 MET HA H 77 4.684 4.684 4.499 0.185 18269
2245 1 5 . 1 1 77 77 MET CA C 77 59.347 59.347 56.038 3.308 18269
2246 1 5 . 1 1 77 77 MET CB C 77 32.996 32.996 31.510 1.486 18269
2247 1 5 . 1 1 77 77 MET H H 77 7.685 7.685 7.573 0.112 18269
2248 1 5 . 1 1 78 78 SER N N 78 114.578 114.578 113.397 1.181 18269
2249 1 5 . 1 1 78 78 SER HA H 78 4.226 4.226 4.117 0.109 18269
2250 1 5 . 1 1 78 78 SER CA C 78 61.922 61.922 59.383 2.539 18269
2251 1 5 . 1 1 78 78 SER CB C 78 62.406 62.406 63.895 -1.489 18269
2252 1 5 . 1 1 78 78 SER H H 78 8.285 8.285 7.668 0.617 18269
2253 1 5 . 1 1 79 79 VAL N N 79 111.248 111.248 117.872 -6.624 18269
2254 1 5 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.252 0.499 18269
2255 1 5 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.664 -0.538 18269
2256 1 5 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.907 -4.561 18269
2257 1 5 . 1 1 79 79 VAL H H 79 7.004 7.004 6.989 0.015 18269
2258 1 5 . 1 1 80 80 HIS N N 80 116.703 116.703 124.870 -8.167 18269
2259 1 5 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.853 -0.737 18269
2260 1 5 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.923 -0.097 18269
2261 1 5 . 1 1 80 80 HIS CB C 80 25.889 25.889 28.688 -2.799 18269
2262 1 5 . 1 1 80 80 HIS H H 80 8.289 8.289 8.663 -0.374 18269
2263 1 5 . 1 1 81 81 MET N N 81 120.978 120.978 124.420 -3.442 18269
2264 1 5 . 1 1 81 81 MET HA H 81 4.512 4.512 4.823 -0.311 18269
2265 1 5 . 1 1 81 81 MET CA C 81 55.007 55.007 52.478 2.529 18269
2266 1 5 . 1 1 81 81 MET CB C 81 33.265 33.265 33.883 -0.619 18269
2267 1 5 . 1 1 81 81 MET H H 81 8.006 8.006 7.915 0.091 18269
2268 1 5 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.097 0.244 18269
2269 1 5 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.832 -1.595 18269
2270 1 5 . 1 1 82 82 PRO CB C 82 32.663 32.663 31.037 1.626 18269
2271 1 5 . 1 1 83 83 ALA N N 83 126.545 126.545 120.098 6.447 18269
2272 1 5 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.857 0.089 18269
2273 1 5 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.971 1.002 18269
2274 1 5 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.471 1.004 18269
2275 1 5 . 1 1 83 83 ALA H H 83 9.196 9.196 7.877 1.319 18269
2276 1 5 . 1 1 84 84 MET N N 84 114.734 114.734 116.486 -1.752 18269
2277 1 5 . 1 1 84 84 MET HA H 84 4.024 4.024 4.440 -0.416 18269
2278 1 5 . 1 1 84 84 MET CA C 84 58.812 58.812 57.941 0.871 18269
2279 1 5 . 1 1 84 84 MET CB C 84 32.242 32.242 32.048 0.194 18269
2280 1 5 . 1 1 84 84 MET H H 84 9.289 9.289 7.899 1.390 18269
2281 1 5 . 1 1 85 85 LYS N N 85 116.490 116.490 120.921 -4.431 18269
2282 1 5 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.300 -0.126 18269
2283 1 5 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.710 -0.594 18269
2284 1 5 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.517 0.276 18269
2285 1 5 . 1 1 85 85 LYS H H 85 6.997 6.997 7.687 -0.690 18269
2286 1 5 . 1 1 86 86 ILE N N 86 120.561 120.561 120.113 0.448 18269
2287 1 5 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.770 -0.155 18269
2288 1 5 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.401 1.877 18269
2289 1 5 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.683 -0.163 18269
2290 1 5 . 1 1 86 86 ILE H H 86 7.875 7.875 8.033 -0.158 18269
2291 1 5 . 1 1 87 87 CYS N N 87 117.323 117.323 117.602 -0.279 18269
2292 1 5 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.299 -0.223 18269
2293 1 5 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.557 -0.497 18269
2294 1 5 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.506 17.227 18269
2295 1 5 . 1 1 87 87 CYS H H 87 8.643 8.643 7.996 0.647 18269
2296 1 5 . 1 1 88 88 GLU N N 88 118.070 118.070 121.110 -3.040 18269
2297 1 5 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.118 -0.170 18269
2298 1 5 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.820 0.943 18269
2299 1 5 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.523 0.241 18269
2300 1 5 . 1 1 88 88 GLU H H 88 8.045 8.045 7.813 0.232 18269
2301 1 5 . 1 1 89 89 LYS N N 89 119.719 119.719 121.960 -2.241 18269
2302 1 5 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.093 0.045 18269
2303 1 5 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.176 -0.046 18269
2304 1 5 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.490 -0.788 18269
2305 1 5 . 1 1 89 89 LYS H H 89 7.530 7.530 8.301 -0.771 18269
2306 1 5 . 1 1 90 90 LEU N N 90 119.550 119.550 118.943 0.607 18269
2307 1 5 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.096 -0.131 18269
2308 1 5 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.715 0.628 18269
2309 1 5 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.652 -0.661 18269
2310 1 5 . 1 1 90 90 LEU H H 90 8.422 8.422 8.608 -0.186 18269
2311 1 5 . 1 1 91 91 LYS N N 91 119.180 119.180 118.597 0.583 18269
2312 1 5 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.175 -0.313 18269
2313 1 5 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.449 0.156 18269
2314 1 5 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.993 0.484 18269
2315 1 5 . 1 1 91 91 LYS H H 91 8.218 8.218 7.512 0.706 18269
2316 1 5 . 1 1 92 92 LYS N N 92 113.632 113.632 118.153 -4.521 18269
2317 1 5 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.084 -0.031 18269
2318 1 5 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.487 -0.929 18269
2319 1 5 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.391 -0.457 18269
2320 1 5 . 1 1 92 92 LYS H H 92 6.984 6.984 7.528 -0.544 18269
2321 1 5 . 1 1 93 93 LEU N N 93 119.104 119.104 118.804 0.300 18269
2322 1 5 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.328 -0.038 18269
2323 1 5 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.422 -0.318 18269
2324 1 5 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.312 -1.210 18269
2325 1 5 . 1 1 93 93 LEU H H 93 7.456 7.456 7.619 -0.163 18269
2326 1 5 . 1 1 94 94 ASP N N 94 116.790 116.790 116.369 0.421 18269
2327 1 5 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.699 -0.143 18269
2328 1 5 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.173 0.193 18269
2329 1 5 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.102 -0.929 18269
2330 1 5 . 1 1 94 94 ASP H H 94 7.911 7.911 8.223 -0.312 18269
2331 1 5 . 1 1 95 95 SER N N 95 122.399 122.399 120.157 2.242 18269
2332 1 5 . 1 1 95 95 SER HA H 95 4.186 4.186 4.311 -0.125 18269
2333 1 5 . 1 1 95 95 SER CA C 95 61.472 61.472 60.464 1.008 18269
2334 1 5 . 1 1 95 95 SER CB C 95 62.568 62.568 63.474 -0.906 18269
2335 1 5 . 1 1 95 95 SER H H 95 8.894 8.894 8.697 0.197 18269
2336 1 5 . 1 1 96 96 GLN N N 96 120.800 120.800 123.184 -2.384 18269
2337 1 5 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.298 -0.436 18269
2338 1 5 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.249 -0.098 18269
2339 1 5 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.511 0.906 18269
2340 1 5 . 1 1 96 96 GLN H H 96 8.610 8.610 8.142 0.468 18269
2341 1 5 . 1 1 97 97 ILE N N 97 117.387 117.387 121.286 -3.899 18269
2342 1 5 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.564 -0.165 18269
2343 1 5 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.455 1.376 18269
2344 1 5 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.701 0.573 18269
2345 1 5 . 1 1 97 97 ILE H H 97 7.470 7.470 8.053 -0.583 18269
2346 1 5 . 1 1 98 98 CYS N N 98 113.485 113.485 114.813 -1.328 18269
2347 1 5 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.303 0.768 18269
2348 1 5 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.547 2.426 18269
2349 1 5 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.561 22.025 18269
2350 1 5 . 1 1 98 98 CYS H H 98 7.410 7.410 7.565 -0.155 18269
2351 1 5 . 1 1 99 99 GLU N N 99 119.123 119.123 118.581 0.542 18269
2352 1 5 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.310 0.013 18269
2353 1 5 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.630 1.096 18269
2354 1 5 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.910 1.069 18269
2355 1 5 . 1 1 99 99 GLU H H 99 7.308 7.308 7.588 -0.280 18269
2356 1 5 . 1 1 100 100 LEU N N 100 115.771 115.771 121.725 -5.954 18269
2357 1 5 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.989 0.308 18269
2358 1 5 . 1 1 100 100 LEU CA C 100 55.682 55.682 57.113 -1.431 18269
2359 1 5 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.846 1.115 18269
2360 1 5 . 1 1 100 100 LEU H H 100 6.496 6.496 7.341 -0.845 18269
2361 1 5 . 1 1 101 101 LYS N N 101 125.672 125.672 111.960 13.712 18269
2362 1 5 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.896 0.698 18269
2363 1 5 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.502 -1.152 18269
2364 1 5 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.683 4.040 18269
2365 1 5 . 1 1 101 101 LYS H H 101 8.575 8.575 8.103 0.472 18269
2366 1 5 . 1 1 102 102 TYR N N 102 120.395 120.395 122.836 -2.441 18269
2367 1 5 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.306 0.076 18269
2368 1 5 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.410 0.614 18269
2369 1 5 . 1 1 102 102 TYR CB C 102 38.328 38.328 37.799 0.529 18269
2370 1 5 . 1 1 102 102 TYR H H 102 8.756 8.756 8.609 0.147 18269
2371 1 5 . 1 1 103 103 GLU N N 103 121.550 121.550 122.109 -0.559 18269
2372 1 5 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.139 0.253 18269
2373 1 5 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.384 -1.057 18269
2374 1 5 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.449 2.853 18269
2375 1 5 . 1 1 103 103 GLU H H 103 8.835 8.835 9.049 -0.214 18269
2376 1 5 . 1 1 104 104 LYS N N 104 122.957 122.957 116.740 6.217 18269
2377 1 5 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.911 0.550 18269
2378 1 5 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.588 -1.314 18269
2379 1 5 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.518 1.529 18269
2380 1 5 . 1 1 104 104 LYS H H 104 8.490 8.490 8.127 0.363 18269
2381 1 6 . 1 1 2 2 GLU N N 2 121.590 121.590 119.195 2.395 18269
2382 1 6 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.058 0.236 18269
2383 1 6 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.067 -0.550 18269
2384 1 6 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.921 0.230 18269
2385 1 6 . 1 1 2 2 GLU H H 2 8.621 8.621 8.520 0.101 18269
2386 1 6 . 1 1 3 3 ALA N N 3 125.815 125.815 122.106 3.709 18269
2387 1 6 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.386 -0.020 18269
2388 1 6 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.285 0.372 18269
2389 1 6 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.343 -1.396 18269
2390 1 6 . 1 1 3 3 ALA H H 3 8.598 8.598 8.515 0.083 18269
2391 1 6 . 1 1 4 4 GLY N N 4 108.386 108.386 107.434 0.952 18269
2392 1 6 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.280 -0.143 18269
2393 1 6 . 1 1 4 4 GLY H H 4 8.487 8.487 8.504 -0.017 18269
2394 1 6 . 1 1 5 5 GLY N N 5 108.367 108.367 108.337 0.030 18269
2395 1 6 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.852 -0.098 18269
2396 1 6 . 1 1 5 5 GLY H H 5 8.274 8.274 8.766 -0.492 18269
2397 1 6 . 1 1 6 6 ARG N N 6 121.577 121.577 118.763 2.814 18269
2398 1 6 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.013 0.662 18269
2399 1 6 . 1 1 6 6 ARG CA C 6 53.881 53.881 56.283 -2.402 18269
2400 1 6 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.056 1.079 18269
2401 1 6 . 1 1 6 6 ARG H H 6 8.297 8.297 8.448 -0.151 18269
2402 1 6 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.710 -0.220 18269
2403 1 6 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.706 1.647 18269
2404 1 6 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.695 0.352 18269
2405 1 6 . 1 1 8 8 GLY N N 8 109.658 109.658 108.119 1.539 18269
2406 1 6 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.006 0.082 18269
2407 1 6 . 1 1 8 8 GLY H H 8 8.660 8.660 8.075 0.585 18269
2408 1 6 . 1 1 9 9 ALA N N 9 123.995 123.995 121.462 2.533 18269
2409 1 6 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.485 -0.045 18269
2410 1 6 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.499 -0.702 18269
2411 1 6 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.190 0.089 18269
2412 1 6 . 1 1 9 9 ALA H H 9 8.200 8.200 7.456 0.744 18269
2413 1 6 . 1 1 10 10 ASP N N 10 119.834 119.834 119.485 0.349 18269
2414 1 6 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.739 -0.082 18269
2415 1 6 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.306 0.234 18269
2416 1 6 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.353 -0.847 18269
2417 1 6 . 1 1 10 10 ASP H H 10 8.290 8.290 8.479 -0.189 18269
2418 1 6 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.425 0.205 18269
2419 1 6 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.888 -5.130 18269
2420 1 6 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.489 14.971 18269
2421 1 6 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.962 0.001 18269
2422 1 6 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.326 1.051 18269
2423 1 6 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.680 1.575 18269
2424 1 6 . 1 1 13 13 VAL N N 13 117.224 117.224 118.153 -0.929 18269
2425 1 6 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.645 0.101 18269
2426 1 6 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.004 -0.958 18269
2427 1 6 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.347 -0.129 18269
2428 1 6 . 1 1 13 13 VAL H H 13 7.040 7.040 8.393 -1.353 18269
2429 1 6 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.150 -0.065 18269
2430 1 6 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.766 -0.321 18269
2431 1 6 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.660 15.559 18269
2432 1 6 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.003 0.056 18269
2433 1 6 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.364 -2.793 18269
2434 1 6 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.141 0.109 18269
2435 1 6 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.131 0.200 18269
2436 1 6 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.411 -0.237 18269
2437 1 6 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.490 -0.084 18269
2438 1 6 . 1 1 16 16 GLU H H 16 8.098 8.098 7.868 0.230 18269
2439 1 6 . 1 1 17 17 PHE N N 17 120.745 120.745 121.184 -0.439 18269
2440 1 6 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.450 -0.135 18269
2441 1 6 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.021 0.493 18269
2442 1 6 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.279 1.234 18269
2443 1 6 . 1 1 17 17 PHE H H 17 9.126 9.126 7.922 1.204 18269
2444 1 6 . 1 1 18 18 LEU N N 18 115.787 115.787 119.451 -3.664 18269
2445 1 6 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.942 0.201 18269
2446 1 6 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.527 -0.650 18269
2447 1 6 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.557 -0.605 18269
2448 1 6 . 1 1 18 18 LEU H H 18 8.505 8.505 8.645 -0.140 18269
2449 1 6 . 1 1 19 19 ASN N N 19 117.635 117.635 117.152 0.483 18269
2450 1 6 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.361 0.515 18269
2451 1 6 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.782 -0.308 18269
2452 1 6 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.898 -0.570 18269
2453 1 6 . 1 1 19 19 ASN H H 19 8.405 8.405 8.749 -0.344 18269
2454 1 6 . 1 1 20 20 ARG N N 20 122.851 122.851 119.511 3.340 18269
2455 1 6 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.032 0.085 18269
2456 1 6 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.542 0.747 18269
2457 1 6 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.123 0.332 18269
2458 1 6 . 1 1 20 20 ARG H H 20 8.325 8.325 8.043 0.282 18269
2459 1 6 . 1 1 21 21 PHE N N 21 121.774 121.774 121.775 -0.001 18269
2460 1 6 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.873 0.407 18269
2461 1 6 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.616 -1.605 18269
2462 1 6 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.189 -0.178 18269
2463 1 6 . 1 1 21 21 PHE H H 21 8.438 8.438 8.389 0.049 18269
2464 1 6 . 1 1 22 22 TYR N N 22 119.937 119.937 120.711 -0.774 18269
2465 1 6 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.685 0.104 18269
2466 1 6 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.346 -0.695 18269
2467 1 6 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.413 -0.140 18269
2468 1 6 . 1 1 22 22 TYR H H 22 8.708 8.708 8.531 0.177 18269
2469 1 6 . 1 1 23 23 LYS N N 23 116.431 116.431 116.961 -0.530 18269
2470 1 6 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.950 -0.091 18269
2471 1 6 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.661 0.482 18269
2472 1 6 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.373 0.844 18269
2473 1 6 . 1 1 23 23 LYS H H 23 7.928 7.928 8.437 -0.509 18269
2474 1 6 . 1 1 24 24 SER N N 24 113.888 113.888 117.746 -3.858 18269
2475 1 6 . 1 1 24 24 SER HA H 24 4.325 4.325 4.151 0.174 18269
2476 1 6 . 1 1 24 24 SER CA C 24 61.016 61.016 62.126 -1.110 18269
2477 1 6 . 1 1 24 24 SER CB C 24 62.837 62.837 62.795 0.042 18269
2478 1 6 . 1 1 24 24 SER H H 24 7.665 7.665 7.992 -0.327 18269
2479 1 6 . 1 1 25 25 LEU N N 25 119.663 119.663 122.714 -3.051 18269
2480 1 6 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.806 -0.127 18269
2481 1 6 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.267 -0.762 18269
2482 1 6 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.046 0.856 18269
2483 1 6 . 1 1 25 25 LEU H H 25 7.573 7.573 8.029 -0.456 18269
2484 1 6 . 1 1 26 26 ILE N N 26 119.781 119.781 118.345 1.436 18269
2485 1 6 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.590 0.266 18269
2486 1 6 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.663 -0.114 18269
2487 1 6 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.234 1.071 18269
2488 1 6 . 1 1 26 26 ILE H H 26 8.094 8.094 7.426 0.668 18269
2489 1 6 . 1 1 27 27 ASP N N 27 122.421 122.421 120.477 1.944 18269
2490 1 6 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.364 0.012 18269
2491 1 6 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.789 0.231 18269
2492 1 6 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.217 -1.137 18269
2493 1 6 . 1 1 27 27 ASP H H 27 9.091 9.091 8.097 0.994 18269
2494 1 6 . 1 1 28 28 ARG N N 28 115.349 115.349 117.718 -2.369 18269
2495 1 6 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.180 0.125 18269
2496 1 6 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.728 -0.230 18269
2497 1 6 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.664 0.949 18269
2498 1 6 . 1 1 28 28 ARG H H 28 7.587 7.587 8.331 -0.744 18269
2499 1 6 . 1 1 29 29 GLY N N 29 109.999 109.999 107.731 2.268 18269
2500 1 6 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.155 1.506 18269
2501 1 6 . 1 1 29 29 GLY H H 29 7.909 7.909 7.753 0.156 18269
2502 1 6 . 1 1 30 30 VAL N N 30 118.740 118.740 120.316 -1.576 18269
2503 1 6 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.397 -0.638 18269
2504 1 6 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.095 1.375 18269
2505 1 6 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.331 -0.005 18269
2506 1 6 . 1 1 30 30 VAL H H 30 7.701 7.701 8.069 -0.368 18269
2507 1 6 . 1 1 31 31 ASN N N 31 123.250 123.250 124.648 -1.398 18269
2508 1 6 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.715 -0.002 18269
2509 1 6 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.657 0.831 18269
2510 1 6 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.283 -1.072 18269
2511 1 6 . 1 1 31 31 ASN H H 31 8.498 8.498 8.143 0.355 18269
2512 1 6 . 1 1 32 32 PHE N N 32 126.076 126.076 114.716 11.360 18269
2513 1 6 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.268 -0.130 18269
2514 1 6 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.123 -0.476 18269
2515 1 6 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.632 -0.853 18269
2516 1 6 . 1 1 32 32 PHE H H 32 8.783 8.783 8.114 0.669 18269
2517 1 6 . 1 1 33 33 SER N N 33 115.958 115.958 113.755 2.203 18269
2518 1 6 . 1 1 33 33 SER HA H 33 4.736 4.736 4.740 -0.004 18269
2519 1 6 . 1 1 33 33 SER CA C 33 56.745 56.745 57.389 -0.644 18269
2520 1 6 . 1 1 33 33 SER CB C 33 64.899 64.899 64.269 0.630 18269
2521 1 6 . 1 1 33 33 SER H H 33 7.699 7.699 7.768 -0.069 18269
2522 1 6 . 1 1 34 34 LEU N N 34 124.359 124.359 127.168 -2.809 18269
2523 1 6 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.019 -0.166 18269
2524 1 6 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.345 1.326 18269
2525 1 6 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.728 -0.182 18269
2526 1 6 . 1 1 34 34 LEU H H 34 8.935 8.935 8.828 0.107 18269
2527 1 6 . 1 1 35 35 ASP N N 35 115.345 115.345 116.769 -1.424 18269
2528 1 6 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.664 -0.286 18269
2529 1 6 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.320 -0.462 18269
2530 1 6 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.215 -0.055 18269
2531 1 6 . 1 1 35 35 ASP H H 35 8.575 8.575 8.643 -0.068 18269
2532 1 6 . 1 1 36 36 THR N N 36 116.789 116.789 116.697 0.092 18269
2533 1 6 . 1 1 36 36 THR HA H 36 4.015 4.015 4.206 -0.191 18269
2534 1 6 . 1 1 36 36 THR CA C 36 66.069 66.069 66.224 -0.155 18269
2535 1 6 . 1 1 36 36 THR CB C 36 68.780 68.780 68.796 -0.016 18269
2536 1 6 . 1 1 36 36 THR H H 36 7.593 7.593 7.436 0.157 18269
2537 1 6 . 1 1 37 37 ILE N N 37 120.685 120.685 121.297 -0.612 18269
2538 1 6 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.831 -0.462 18269
2539 1 6 . 1 1 37 37 ILE CA C 37 65.800 65.800 62.824 2.976 18269
2540 1 6 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.113 0.978 18269
2541 1 6 . 1 1 37 37 ILE H H 37 8.436 8.436 8.373 0.063 18269
2542 1 6 . 1 1 38 38 GLU N N 38 118.792 118.792 118.046 0.746 18269
2543 1 6 . 1 1 38 38 GLU HA H 38 3.678 3.678 4.075 -0.397 18269
2544 1 6 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.062 1.998 18269
2545 1 6 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.260 0.611 18269
2546 1 6 . 1 1 38 38 GLU H H 38 8.122 8.122 8.048 0.074 18269
2547 1 6 . 1 1 39 39 LYS N N 39 116.986 116.986 119.462 -2.476 18269
2548 1 6 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.289 -0.328 18269
2549 1 6 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.482 1.264 18269
2550 1 6 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.819 -0.509 18269
2551 1 6 . 1 1 39 39 LYS H H 39 7.586 7.586 7.465 0.121 18269
2552 1 6 . 1 1 40 40 GLU N N 40 117.892 117.892 120.218 -2.326 18269
2553 1 6 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.310 -0.105 18269
2554 1 6 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.367 -0.008 18269
2555 1 6 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.412 -0.833 18269
2556 1 6 . 1 1 40 40 GLU H H 40 8.690 8.690 8.120 0.570 18269
2557 1 6 . 1 1 41 41 LEU N N 41 125.830 125.830 120.701 5.129 18269
2558 1 6 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.888 -0.341 18269
2559 1 6 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.098 -0.270 18269
2560 1 6 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.830 -1.492 18269
2561 1 6 . 1 1 41 41 LEU H H 41 8.978 8.978 8.575 0.403 18269
2562 1 6 . 1 1 42 42 ILE N N 42 119.900 119.900 120.079 -0.179 18269
2563 1 6 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.949 -0.365 18269
2564 1 6 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.823 1.009 18269
2565 1 6 . 1 1 42 42 ILE CB C 42 37.790 37.790 38.117 -0.327 18269
2566 1 6 . 1 1 42 42 ILE H H 42 7.884 7.884 7.634 0.250 18269
2567 1 6 . 1 1 43 43 SER N N 43 114.071 114.071 116.956 -2.885 18269
2568 1 6 . 1 1 43 43 SER HA H 43 4.277 4.277 4.147 0.130 18269
2569 1 6 . 1 1 43 43 SER CA C 43 61.598 61.598 61.906 -0.308 18269
2570 1 6 . 1 1 43 43 SER CB C 43 62.767 62.767 63.208 -0.441 18269
2571 1 6 . 1 1 43 43 SER H H 43 7.791 7.791 8.318 -0.527 18269
2572 1 6 . 1 1 44 44 PHE N N 44 125.036 125.036 122.167 2.869 18269
2573 1 6 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.504 -0.175 18269
2574 1 6 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.268 -0.011 18269
2575 1 6 . 1 1 44 44 PHE CB C 44 40.631 40.631 40.002 0.629 18269
2576 1 6 . 1 1 44 44 PHE H H 44 9.060 9.060 8.680 0.380 18269
2577 1 6 . 1 1 45 45 CYS N N 45 112.824 112.824 119.326 -6.502 18269
2578 1 6 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.904 -0.298 18269
2579 1 6 . 1 1 45 45 CYS CA C 45 59.236 59.236 60.289 -1.053 18269
2580 1 6 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.106 16.517 18269
2581 1 6 . 1 1 45 45 CYS H H 45 8.254 8.254 8.365 -0.111 18269
2582 1 6 . 1 1 46 46 LEU N N 46 123.875 123.875 121.728 2.147 18269
2583 1 6 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.387 -0.212 18269
2584 1 6 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.191 0.959 18269
2585 1 6 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.480 -0.228 18269
2586 1 6 . 1 1 46 46 LEU H H 46 7.776 7.776 7.965 -0.189 18269
2587 1 6 . 1 1 47 47 ASP N N 47 116.880 116.880 119.828 -2.948 18269
2588 1 6 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.641 0.269 18269
2589 1 6 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.563 -0.978 18269
2590 1 6 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.827 0.548 18269
2591 1 6 . 1 1 47 47 ASP H H 47 7.852 7.852 7.954 -0.102 18269
2592 1 6 . 1 1 48 48 THR N N 48 108.053 108.053 113.984 -5.931 18269
2593 1 6 . 1 1 48 48 THR HA H 48 4.461 4.461 4.409 0.052 18269
2594 1 6 . 1 1 48 48 THR CA C 48 60.844 60.844 60.598 0.246 18269
2595 1 6 . 1 1 48 48 THR CB C 48 73.395 73.395 70.797 2.598 18269
2596 1 6 . 1 1 48 48 THR H H 48 7.139 7.139 7.909 -0.770 18269
2597 1 6 . 1 1 49 49 LYS N N 49 118.308 118.308 119.670 -1.362 18269
2598 1 6 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.687 0.031 18269
2599 1 6 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.426 -0.382 18269
2600 1 6 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.696 2.874 18269
2601 1 6 . 1 1 49 49 LYS H H 49 8.755 8.755 9.535 -0.780 18269
2602 1 6 . 1 1 50 50 GLY N N 50 108.996 108.996 110.210 -1.214 18269
2603 1 6 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.886 -1.043 18269
2604 1 6 . 1 1 50 50 GLY H H 50 8.866 8.866 8.664 0.202 18269
2605 1 6 . 1 1 51 51 LYS N N 51 126.155 126.155 121.588 4.567 18269
2606 1 6 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.042 -0.072 18269
2607 1 6 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.903 -0.793 18269
2608 1 6 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.025 0.594 18269
2609 1 6 . 1 1 51 51 LYS H H 51 9.254 9.254 8.705 0.549 18269
2610 1 6 . 1 1 52 52 GLU N N 52 116.496 116.496 119.260 -2.764 18269
2611 1 6 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.150 -0.627 18269
2612 1 6 . 1 1 52 52 GLU CA C 52 59.390 59.390 58.927 0.463 18269
2613 1 6 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.719 -1.033 18269
2614 1 6 . 1 1 52 52 GLU H H 52 8.223 8.223 8.036 0.187 18269
2615 1 6 . 1 1 53 53 ASN N N 53 119.000 119.000 119.621 -0.621 18269
2616 1 6 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.826 -0.442 18269
2617 1 6 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.891 1.087 18269
2618 1 6 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.725 0.721 18269
2619 1 6 . 1 1 53 53 ASN H H 53 6.840 6.840 8.797 -1.957 18269
2620 1 6 . 1 1 54 54 ARG N N 54 118.480 118.480 119.403 -0.923 18269
2621 1 6 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.405 -0.636 18269
2622 1 6 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.771 -0.374 18269
2623 1 6 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.973 -1.233 18269
2624 1 6 . 1 1 54 54 ARG H H 54 7.456 7.456 8.281 -0.825 18269
2625 1 6 . 1 1 55 55 LEU N N 55 118.688 118.688 121.670 -2.982 18269
2626 1 6 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.239 -0.431 18269
2627 1 6 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.678 0.781 18269
2628 1 6 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.577 -1.457 18269
2629 1 6 . 1 1 55 55 LEU H H 55 7.843 7.843 7.886 -0.043 18269
2630 1 6 . 1 1 56 56 CYS N N 56 115.905 115.905 118.588 -2.683 18269
2631 1 6 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.855 0.018 18269
2632 1 6 . 1 1 56 56 CYS CA C 56 63.037 63.037 62.569 0.468 18269
2633 1 6 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.351 16.554 18269
2634 1 6 . 1 1 56 56 CYS H H 56 7.752 7.752 7.953 -0.201 18269
2635 1 6 . 1 1 57 57 TYR N N 57 121.810 121.810 116.859 4.951 18269
2636 1 6 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.392 -0.249 18269
2637 1 6 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.696 0.619 18269
2638 1 6 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.414 -0.360 18269
2639 1 6 . 1 1 57 57 TYR H H 57 7.911 7.911 8.038 -0.127 18269
2640 1 6 . 1 1 58 58 TYR N N 58 121.916 121.916 117.640 4.276 18269
2641 1 6 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.245 0.130 18269
2642 1 6 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.802 -1.793 18269
2643 1 6 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.893 -0.869 18269
2644 1 6 . 1 1 58 58 TYR H H 58 8.334 8.334 7.449 0.885 18269
2645 1 6 . 1 1 59 59 LEU N N 59 114.461 114.461 115.217 -0.756 18269
2646 1 6 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.015 0.105 18269
2647 1 6 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.917 -0.688 18269
2648 1 6 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.993 0.052 18269
2649 1 6 . 1 1 59 59 LEU H H 59 8.079 8.079 8.363 -0.284 18269
2650 1 6 . 1 1 60 60 GLY N N 60 102.559 102.559 104.032 -1.473 18269
2651 1 6 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.042 0.530 18269
2652 1 6 . 1 1 60 60 GLY H H 60 7.562 7.562 7.694 -0.132 18269
2653 1 6 . 1 1 61 61 ALA N N 61 120.327 120.327 121.276 -0.949 18269
2654 1 6 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.389 0.012 18269
2655 1 6 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.595 -0.330 18269
2656 1 6 . 1 1 61 61 ALA CB C 61 20.337 20.337 19.551 0.786 18269
2657 1 6 . 1 1 61 61 ALA H H 61 7.995 7.995 8.017 -0.022 18269
2658 1 6 . 1 1 62 62 THR N N 62 106.895 106.895 110.451 -3.556 18269
2659 1 6 . 1 1 62 62 THR HA H 62 4.518 4.518 4.508 0.010 18269
2660 1 6 . 1 1 62 62 THR CA C 62 59.982 59.982 59.901 0.081 18269
2661 1 6 . 1 1 62 62 THR CB C 62 70.540 70.540 71.303 -0.763 18269
2662 1 6 . 1 1 62 62 THR H H 62 7.156 7.156 7.384 -0.228 18269
2663 1 6 . 1 1 63 63 LYS N N 63 121.251 121.251 124.439 -3.188 18269
2664 1 6 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.158 -0.061 18269
2665 1 6 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.437 -0.165 18269
2666 1 6 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.304 -0.149 18269
2667 1 6 . 1 1 63 63 LYS H H 63 8.626 8.626 8.590 0.036 18269
2668 1 6 . 1 1 64 64 ASP N N 64 116.607 116.607 115.393 1.214 18269
2669 1 6 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.548 0.009 18269
2670 1 6 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.905 -1.003 18269
2671 1 6 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.164 -1.058 18269
2672 1 6 . 1 1 64 64 ASP H H 64 8.441 8.441 7.761 0.680 18269
2673 1 6 . 1 1 65 65 ALA N N 65 122.486 122.486 120.928 1.558 18269
2674 1 6 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.636 -0.551 18269
2675 1 6 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.041 1.508 18269
2676 1 6 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.731 -1.174 18269
2677 1 6 . 1 1 65 65 ALA H H 65 7.368 7.368 7.296 0.072 18269
2678 1 6 . 1 1 66 66 ALA N N 66 124.171 124.171 121.863 2.308 18269
2679 1 6 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.182 0.262 18269
2680 1 6 . 1 1 66 66 ALA CA C 66 52.471 52.471 53.022 -0.551 18269
2681 1 6 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.040 1.225 18269
2682 1 6 . 1 1 66 66 ALA H H 66 8.300 8.300 8.554 -0.254 18269
2683 1 6 . 1 1 67 67 THR N N 67 111.638 111.638 120.017 -8.379 18269
2684 1 6 . 1 1 67 67 THR HA H 67 4.496 4.496 4.212 0.284 18269
2685 1 6 . 1 1 67 67 THR CA C 67 60.881 60.881 64.939 -4.058 18269
2686 1 6 . 1 1 67 67 THR CB C 67 70.199 70.199 69.068 1.131 18269
2687 1 6 . 1 1 67 67 THR H H 67 7.730 7.730 8.233 -0.503 18269
2688 1 6 . 1 1 68 68 LYS N N 68 121.732 121.732 121.617 0.115 18269
2689 1 6 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.153 0.383 18269
2690 1 6 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.710 -2.148 18269
2691 1 6 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.296 0.803 18269
2692 1 6 . 1 1 68 68 LYS H H 68 8.502 8.502 8.117 0.385 18269
2693 1 6 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.812 0.527 18269
2694 1 6 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.187 -1.481 18269
2695 1 6 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.684 0.116 18269
2696 1 6 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.972 0.159 18269
2697 1 6 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.059 0.558 18269
2698 1 6 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.713 0.025 18269
2699 1 6 . 1 1 71 71 SER HA H 71 4.817 4.817 4.201 0.616 18269
2700 1 6 . 1 1 71 71 SER CA C 71 60.667 60.667 61.479 -0.812 18269
2701 1 6 . 1 1 71 71 SER CB C 71 62.646 62.646 62.937 -0.291 18269
2702 1 6 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.193 0.071 18269
2703 1 6 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.719 -2.090 18269
2704 1 6 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.617 -1.370 18269
2705 1 6 . 1 1 73 73 VAL N N 73 114.786 114.786 116.765 -1.979 18269
2706 1 6 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.058 0.044 18269
2707 1 6 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.120 -1.379 18269
2708 1 6 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.240 1.024 18269
2709 1 6 . 1 1 73 73 VAL H H 73 7.812 7.812 7.905 -0.093 18269
2710 1 6 . 1 1 74 74 THR HA H 74 3.767 3.767 3.991 -0.224 18269
2711 1 6 . 1 1 74 74 THR CA C 74 65.584 65.584 66.358 -0.774 18269
2712 1 6 . 1 1 74 74 THR CB C 74 67.470 67.470 68.423 -0.953 18269
2713 1 6 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.168 0.078 18269
2714 1 6 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.191 1.192 18269
2715 1 6 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.046 0.574 18269
2716 1 6 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.301 0.184 18269
2717 1 6 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.383 0.314 18269
2718 1 6 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.530 -0.635 18269
2719 1 6 . 1 1 77 77 MET N N 77 117.583 117.583 114.901 2.682 18269
2720 1 6 . 1 1 77 77 MET HA H 77 4.684 4.684 4.352 0.332 18269
2721 1 6 . 1 1 77 77 MET CA C 77 59.347 59.347 56.292 3.055 18269
2722 1 6 . 1 1 77 77 MET CB C 77 32.996 32.996 31.192 1.804 18269
2723 1 6 . 1 1 77 77 MET H H 77 7.685 7.685 8.610 -0.925 18269
2724 1 6 . 1 1 78 78 SER N N 78 114.578 114.578 113.798 0.780 18269
2725 1 6 . 1 1 78 78 SER HA H 78 4.226 4.226 4.124 0.102 18269
2726 1 6 . 1 1 78 78 SER CA C 78 61.922 61.922 59.840 2.082 18269
2727 1 6 . 1 1 78 78 SER CB C 78 62.406 62.406 63.763 -1.357 18269
2728 1 6 . 1 1 78 78 SER H H 78 8.285 8.285 7.687 0.598 18269
2729 1 6 . 1 1 79 79 VAL N N 79 111.248 111.248 118.501 -7.253 18269
2730 1 6 . 1 1 79 79 VAL HA H 79 4.751 4.751 3.704 1.047 18269
2731 1 6 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.060 1.066 18269
2732 1 6 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.382 -5.035 18269
2733 1 6 . 1 1 79 79 VAL H H 79 7.004 7.004 7.366 -0.362 18269
2734 1 6 . 1 1 80 80 HIS N N 80 116.703 116.703 122.201 -5.498 18269
2735 1 6 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.357 -0.241 18269
2736 1 6 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.924 -0.098 18269
2737 1 6 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.659 -3.770 18269
2738 1 6 . 1 1 80 80 HIS H H 80 8.289 8.289 8.619 -0.330 18269
2739 1 6 . 1 1 81 81 MET N N 81 120.978 120.978 124.313 -3.335 18269
2740 1 6 . 1 1 81 81 MET HA H 81 4.512 4.512 4.904 -0.392 18269
2741 1 6 . 1 1 81 81 MET CA C 81 55.007 55.007 52.474 2.533 18269
2742 1 6 . 1 1 81 81 MET CB C 81 33.265 33.265 34.257 -0.992 18269
2743 1 6 . 1 1 81 81 MET H H 81 8.006 8.006 8.622 -0.616 18269
2744 1 6 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.209 0.132 18269
2745 1 6 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.696 -1.460 18269
2746 1 6 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.583 2.080 18269
2747 1 6 . 1 1 83 83 ALA N N 83 126.545 126.545 120.530 6.015 18269
2748 1 6 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.908 0.038 18269
2749 1 6 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.937 1.036 18269
2750 1 6 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.437 1.038 18269
2751 1 6 . 1 1 83 83 ALA H H 83 9.196 9.196 8.049 1.147 18269
2752 1 6 . 1 1 84 84 MET N N 84 114.734 114.734 117.188 -2.454 18269
2753 1 6 . 1 1 84 84 MET HA H 84 4.024 4.024 4.268 -0.244 18269
2754 1 6 . 1 1 84 84 MET CA C 84 58.812 58.812 58.310 0.501 18269
2755 1 6 . 1 1 84 84 MET CB C 84 32.242 32.242 32.007 0.235 18269
2756 1 6 . 1 1 84 84 MET H H 84 9.289 9.289 8.079 1.210 18269
2757 1 6 . 1 1 85 85 LYS N N 85 116.490 116.490 119.309 -2.819 18269
2758 1 6 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.245 -0.071 18269
2759 1 6 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.606 -0.490 18269
2760 1 6 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.821 -0.028 18269
2761 1 6 . 1 1 85 85 LYS H H 85 6.997 6.997 8.591 -1.593 18269
2762 1 6 . 1 1 86 86 ILE N N 86 120.561 120.561 121.641 -1.080 18269
2763 1 6 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.643 -0.028 18269
2764 1 6 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.419 0.859 18269
2765 1 6 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.775 -0.255 18269
2766 1 6 . 1 1 86 86 ILE H H 86 7.875 7.875 7.443 0.432 18269
2767 1 6 . 1 1 87 87 CYS N N 87 117.323 117.323 117.493 -0.170 18269
2768 1 6 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.131 -0.055 18269
2769 1 6 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.582 -0.522 18269
2770 1 6 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.406 17.327 18269
2771 1 6 . 1 1 87 87 CYS H H 87 8.643 8.643 7.834 0.809 18269
2772 1 6 . 1 1 88 88 GLU N N 88 118.070 118.070 121.106 -3.036 18269
2773 1 6 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.127 -0.179 18269
2774 1 6 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.690 1.073 18269
2775 1 6 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.413 0.351 18269
2776 1 6 . 1 1 88 88 GLU H H 88 8.045 8.045 7.612 0.433 18269
2777 1 6 . 1 1 89 89 LYS N N 89 119.719 119.719 120.311 -0.592 18269
2778 1 6 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.075 0.063 18269
2779 1 6 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.080 0.050 18269
2780 1 6 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.193 -0.490 18269
2781 1 6 . 1 1 89 89 LYS H H 89 7.530 7.530 8.253 -0.723 18269
2782 1 6 . 1 1 90 90 LEU N N 90 119.550 119.550 119.993 -0.443 18269
2783 1 6 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.050 -0.085 18269
2784 1 6 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.985 0.358 18269
2785 1 6 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.481 -0.490 18269
2786 1 6 . 1 1 90 90 LEU H H 90 8.422 8.422 8.042 0.380 18269
2787 1 6 . 1 1 91 91 LYS N N 91 119.180 119.180 118.960 0.220 18269
2788 1 6 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.201 -0.339 18269
2789 1 6 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.947 -0.342 18269
2790 1 6 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.047 0.430 18269
2791 1 6 . 1 1 91 91 LYS H H 91 8.218 8.218 7.932 0.286 18269
2792 1 6 . 1 1 92 92 LYS N N 92 113.632 113.632 119.697 -6.065 18269
2793 1 6 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.154 -0.101 18269
2794 1 6 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.304 -0.746 18269
2795 1 6 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.147 -0.213 18269
2796 1 6 . 1 1 92 92 LYS H H 92 6.984 6.984 7.464 -0.480 18269
2797 1 6 . 1 1 93 93 LEU N N 93 119.104 119.104 118.462 0.642 18269
2798 1 6 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.313 -0.023 18269
2799 1 6 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.834 0.270 18269
2800 1 6 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.218 -1.116 18269
2801 1 6 . 1 1 93 93 LEU H H 93 7.456 7.456 7.534 -0.078 18269
2802 1 6 . 1 1 94 94 ASP N N 94 116.790 116.790 116.340 0.450 18269
2803 1 6 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.773 -0.217 18269
2804 1 6 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.510 0.856 18269
2805 1 6 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.763 -1.590 18269
2806 1 6 . 1 1 94 94 ASP H H 94 7.911 7.911 8.138 -0.227 18269
2807 1 6 . 1 1 95 95 SER N N 95 122.399 122.399 119.310 3.089 18269
2808 1 6 . 1 1 95 95 SER HA H 95 4.186 4.186 4.331 -0.145 18269
2809 1 6 . 1 1 95 95 SER CA C 95 61.472 61.472 60.375 1.097 18269
2810 1 6 . 1 1 95 95 SER CB C 95 62.568 62.568 63.321 -0.753 18269
2811 1 6 . 1 1 95 95 SER H H 95 8.894 8.894 8.676 0.218 18269
2812 1 6 . 1 1 96 96 GLN N N 96 120.800 120.800 121.227 -0.427 18269
2813 1 6 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.099 -0.237 18269
2814 1 6 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.547 -0.396 18269
2815 1 6 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.673 -0.256 18269
2816 1 6 . 1 1 96 96 GLN H H 96 8.610 8.610 8.807 -0.197 18269
2817 1 6 . 1 1 97 97 ILE N N 97 117.387 117.387 118.804 -1.417 18269
2818 1 6 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.581 -0.182 18269
2819 1 6 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.841 1.990 18269
2820 1 6 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.679 0.595 18269
2821 1 6 . 1 1 97 97 ILE H H 97 7.470 7.470 7.821 -0.351 18269
2822 1 6 . 1 1 98 98 CYS N N 98 113.485 113.485 117.217 -3.732 18269
2823 1 6 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.333 0.738 18269
2824 1 6 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.366 2.607 18269
2825 1 6 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.939 21.647 18269
2826 1 6 . 1 1 98 98 CYS H H 98 7.410 7.410 7.572 -0.162 18269
2827 1 6 . 1 1 99 99 GLU N N 99 119.123 119.123 119.841 -0.718 18269
2828 1 6 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.240 0.083 18269
2829 1 6 . 1 1 99 99 GLU CA C 99 56.726 56.726 57.556 -0.830 18269
2830 1 6 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.902 0.077 18269
2831 1 6 . 1 1 99 99 GLU H H 99 7.308 7.308 7.376 -0.068 18269
2832 1 6 . 1 1 100 100 LEU N N 100 115.771 115.771 114.879 0.892 18269
2833 1 6 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.679 0.618 18269
2834 1 6 . 1 1 100 100 LEU CA C 100 55.682 55.682 57.135 -1.452 18269
2835 1 6 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.287 1.674 18269
2836 1 6 . 1 1 100 100 LEU H H 100 6.496 6.496 8.292 -1.796 18269
2837 1 6 . 1 1 101 101 LYS N N 101 125.672 125.672 113.582 12.090 18269
2838 1 6 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.018 0.576 18269
2839 1 6 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.088 -1.738 18269
2840 1 6 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.378 4.345 18269
2841 1 6 . 1 1 101 101 LYS H H 101 8.575 8.575 7.964 0.611 18269
2842 1 6 . 1 1 102 102 TYR N N 102 120.395 120.395 121.815 -1.420 18269
2843 1 6 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.219 0.163 18269
2844 1 6 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.656 -1.632 18269
2845 1 6 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.842 -0.514 18269
2846 1 6 . 1 1 102 102 TYR H H 102 8.756 8.756 9.196 -0.440 18269
2847 1 6 . 1 1 103 103 GLU N N 103 121.550 121.550 115.894 5.656 18269
2848 1 6 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.382 0.010 18269
2849 1 6 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.125 0.202 18269
2850 1 6 . 1 1 103 103 GLU CB C 103 30.302 30.302 31.061 -0.759 18269
2851 1 6 . 1 1 103 103 GLU H H 103 8.835 8.835 8.288 0.547 18269
2852 1 6 . 1 1 104 104 LYS N N 104 122.957 122.957 118.782 4.175 18269
2853 1 6 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.002 0.459 18269
2854 1 6 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.014 -0.740 18269
2855 1 6 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.287 1.760 18269
2856 1 6 . 1 1 104 104 LYS H H 104 8.490 8.490 8.421 0.069 18269
2857 1 7 . 1 1 2 2 GLU N N 2 121.590 121.590 123.005 -1.415 18269
2858 1 7 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.741 -0.447 18269
2859 1 7 . 1 1 2 2 GLU CA C 2 56.517 56.517 55.228 1.289 18269
2860 1 7 . 1 1 2 2 GLU CB C 2 30.151 30.151 33.291 -3.140 18269
2861 1 7 . 1 1 2 2 GLU H H 2 8.621 8.621 8.465 0.156 18269
2862 1 7 . 1 1 3 3 ALA N N 3 125.815 125.815 119.874 5.941 18269
2863 1 7 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.628 -0.262 18269
2864 1 7 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.522 1.135 18269
2865 1 7 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.885 -1.938 18269
2866 1 7 . 1 1 3 3 ALA H H 3 8.598 8.598 8.881 -0.283 18269
2867 1 7 . 1 1 4 4 GLY N N 4 108.386 108.386 109.536 -1.150 18269
2868 1 7 . 1 1 4 4 GLY CA C 4 45.137 45.137 47.075 -1.938 18269
2869 1 7 . 1 1 4 4 GLY H H 4 8.487 8.487 9.295 -0.808 18269
2870 1 7 . 1 1 5 5 GLY N N 5 108.367 108.367 112.482 -4.115 18269
2871 1 7 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.874 -0.120 18269
2872 1 7 . 1 1 5 5 GLY H H 5 8.274 8.274 8.444 -0.170 18269
2873 1 7 . 1 1 6 6 ARG N N 6 121.577 121.577 121.495 0.082 18269
2874 1 7 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.478 0.197 18269
2875 1 7 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.794 0.087 18269
2876 1 7 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.492 -0.357 18269
2877 1 7 . 1 1 6 6 ARG H H 6 8.297 8.297 8.032 0.265 18269
2878 1 7 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.600 -0.109 18269
2879 1 7 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.473 0.880 18269
2880 1 7 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.253 0.794 18269
2881 1 7 . 1 1 8 8 GLY N N 8 109.658 109.658 109.217 0.441 18269
2882 1 7 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.292 -1.204 18269
2883 1 7 . 1 1 8 8 GLY H H 8 8.660 8.660 8.200 0.460 18269
2884 1 7 . 1 1 9 9 ALA N N 9 123.995 123.995 120.715 3.280 18269
2885 1 7 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.439 0.001 18269
2886 1 7 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.906 -1.109 18269
2887 1 7 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.084 0.195 18269
2888 1 7 . 1 1 9 9 ALA H H 9 8.200 8.200 7.730 0.470 18269
2889 1 7 . 1 1 10 10 ASP N N 10 119.834 119.834 117.895 1.939 18269
2890 1 7 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.644 0.013 18269
2891 1 7 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.084 -0.543 18269
2892 1 7 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.603 -1.097 18269
2893 1 7 . 1 1 10 10 ASP H H 10 8.290 8.290 8.417 -0.127 18269
2894 1 7 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.426 0.204 18269
2895 1 7 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.719 -5.961 18269
2896 1 7 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.522 12.938 18269
2897 1 7 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.243 -0.279 18269
2898 1 7 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.262 2.115 18269
2899 1 7 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.313 0.942 18269
2900 1 7 . 1 1 13 13 VAL N N 13 117.224 117.224 119.684 -2.460 18269
2901 1 7 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.823 -0.077 18269
2902 1 7 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.549 -1.503 18269
2903 1 7 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.943 0.275 18269
2904 1 7 . 1 1 13 13 VAL H H 13 7.040 7.040 7.786 -0.746 18269
2905 1 7 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.182 -0.097 18269
2906 1 7 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.459 -1.014 18269
2907 1 7 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.874 15.345 18269
2908 1 7 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.995 0.064 18269
2909 1 7 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.328 -1.757 18269
2910 1 7 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.807 0.443 18269
2911 1 7 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.161 0.170 18269
2912 1 7 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.252 -0.078 18269
2913 1 7 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.302 0.104 18269
2914 1 7 . 1 1 16 16 GLU H H 16 8.098 8.098 8.078 0.020 18269
2915 1 7 . 1 1 17 17 PHE N N 17 120.745 120.745 122.454 -1.709 18269
2916 1 7 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.322 -0.007 18269
2917 1 7 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.786 0.728 18269
2918 1 7 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.132 1.381 18269
2919 1 7 . 1 1 17 17 PHE H H 17 9.126 9.126 7.952 1.174 18269
2920 1 7 . 1 1 18 18 LEU N N 18 115.787 115.787 118.584 -2.797 18269
2921 1 7 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.653 0.490 18269
2922 1 7 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.044 -0.167 18269
2923 1 7 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.316 -0.364 18269
2924 1 7 . 1 1 18 18 LEU H H 18 8.505 8.505 8.215 0.290 18269
2925 1 7 . 1 1 19 19 ASN N N 19 117.635 117.635 117.749 -0.114 18269
2926 1 7 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.362 0.514 18269
2927 1 7 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.900 -0.426 18269
2928 1 7 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.823 -0.495 18269
2929 1 7 . 1 1 19 19 ASN H H 19 8.405 8.405 8.241 0.164 18269
2930 1 7 . 1 1 20 20 ARG N N 20 122.851 122.851 119.719 3.132 18269
2931 1 7 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.001 0.116 18269
2932 1 7 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.396 0.893 18269
2933 1 7 . 1 1 20 20 ARG CB C 20 30.455 30.455 29.871 0.584 18269
2934 1 7 . 1 1 20 20 ARG H H 20 8.325 8.325 7.776 0.549 18269
2935 1 7 . 1 1 21 21 PHE N N 21 121.774 121.774 120.929 0.845 18269
2936 1 7 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.270 0.010 18269
2937 1 7 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.061 -2.050 18269
2938 1 7 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.114 -0.103 18269
2939 1 7 . 1 1 21 21 PHE H H 21 8.438 8.438 7.886 0.552 18269
2940 1 7 . 1 1 22 22 TYR N N 22 119.937 119.937 120.407 -0.470 18269
2941 1 7 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.790 -0.001 18269
2942 1 7 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.122 -0.470 18269
2943 1 7 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.390 -0.116 18269
2944 1 7 . 1 1 22 22 TYR H H 22 8.708 8.708 8.414 0.294 18269
2945 1 7 . 1 1 23 23 LYS N N 23 116.431 116.431 117.443 -1.012 18269
2946 1 7 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.885 -0.026 18269
2947 1 7 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.852 0.291 18269
2948 1 7 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.511 0.706 18269
2949 1 7 . 1 1 23 23 LYS H H 23 7.928 7.928 8.210 -0.282 18269
2950 1 7 . 1 1 24 24 SER N N 24 113.888 113.888 117.944 -4.056 18269
2951 1 7 . 1 1 24 24 SER HA H 24 4.325 4.325 4.170 0.155 18269
2952 1 7 . 1 1 24 24 SER CA C 24 61.016 61.016 62.435 -1.419 18269
2953 1 7 . 1 1 24 24 SER CB C 24 62.837 62.837 62.897 -0.060 18269
2954 1 7 . 1 1 24 24 SER H H 24 7.665 7.665 8.401 -0.736 18269
2955 1 7 . 1 1 25 25 LEU N N 25 119.663 119.663 122.149 -2.486 18269
2956 1 7 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.873 -0.194 18269
2957 1 7 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.033 -0.528 18269
2958 1 7 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.213 0.689 18269
2959 1 7 . 1 1 25 25 LEU H H 25 7.573 7.573 7.785 -0.212 18269
2960 1 7 . 1 1 26 26 ILE N N 26 119.781 119.781 119.709 0.072 18269
2961 1 7 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.523 0.333 18269
2962 1 7 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.911 -0.362 18269
2963 1 7 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.335 0.970 18269
2964 1 7 . 1 1 26 26 ILE H H 26 8.094 8.094 7.554 0.540 18269
2965 1 7 . 1 1 27 27 ASP N N 27 122.421 122.421 119.573 2.848 18269
2966 1 7 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.375 0.001 18269
2967 1 7 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.884 0.136 18269
2968 1 7 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.650 -0.570 18269
2969 1 7 . 1 1 27 27 ASP H H 27 9.091 9.091 8.262 0.829 18269
2970 1 7 . 1 1 28 28 ARG N N 28 115.349 115.349 117.002 -1.653 18269
2971 1 7 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.338 -0.033 18269
2972 1 7 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.430 0.068 18269
2973 1 7 . 1 1 28 28 ARG CB C 28 31.613 31.613 31.075 0.538 18269
2974 1 7 . 1 1 28 28 ARG H H 28 7.587 7.587 7.710 -0.123 18269
2975 1 7 . 1 1 29 29 GLY N N 29 109.999 109.999 107.290 2.709 18269
2976 1 7 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.196 1.465 18269
2977 1 7 . 1 1 29 29 GLY H H 29 7.909 7.909 8.007 -0.098 18269
2978 1 7 . 1 1 30 30 VAL N N 30 118.740 118.740 121.280 -2.540 18269
2979 1 7 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.085 -0.326 18269
2980 1 7 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.630 -0.160 18269
2981 1 7 . 1 1 30 30 VAL CB C 30 32.326 32.326 30.072 2.254 18269
2982 1 7 . 1 1 30 30 VAL H H 30 7.701 7.701 8.170 -0.469 18269
2983 1 7 . 1 1 31 31 ASN N N 31 123.250 123.250 124.182 -0.932 18269
2984 1 7 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.691 0.022 18269
2985 1 7 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.306 0.182 18269
2986 1 7 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.185 -0.974 18269
2987 1 7 . 1 1 31 31 ASN H H 31 8.498 8.498 8.190 0.308 18269
2988 1 7 . 1 1 32 32 PHE N N 32 126.076 126.076 122.837 3.239 18269
2989 1 7 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.947 -0.809 18269
2990 1 7 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.001 0.646 18269
2991 1 7 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.017 -1.238 18269
2992 1 7 . 1 1 32 32 PHE H H 32 8.783 8.783 8.513 0.270 18269
2993 1 7 . 1 1 33 33 SER N N 33 115.958 115.958 118.075 -2.117 18269
2994 1 7 . 1 1 33 33 SER HA H 33 4.736 4.736 4.545 0.191 18269
2995 1 7 . 1 1 33 33 SER CA C 33 56.745 56.745 57.256 -0.511 18269
2996 1 7 . 1 1 33 33 SER CB C 33 64.899 64.899 65.531 -0.632 18269
2997 1 7 . 1 1 33 33 SER H H 33 7.699 7.699 8.543 -0.844 18269
2998 1 7 . 1 1 34 34 LEU N N 34 124.359 124.359 128.057 -3.698 18269
2999 1 7 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.005 -0.152 18269
3000 1 7 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.503 1.168 18269
3001 1 7 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.491 0.055 18269
3002 1 7 . 1 1 34 34 LEU H H 34 8.935 8.935 8.753 0.182 18269
3003 1 7 . 1 1 35 35 ASP N N 35 115.345 115.345 116.471 -1.126 18269
3004 1 7 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.423 -0.045 18269
3005 1 7 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.901 -1.043 18269
3006 1 7 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.489 -0.329 18269
3007 1 7 . 1 1 35 35 ASP H H 35 8.575 8.575 8.650 -0.075 18269
3008 1 7 . 1 1 36 36 THR N N 36 116.789 116.789 117.359 -0.570 18269
3009 1 7 . 1 1 36 36 THR HA H 36 4.015 4.015 4.123 -0.108 18269
3010 1 7 . 1 1 36 36 THR CA C 36 66.069 66.069 66.558 -0.489 18269
3011 1 7 . 1 1 36 36 THR CB C 36 68.780 68.780 69.052 -0.272 18269
3012 1 7 . 1 1 36 36 THR H H 36 7.593 7.593 7.189 0.404 18269
3013 1 7 . 1 1 37 37 ILE N N 37 120.685 120.685 120.888 -0.203 18269
3014 1 7 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.850 -0.481 18269
3015 1 7 . 1 1 37 37 ILE CA C 37 65.800 65.800 62.906 2.894 18269
3016 1 7 . 1 1 37 37 ILE CB C 37 37.091 37.091 35.831 1.260 18269
3017 1 7 . 1 1 37 37 ILE H H 37 8.436 8.436 8.703 -0.267 18269
3018 1 7 . 1 1 38 38 GLU N N 38 118.792 118.792 121.466 -2.674 18269
3019 1 7 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.915 -0.237 18269
3020 1 7 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.092 0.969 18269
3021 1 7 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.488 0.383 18269
3022 1 7 . 1 1 38 38 GLU H H 38 8.122 8.122 8.057 0.065 18269
3023 1 7 . 1 1 39 39 LYS N N 39 116.986 116.986 118.834 -1.848 18269
3024 1 7 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.109 -0.148 18269
3025 1 7 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.906 0.840 18269
3026 1 7 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.103 0.207 18269
3027 1 7 . 1 1 39 39 LYS H H 39 7.586 7.586 7.724 -0.138 18269
3028 1 7 . 1 1 40 40 GLU N N 40 117.892 117.892 120.421 -2.529 18269
3029 1 7 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.304 -0.099 18269
3030 1 7 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.854 -0.495 18269
3031 1 7 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.454 -0.875 18269
3032 1 7 . 1 1 40 40 GLU H H 40 8.690 8.690 8.488 0.202 18269
3033 1 7 . 1 1 41 41 LEU N N 41 125.830 125.830 121.605 4.225 18269
3034 1 7 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.975 -0.428 18269
3035 1 7 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.487 -0.659 18269
3036 1 7 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.806 -1.468 18269
3037 1 7 . 1 1 41 41 LEU H H 41 8.978 8.978 8.526 0.452 18269
3038 1 7 . 1 1 42 42 ILE N N 42 119.900 119.900 119.987 -0.087 18269
3039 1 7 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.952 -0.368 18269
3040 1 7 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.302 0.530 18269
3041 1 7 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.930 -0.140 18269
3042 1 7 . 1 1 42 42 ILE H H 42 7.884 7.884 7.894 -0.010 18269
3043 1 7 . 1 1 43 43 SER N N 43 114.071 114.071 115.956 -1.885 18269
3044 1 7 . 1 1 43 43 SER HA H 43 4.277 4.277 4.215 0.062 18269
3045 1 7 . 1 1 43 43 SER CA C 43 61.598 61.598 62.415 -0.817 18269
3046 1 7 . 1 1 43 43 SER CB C 43 62.767 62.767 63.130 -0.363 18269
3047 1 7 . 1 1 43 43 SER H H 43 7.791 7.791 8.334 -0.543 18269
3048 1 7 . 1 1 44 44 PHE N N 44 125.036 125.036 122.868 2.168 18269
3049 1 7 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.384 -0.055 18269
3050 1 7 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.017 -0.760 18269
3051 1 7 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.628 1.003 18269
3052 1 7 . 1 1 44 44 PHE H H 44 9.060 9.060 8.757 0.303 18269
3053 1 7 . 1 1 45 45 CYS N N 45 112.824 112.824 118.843 -6.019 18269
3054 1 7 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.389 0.217 18269
3055 1 7 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.702 -3.466 18269
3056 1 7 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.090 16.533 18269
3057 1 7 . 1 1 45 45 CYS H H 45 8.254 8.254 8.946 -0.692 18269
3058 1 7 . 1 1 46 46 LEU N N 46 123.875 123.875 119.300 4.575 18269
3059 1 7 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.265 -0.090 18269
3060 1 7 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.860 1.291 18269
3061 1 7 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.230 1.022 18269
3062 1 7 . 1 1 46 46 LEU H H 46 7.776 7.776 7.939 -0.163 18269
3063 1 7 . 1 1 47 47 ASP N N 47 116.880 116.880 118.219 -1.339 18269
3064 1 7 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.518 0.392 18269
3065 1 7 . 1 1 47 47 ASP CA C 47 53.585 53.585 56.189 -2.604 18269
3066 1 7 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.758 -1.383 18269
3067 1 7 . 1 1 47 47 ASP H H 47 7.852 7.852 8.077 -0.225 18269
3068 1 7 . 1 1 48 48 THR N N 48 108.053 108.053 114.332 -6.279 18269
3069 1 7 . 1 1 48 48 THR HA H 48 4.461 4.461 4.161 0.300 18269
3070 1 7 . 1 1 48 48 THR CA C 48 60.844 60.844 62.682 -1.838 18269
3071 1 7 . 1 1 48 48 THR CB C 48 73.395 73.395 69.752 3.643 18269
3072 1 7 . 1 1 48 48 THR H H 48 7.139 7.139 7.586 -0.447 18269
3073 1 7 . 1 1 49 49 LYS N N 49 118.308 118.308 119.351 -1.043 18269
3074 1 7 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.479 0.239 18269
3075 1 7 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.285 -1.241 18269
3076 1 7 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.795 2.775 18269
3077 1 7 . 1 1 49 49 LYS H H 49 8.755 8.755 9.177 -0.422 18269
3078 1 7 . 1 1 50 50 GLY N N 50 108.996 108.996 110.176 -1.180 18269
3079 1 7 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.662 -0.819 18269
3080 1 7 . 1 1 50 50 GLY H H 50 8.866 8.866 8.665 0.201 18269
3081 1 7 . 1 1 51 51 LYS N N 51 126.155 126.155 121.747 4.408 18269
3082 1 7 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.074 -0.104 18269
3083 1 7 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.130 -1.020 18269
3084 1 7 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.108 0.511 18269
3085 1 7 . 1 1 51 51 LYS H H 51 9.254 9.254 8.639 0.615 18269
3086 1 7 . 1 1 52 52 GLU N N 52 116.496 116.496 119.229 -2.733 18269
3087 1 7 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.132 -0.609 18269
3088 1 7 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.159 0.231 18269
3089 1 7 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.658 -0.972 18269
3090 1 7 . 1 1 52 52 GLU H H 52 8.223 8.223 8.086 0.137 18269
3091 1 7 . 1 1 53 53 ASN N N 53 119.000 119.000 119.725 -0.725 18269
3092 1 7 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.717 -0.333 18269
3093 1 7 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.784 1.194 18269
3094 1 7 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.635 0.811 18269
3095 1 7 . 1 1 53 53 ASN H H 53 6.840 6.840 8.818 -1.978 18269
3096 1 7 . 1 1 54 54 ARG N N 54 118.480 118.480 120.341 -1.861 18269
3097 1 7 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.101 -0.332 18269
3098 1 7 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.199 -0.802 18269
3099 1 7 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.801 -1.061 18269
3100 1 7 . 1 1 54 54 ARG H H 54 7.456 7.456 8.231 -0.775 18269
3101 1 7 . 1 1 55 55 LEU N N 55 118.688 118.688 120.845 -2.157 18269
3102 1 7 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.182 -0.374 18269
3103 1 7 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.509 -0.050 18269
3104 1 7 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.739 -1.619 18269
3105 1 7 . 1 1 55 55 LEU H H 55 7.843 7.843 7.873 -0.030 18269
3106 1 7 . 1 1 56 56 CYS N N 56 115.905 115.905 115.837 0.068 18269
3107 1 7 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.982 -0.109 18269
3108 1 7 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.614 1.423 18269
3109 1 7 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.482 17.423 18269
3110 1 7 . 1 1 56 56 CYS H H 56 7.752 7.752 7.727 0.025 18269
3111 1 7 . 1 1 57 57 TYR N N 57 121.810 121.810 119.464 2.346 18269
3112 1 7 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.182 -0.039 18269
3113 1 7 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.303 0.012 18269
3114 1 7 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.898 -0.844 18269
3115 1 7 . 1 1 57 57 TYR H H 57 7.911 7.911 7.480 0.431 18269
3116 1 7 . 1 1 58 58 TYR N N 58 121.916 121.916 117.019 4.897 18269
3117 1 7 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.311 0.064 18269
3118 1 7 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.569 -1.560 18269
3119 1 7 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.618 -0.594 18269
3120 1 7 . 1 1 58 58 TYR H H 58 8.334 8.334 7.471 0.863 18269
3121 1 7 . 1 1 59 59 LEU N N 59 114.461 114.461 116.083 -1.622 18269
3122 1 7 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.957 0.163 18269
3123 1 7 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.900 -0.671 18269
3124 1 7 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.974 0.071 18269
3125 1 7 . 1 1 59 59 LEU H H 59 8.079 8.079 7.917 0.162 18269
3126 1 7 . 1 1 60 60 GLY N N 60 102.559 102.559 103.562 -1.003 18269
3127 1 7 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.440 0.132 18269
3128 1 7 . 1 1 60 60 GLY H H 60 7.562 7.562 7.981 -0.419 18269
3129 1 7 . 1 1 61 61 ALA N N 61 120.327 120.327 121.998 -1.671 18269
3130 1 7 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.586 -0.185 18269
3131 1 7 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.331 -0.066 18269
3132 1 7 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.927 1.410 18269
3133 1 7 . 1 1 61 61 ALA H H 61 7.995 7.995 7.775 0.220 18269
3134 1 7 . 1 1 62 62 THR N N 62 106.895 106.895 110.745 -3.850 18269
3135 1 7 . 1 1 62 62 THR HA H 62 4.518 4.518 4.429 0.089 18269
3136 1 7 . 1 1 62 62 THR CA C 62 59.982 59.982 59.642 0.340 18269
3137 1 7 . 1 1 62 62 THR CB C 62 70.540 70.540 71.012 -0.472 18269
3138 1 7 . 1 1 62 62 THR H H 62 7.156 7.156 7.178 -0.022 18269
3139 1 7 . 1 1 63 63 LYS N N 63 121.251 121.251 120.827 0.424 18269
3140 1 7 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.140 -0.043 18269
3141 1 7 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.053 0.219 18269
3142 1 7 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.362 -0.207 18269
3143 1 7 . 1 1 63 63 LYS H H 63 8.626 8.626 8.680 -0.054 18269
3144 1 7 . 1 1 64 64 ASP N N 64 116.607 116.607 115.778 0.829 18269
3145 1 7 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.641 -0.084 18269
3146 1 7 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.301 0.601 18269
3147 1 7 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.814 -0.708 18269
3148 1 7 . 1 1 64 64 ASP H H 64 8.441 8.441 7.825 0.616 18269
3149 1 7 . 1 1 65 65 ALA N N 65 122.486 122.486 123.088 -0.602 18269
3150 1 7 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.418 -0.333 18269
3151 1 7 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.764 1.786 18269
3152 1 7 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.393 -1.836 18269
3153 1 7 . 1 1 65 65 ALA H H 65 7.368 7.368 7.308 0.060 18269
3154 1 7 . 1 1 66 66 ALA N N 66 124.171 124.171 121.392 2.779 18269
3155 1 7 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.408 0.036 18269
3156 1 7 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.968 0.503 18269
3157 1 7 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.869 0.397 18269
3158 1 7 . 1 1 66 66 ALA H H 66 8.300 8.300 8.499 -0.199 18269
3159 1 7 . 1 1 67 67 THR N N 67 111.638 111.638 119.090 -7.452 18269
3160 1 7 . 1 1 67 67 THR HA H 67 4.496 4.496 4.104 0.392 18269
3161 1 7 . 1 1 67 67 THR CA C 67 60.881 60.881 64.284 -3.403 18269
3162 1 7 . 1 1 67 67 THR CB C 67 70.199 70.199 68.992 1.207 18269
3163 1 7 . 1 1 67 67 THR H H 67 7.730 7.730 8.729 -0.999 18269
3164 1 7 . 1 1 68 68 LYS N N 68 121.732 121.732 122.969 -1.237 18269
3165 1 7 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.062 0.474 18269
3166 1 7 . 1 1 68 68 LYS CA C 68 56.562 56.562 60.030 -3.468 18269
3167 1 7 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.107 0.992 18269
3168 1 7 . 1 1 68 68 LYS H H 68 8.502 8.502 8.238 0.264 18269
3169 1 7 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.886 0.453 18269
3170 1 7 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.107 -1.401 18269
3171 1 7 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.873 -0.073 18269
3172 1 7 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.871 0.260 18269
3173 1 7 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.057 0.559 18269
3174 1 7 . 1 1 70 70 LEU CB C 70 41.738 41.738 42.075 -0.337 18269
3175 1 7 . 1 1 71 71 SER HA H 71 4.817 4.817 4.267 0.550 18269
3176 1 7 . 1 1 71 71 SER CA C 71 60.667 60.667 61.207 -0.540 18269
3177 1 7 . 1 1 71 71 SER CB C 71 62.646 62.646 62.860 -0.214 18269
3178 1 7 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.168 0.096 18269
3179 1 7 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.606 -1.977 18269
3180 1 7 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.388 -1.141 18269
3181 1 7 . 1 1 73 73 VAL N N 73 114.786 114.786 118.420 -3.634 18269
3182 1 7 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.955 0.147 18269
3183 1 7 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.489 -1.748 18269
3184 1 7 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.963 1.302 18269
3185 1 7 . 1 1 73 73 VAL H H 73 7.812 7.812 7.511 0.301 18269
3186 1 7 . 1 1 74 74 THR HA H 74 3.767 3.767 3.959 -0.192 18269
3187 1 7 . 1 1 74 74 THR CA C 74 65.584 65.584 66.367 -0.783 18269
3188 1 7 . 1 1 74 74 THR CB C 74 67.470 67.470 68.698 -1.228 18269
3189 1 7 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.130 0.116 18269
3190 1 7 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.934 0.449 18269
3191 1 7 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.362 0.258 18269
3192 1 7 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.377 0.108 18269
3193 1 7 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.043 0.654 18269
3194 1 7 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.715 -0.820 18269
3195 1 7 . 1 1 77 77 MET N N 77 117.583 117.583 116.103 1.480 18269
3196 1 7 . 1 1 77 77 MET HA H 77 4.684 4.684 4.383 0.301 18269
3197 1 7 . 1 1 77 77 MET CA C 77 59.347 59.347 56.763 2.584 18269
3198 1 7 . 1 1 77 77 MET CB C 77 32.996 32.996 31.392 1.604 18269
3199 1 7 . 1 1 77 77 MET H H 77 7.685 7.685 8.589 -0.904 18269
3200 1 7 . 1 1 78 78 SER N N 78 114.578 114.578 114.210 0.368 18269
3201 1 7 . 1 1 78 78 SER HA H 78 4.226 4.226 4.505 -0.279 18269
3202 1 7 . 1 1 78 78 SER CA C 78 61.922 61.922 60.112 1.810 18269
3203 1 7 . 1 1 78 78 SER CB C 78 62.406 62.406 63.441 -1.035 18269
3204 1 7 . 1 1 78 78 SER H H 78 8.285 8.285 7.842 0.443 18269
3205 1 7 . 1 1 79 79 VAL N N 79 111.248 111.248 112.968 -1.720 18269
3206 1 7 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.740 0.011 18269
3207 1 7 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.158 0.968 18269
3208 1 7 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.791 -4.445 18269
3209 1 7 . 1 1 79 79 VAL H H 79 7.004 7.004 7.591 -0.587 18269
3210 1 7 . 1 1 80 80 HIS N N 80 116.703 116.703 120.794 -4.091 18269
3211 1 7 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.460 -0.344 18269
3212 1 7 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.111 -0.285 18269
3213 1 7 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.413 -3.525 18269
3214 1 7 . 1 1 80 80 HIS H H 80 8.289 8.289 8.725 -0.436 18269
3215 1 7 . 1 1 81 81 MET N N 81 120.978 120.978 126.349 -5.371 18269
3216 1 7 . 1 1 81 81 MET HA H 81 4.512 4.512 4.920 -0.408 18269
3217 1 7 . 1 1 81 81 MET CA C 81 55.007 55.007 52.089 2.918 18269
3218 1 7 . 1 1 81 81 MET CB C 81 33.265 33.265 33.697 -0.432 18269
3219 1 7 . 1 1 81 81 MET H H 81 8.006 8.006 8.182 -0.176 18269
3220 1 7 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.133 0.208 18269
3221 1 7 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.606 -1.371 18269
3222 1 7 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.604 2.059 18269
3223 1 7 . 1 1 83 83 ALA N N 83 126.545 126.545 120.034 6.511 18269
3224 1 7 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.854 0.092 18269
3225 1 7 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.890 1.083 18269
3226 1 7 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.111 1.364 18269
3227 1 7 . 1 1 83 83 ALA H H 83 9.196 9.196 7.975 1.221 18269
3228 1 7 . 1 1 84 84 MET N N 84 114.734 114.734 117.362 -2.628 18269
3229 1 7 . 1 1 84 84 MET HA H 84 4.024 4.024 4.239 -0.215 18269
3230 1 7 . 1 1 84 84 MET CA C 84 58.812 58.812 58.689 0.123 18269
3231 1 7 . 1 1 84 84 MET CB C 84 32.242 32.242 32.170 0.072 18269
3232 1 7 . 1 1 84 84 MET H H 84 9.289 9.289 7.849 1.440 18269
3233 1 7 . 1 1 85 85 LYS N N 85 116.490 116.490 118.566 -2.076 18269
3234 1 7 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.093 0.081 18269
3235 1 7 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.856 -0.740 18269
3236 1 7 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.275 -0.482 18269
3237 1 7 . 1 1 85 85 LYS H H 85 6.997 6.997 8.367 -1.370 18269
3238 1 7 . 1 1 86 86 ILE N N 86 120.561 120.561 120.916 -0.355 18269
3239 1 7 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.633 -0.018 18269
3240 1 7 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.035 1.243 18269
3241 1 7 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.743 -0.223 18269
3242 1 7 . 1 1 86 86 ILE H H 86 7.875 7.875 7.378 0.497 18269
3243 1 7 . 1 1 87 87 CYS N N 87 117.323 117.323 118.804 -1.481 18269
3244 1 7 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.065 0.011 18269
3245 1 7 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.497 -1.437 18269
3246 1 7 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.813 16.920 18269
3247 1 7 . 1 1 87 87 CYS H H 87 8.643 8.643 7.844 0.799 18269
3248 1 7 . 1 1 88 88 GLU N N 88 118.070 118.070 119.211 -1.141 18269
3249 1 7 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.122 -0.174 18269
3250 1 7 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.743 1.020 18269
3251 1 7 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.229 0.535 18269
3252 1 7 . 1 1 88 88 GLU H H 88 8.045 8.045 7.767 0.278 18269
3253 1 7 . 1 1 89 89 LYS N N 89 119.719 119.719 120.806 -1.087 18269
3254 1 7 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.126 0.012 18269
3255 1 7 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.896 0.234 18269
3256 1 7 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.473 -0.770 18269
3257 1 7 . 1 1 89 89 LYS H H 89 7.530 7.530 8.297 -0.767 18269
3258 1 7 . 1 1 90 90 LEU N N 90 119.550 119.550 119.425 0.125 18269
3259 1 7 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.117 -0.152 18269
3260 1 7 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.633 0.710 18269
3261 1 7 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.558 -0.567 18269
3262 1 7 . 1 1 90 90 LEU H H 90 8.422 8.422 8.275 0.147 18269
3263 1 7 . 1 1 91 91 LYS N N 91 119.180 119.180 117.989 1.191 18269
3264 1 7 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.280 -0.418 18269
3265 1 7 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.060 0.545 18269
3266 1 7 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.171 0.306 18269
3267 1 7 . 1 1 91 91 LYS H H 91 8.218 8.218 7.433 0.785 18269
3268 1 7 . 1 1 92 92 LYS N N 92 113.632 113.632 119.323 -5.691 18269
3269 1 7 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.088 -0.035 18269
3270 1 7 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.466 -0.908 18269
3271 1 7 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.494 -0.560 18269
3272 1 7 . 1 1 92 92 LYS H H 92 6.984 6.984 7.369 -0.385 18269
3273 1 7 . 1 1 93 93 LEU N N 93 119.104 119.104 119.097 0.007 18269
3274 1 7 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.228 0.062 18269
3275 1 7 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.723 -0.619 18269
3276 1 7 . 1 1 93 93 LEU CB C 93 42.102 42.102 42.940 -0.838 18269
3277 1 7 . 1 1 93 93 LEU H H 93 7.456 7.456 7.503 -0.047 18269
3278 1 7 . 1 1 94 94 ASP N N 94 116.790 116.790 114.342 2.448 18269
3279 1 7 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.789 -0.233 18269
3280 1 7 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.908 0.458 18269
3281 1 7 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.637 -1.464 18269
3282 1 7 . 1 1 94 94 ASP H H 94 7.911 7.911 7.773 0.138 18269
3283 1 7 . 1 1 95 95 SER N N 95 122.399 122.399 119.409 2.990 18269
3284 1 7 . 1 1 95 95 SER HA H 95 4.186 4.186 4.245 -0.059 18269
3285 1 7 . 1 1 95 95 SER CA C 95 61.472 61.472 60.552 0.920 18269
3286 1 7 . 1 1 95 95 SER CB C 95 62.568 62.568 63.654 -1.086 18269
3287 1 7 . 1 1 95 95 SER H H 95 8.894 8.894 8.670 0.224 18269
3288 1 7 . 1 1 96 96 GLN N N 96 120.800 120.800 120.805 -0.005 18269
3289 1 7 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.992 -0.130 18269
3290 1 7 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.609 0.542 18269
3291 1 7 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.377 0.040 18269
3292 1 7 . 1 1 96 96 GLN H H 96 8.610 8.610 7.999 0.611 18269
3293 1 7 . 1 1 97 97 ILE N N 97 117.387 117.387 116.354 1.033 18269
3294 1 7 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.656 -0.257 18269
3295 1 7 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.111 2.720 18269
3296 1 7 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.175 0.099 18269
3297 1 7 . 1 1 97 97 ILE H H 97 7.470 7.470 7.759 -0.289 18269
3298 1 7 . 1 1 98 98 CYS N N 98 113.485 113.485 113.399 0.086 18269
3299 1 7 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.704 0.367 18269
3300 1 7 . 1 1 98 98 CYS CA C 98 61.973 61.973 57.954 4.019 18269
3301 1 7 . 1 1 98 98 CYS CB C 98 48.586 48.586 28.535 20.051 18269
3302 1 7 . 1 1 98 98 CYS H H 98 7.410 7.410 7.474 -0.064 18269
3303 1 7 . 1 1 99 99 GLU N N 99 119.123 119.123 122.051 -2.928 18269
3304 1 7 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.117 0.206 18269
3305 1 7 . 1 1 99 99 GLU CA C 99 56.726 56.726 58.884 -2.158 18269
3306 1 7 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.982 -0.003 18269
3307 1 7 . 1 1 99 99 GLU H H 99 7.308 7.308 7.550 -0.242 18269
3308 1 7 . 1 1 100 100 LEU N N 100 115.771 115.771 115.438 0.333 18269
3309 1 7 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.782 0.515 18269
3310 1 7 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.680 -0.998 18269
3311 1 7 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.410 1.551 18269
3312 1 7 . 1 1 100 100 LEU H H 100 6.496 6.496 8.290 -1.794 18269
3313 1 7 . 1 1 101 101 LYS N N 101 125.672 125.672 113.828 11.844 18269
3314 1 7 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.159 0.435 18269
3315 1 7 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.714 -1.364 18269
3316 1 7 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.125 4.598 18269
3317 1 7 . 1 1 101 101 LYS H H 101 8.575 8.575 8.049 0.526 18269
3318 1 7 . 1 1 102 102 TYR N N 102 120.395 120.395 123.719 -3.324 18269
3319 1 7 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.305 0.077 18269
3320 1 7 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.847 1.177 18269
3321 1 7 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.089 -0.761 18269
3322 1 7 . 1 1 102 102 TYR H H 102 8.756 8.756 9.188 -0.432 18269
3323 1 7 . 1 1 103 103 GLU N N 103 121.550 121.550 123.746 -2.196 18269
3324 1 7 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.160 0.232 18269
3325 1 7 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.369 -1.042 18269
3326 1 7 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.936 1.366 18269
3327 1 7 . 1 1 103 103 GLU H H 103 8.835 8.835 8.854 -0.019 18269
3328 1 7 . 1 1 104 104 LYS N N 104 122.957 122.957 125.113 -2.156 18269
3329 1 7 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.473 -0.012 18269
3330 1 7 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.208 -0.934 18269
3331 1 7 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.129 -0.082 18269
3332 1 7 . 1 1 104 104 LYS H H 104 8.490 8.490 8.716 -0.226 18269
3333 1 8 . 1 1 2 2 GLU N N 2 121.590 121.590 120.452 1.138 18269
3334 1 8 . 1 1 2 2 GLU HA H 2 4.294 4.294 3.841 0.453 18269
3335 1 8 . 1 1 2 2 GLU CA C 2 56.517 56.517 59.023 -2.506 18269
3336 1 8 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.219 0.932 18269
3337 1 8 . 1 1 2 2 GLU H H 2 8.621 8.621 9.442 -0.821 18269
3338 1 8 . 1 1 3 3 ALA N N 3 125.815 125.815 122.715 3.100 18269
3339 1 8 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.294 0.072 18269
3340 1 8 . 1 1 3 3 ALA CA C 3 52.657 52.657 53.058 -0.401 18269
3341 1 8 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.999 -0.052 18269
3342 1 8 . 1 1 3 3 ALA H H 3 8.598 8.598 8.019 0.579 18269
3343 1 8 . 1 1 4 4 GLY N N 4 108.386 108.386 107.889 0.497 18269
3344 1 8 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.354 0.783 18269
3345 1 8 . 1 1 4 4 GLY H H 4 8.487 8.487 8.331 0.156 18269
3346 1 8 . 1 1 5 5 GLY N N 5 108.367 108.367 107.849 0.518 18269
3347 1 8 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.842 -0.088 18269
3348 1 8 . 1 1 5 5 GLY H H 5 8.274 8.274 8.077 0.197 18269
3349 1 8 . 1 1 6 6 ARG N N 6 121.577 121.577 115.184 6.393 18269
3350 1 8 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.170 0.505 18269
3351 1 8 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.489 -1.608 18269
3352 1 8 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.904 2.232 18269
3353 1 8 . 1 1 6 6 ARG H H 6 8.297 8.297 7.873 0.424 18269
3354 1 8 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.716 -0.225 18269
3355 1 8 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.138 1.215 18269
3356 1 8 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.000 1.047 18269
3357 1 8 . 1 1 8 8 GLY N N 8 109.658 109.658 108.120 1.538 18269
3358 1 8 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.994 -0.906 18269
3359 1 8 . 1 1 8 8 GLY H H 8 8.660 8.660 8.092 0.568 18269
3360 1 8 . 1 1 9 9 ALA N N 9 123.995 123.995 120.608 3.387 18269
3361 1 8 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.453 -0.013 18269
3362 1 8 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.228 -0.431 18269
3363 1 8 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.116 0.163 18269
3364 1 8 . 1 1 9 9 ALA H H 9 8.200 8.200 7.335 0.865 18269
3365 1 8 . 1 1 10 10 ASP N N 10 119.834 119.834 119.527 0.307 18269
3366 1 8 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.700 -0.043 18269
3367 1 8 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.461 0.079 18269
3368 1 8 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.399 -0.893 18269
3369 1 8 . 1 1 10 10 ASP H H 10 8.290 8.290 8.529 -0.239 18269
3370 1 8 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.369 0.261 18269
3371 1 8 . 1 1 11 11 CYS CA C 11 54.758 54.758 58.996 -4.238 18269
3372 1 8 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.109 15.351 18269
3373 1 8 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.960 0.004 18269
3374 1 8 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.156 1.221 18269
3375 1 8 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.466 1.789 18269
3376 1 8 . 1 1 13 13 VAL N N 13 117.224 117.224 118.421 -1.197 18269
3377 1 8 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.584 0.162 18269
3378 1 8 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.942 -1.896 18269
3379 1 8 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.229 -0.011 18269
3380 1 8 . 1 1 13 13 VAL H H 13 7.040 7.040 8.178 -1.138 18269
3381 1 8 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.141 -0.056 18269
3382 1 8 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.732 -0.287 18269
3383 1 8 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.543 15.676 18269
3384 1 8 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.861 0.198 18269
3385 1 8 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.168 -2.597 18269
3386 1 8 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.028 0.222 18269
3387 1 8 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.095 0.236 18269
3388 1 8 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.373 -0.199 18269
3389 1 8 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.350 0.056 18269
3390 1 8 . 1 1 16 16 GLU H H 16 8.098 8.098 8.183 -0.085 18269
3391 1 8 . 1 1 17 17 PHE N N 17 120.745 120.745 121.255 -0.510 18269
3392 1 8 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.273 0.042 18269
3393 1 8 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.884 0.630 18269
3394 1 8 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.203 1.310 18269
3395 1 8 . 1 1 17 17 PHE H H 17 9.126 9.126 7.971 1.155 18269
3396 1 8 . 1 1 18 18 LEU N N 18 115.787 115.787 119.482 -3.695 18269
3397 1 8 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.857 0.286 18269
3398 1 8 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.545 -0.668 18269
3399 1 8 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.415 -0.463 18269
3400 1 8 . 1 1 18 18 LEU H H 18 8.505 8.505 8.873 -0.368 18269
3401 1 8 . 1 1 19 19 ASN N N 19 117.635 117.635 116.545 1.090 18269
3402 1 8 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.421 0.455 18269
3403 1 8 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.300 0.174 18269
3404 1 8 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.531 -0.203 18269
3405 1 8 . 1 1 19 19 ASN H H 19 8.405 8.405 8.194 0.211 18269
3406 1 8 . 1 1 20 20 ARG N N 20 122.851 122.851 119.174 3.677 18269
3407 1 8 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.073 0.044 18269
3408 1 8 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.765 0.524 18269
3409 1 8 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.139 0.316 18269
3410 1 8 . 1 1 20 20 ARG H H 20 8.325 8.325 7.881 0.444 18269
3411 1 8 . 1 1 21 21 PHE N N 21 121.774 121.774 121.691 0.083 18269
3412 1 8 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.293 -0.013 18269
3413 1 8 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.348 -1.337 18269
3414 1 8 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.204 -0.193 18269
3415 1 8 . 1 1 21 21 PHE H H 21 8.438 8.438 7.885 0.553 18269
3416 1 8 . 1 1 22 22 TYR N N 22 119.937 119.937 121.478 -1.541 18269
3417 1 8 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.816 -0.027 18269
3418 1 8 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.991 -0.339 18269
3419 1 8 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.535 -0.261 18269
3420 1 8 . 1 1 22 22 TYR H H 22 8.708 8.708 8.849 -0.141 18269
3421 1 8 . 1 1 23 23 LYS N N 23 116.431 116.431 116.462 -0.031 18269
3422 1 8 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.063 -0.204 18269
3423 1 8 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.523 0.620 18269
3424 1 8 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.569 0.648 18269
3425 1 8 . 1 1 23 23 LYS H H 23 7.928 7.928 8.312 -0.384 18269
3426 1 8 . 1 1 24 24 SER N N 24 113.888 113.888 117.866 -3.978 18269
3427 1 8 . 1 1 24 24 SER HA H 24 4.325 4.325 4.411 -0.086 18269
3428 1 8 . 1 1 24 24 SER CA C 24 61.016 61.016 62.203 -1.187 18269
3429 1 8 . 1 1 24 24 SER CB C 24 62.837 62.837 62.989 -0.152 18269
3430 1 8 . 1 1 24 24 SER H H 24 7.665 7.665 7.822 -0.157 18269
3431 1 8 . 1 1 25 25 LEU N N 25 119.663 119.663 121.686 -2.023 18269
3432 1 8 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.058 -0.379 18269
3433 1 8 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.297 0.208 18269
3434 1 8 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.506 0.396 18269
3435 1 8 . 1 1 25 25 LEU H H 25 7.573 7.573 7.953 -0.380 18269
3436 1 8 . 1 1 26 26 ILE N N 26 119.781 119.781 118.401 1.380 18269
3437 1 8 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.711 0.145 18269
3438 1 8 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.941 0.608 18269
3439 1 8 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.842 0.463 18269
3440 1 8 . 1 1 26 26 ILE H H 26 8.094 8.094 7.046 1.048 18269
3441 1 8 . 1 1 27 27 ASP N N 27 122.421 122.421 119.563 2.858 18269
3442 1 8 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.363 0.013 18269
3443 1 8 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.563 0.457 18269
3444 1 8 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.793 -0.713 18269
3445 1 8 . 1 1 27 27 ASP H H 27 9.091 9.091 8.308 0.783 18269
3446 1 8 . 1 1 28 28 ARG N N 28 115.349 115.349 116.840 -1.491 18269
3447 1 8 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.212 0.093 18269
3448 1 8 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.402 0.096 18269
3449 1 8 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.998 0.615 18269
3450 1 8 . 1 1 28 28 ARG H H 28 7.587 7.587 8.141 -0.554 18269
3451 1 8 . 1 1 29 29 GLY N N 29 109.999 109.999 107.542 2.457 18269
3452 1 8 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.842 0.819 18269
3453 1 8 . 1 1 29 29 GLY H H 29 7.909 7.909 7.754 0.155 18269
3454 1 8 . 1 1 30 30 VAL N N 30 118.740 118.740 114.053 4.687 18269
3455 1 8 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.247 -0.488 18269
3456 1 8 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.035 0.435 18269
3457 1 8 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.078 0.248 18269
3458 1 8 . 1 1 30 30 VAL H H 30 7.701 7.701 7.374 0.327 18269
3459 1 8 . 1 1 31 31 ASN N N 31 123.250 123.250 118.594 4.656 18269
3460 1 8 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.559 0.154 18269
3461 1 8 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.500 -0.012 18269
3462 1 8 . 1 1 31 31 ASN CB C 31 39.211 39.211 38.448 0.763 18269
3463 1 8 . 1 1 31 31 ASN H H 31 8.498 8.498 7.990 0.508 18269
3464 1 8 . 1 1 32 32 PHE N N 32 126.076 126.076 118.340 7.736 18269
3465 1 8 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.841 -0.703 18269
3466 1 8 . 1 1 32 32 PHE CA C 32 58.647 58.647 57.337 1.310 18269
3467 1 8 . 1 1 32 32 PHE CB C 32 36.779 36.779 39.762 -2.983 18269
3468 1 8 . 1 1 32 32 PHE H H 32 8.783 8.783 8.061 0.722 18269
3469 1 8 . 1 1 33 33 SER N N 33 115.958 115.958 116.925 -0.967 18269
3470 1 8 . 1 1 33 33 SER HA H 33 4.736 4.736 4.757 -0.021 18269
3471 1 8 . 1 1 33 33 SER CA C 33 56.745 56.745 56.636 0.109 18269
3472 1 8 . 1 1 33 33 SER CB C 33 64.899 64.899 64.729 0.170 18269
3473 1 8 . 1 1 33 33 SER H H 33 7.699 7.699 7.502 0.197 18269
3474 1 8 . 1 1 34 34 LEU N N 34 124.359 124.359 127.044 -2.685 18269
3475 1 8 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.023 -0.170 18269
3476 1 8 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.088 1.583 18269
3477 1 8 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.541 0.005 18269
3478 1 8 . 1 1 34 34 LEU H H 34 8.935 8.935 8.919 0.016 18269
3479 1 8 . 1 1 35 35 ASP N N 35 115.345 115.345 116.698 -1.353 18269
3480 1 8 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.422 -0.044 18269
3481 1 8 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.252 -0.394 18269
3482 1 8 . 1 1 35 35 ASP CB C 35 40.160 40.160 39.733 0.426 18269
3483 1 8 . 1 1 35 35 ASP H H 35 8.575 8.575 8.646 -0.071 18269
3484 1 8 . 1 1 36 36 THR N N 36 116.789 116.789 116.489 0.300 18269
3485 1 8 . 1 1 36 36 THR HA H 36 4.015 4.015 4.259 -0.244 18269
3486 1 8 . 1 1 36 36 THR CA C 36 66.069 66.069 66.191 -0.122 18269
3487 1 8 . 1 1 36 36 THR CB C 36 68.780 68.780 68.771 0.009 18269
3488 1 8 . 1 1 36 36 THR H H 36 7.593 7.593 7.159 0.434 18269
3489 1 8 . 1 1 37 37 ILE N N 37 120.685 120.685 121.753 -1.068 18269
3490 1 8 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.737 -0.368 18269
3491 1 8 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.800 0.000 18269
3492 1 8 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.299 -0.208 18269
3493 1 8 . 1 1 37 37 ILE H H 37 8.436 8.436 8.726 -0.290 18269
3494 1 8 . 1 1 38 38 GLU N N 38 118.792 118.792 120.892 -2.100 18269
3495 1 8 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.923 -0.245 18269
3496 1 8 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.925 1.135 18269
3497 1 8 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.553 0.318 18269
3498 1 8 . 1 1 38 38 GLU H H 38 8.122 8.122 8.203 -0.081 18269
3499 1 8 . 1 1 39 39 LYS N N 39 116.986 116.986 119.765 -2.779 18269
3500 1 8 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.093 -0.132 18269
3501 1 8 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.700 1.046 18269
3502 1 8 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.860 0.450 18269
3503 1 8 . 1 1 39 39 LYS H H 39 7.586 7.586 7.765 -0.179 18269
3504 1 8 . 1 1 40 40 GLU N N 40 117.892 117.892 119.729 -1.837 18269
3505 1 8 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.260 -0.055 18269
3506 1 8 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.396 -1.037 18269
3507 1 8 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.530 -0.952 18269
3508 1 8 . 1 1 40 40 GLU H H 40 8.690 8.690 8.586 0.104 18269
3509 1 8 . 1 1 41 41 LEU N N 41 125.830 125.830 121.666 4.164 18269
3510 1 8 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.628 -0.081 18269
3511 1 8 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.844 -0.017 18269
3512 1 8 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.739 -1.401 18269
3513 1 8 . 1 1 41 41 LEU H H 41 8.978 8.978 8.264 0.714 18269
3514 1 8 . 1 1 42 42 ILE N N 42 119.900 119.900 119.785 0.115 18269
3515 1 8 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.533 0.051 18269
3516 1 8 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.659 0.173 18269
3517 1 8 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.590 0.200 18269
3518 1 8 . 1 1 42 42 ILE H H 42 7.884 7.884 7.808 0.076 18269
3519 1 8 . 1 1 43 43 SER N N 43 114.071 114.071 116.694 -2.623 18269
3520 1 8 . 1 1 43 43 SER HA H 43 4.277 4.277 4.135 0.142 18269
3521 1 8 . 1 1 43 43 SER CA C 43 61.598 61.598 61.774 -0.176 18269
3522 1 8 . 1 1 43 43 SER CB C 43 62.767 62.767 63.207 -0.440 18269
3523 1 8 . 1 1 43 43 SER H H 43 7.791 7.791 8.278 -0.487 18269
3524 1 8 . 1 1 44 44 PHE N N 44 125.036 125.036 122.075 2.961 18269
3525 1 8 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.372 -0.043 18269
3526 1 8 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.893 -0.636 18269
3527 1 8 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.505 1.125 18269
3528 1 8 . 1 1 44 44 PHE H H 44 9.060 9.060 8.759 0.301 18269
3529 1 8 . 1 1 45 45 CYS N N 45 112.824 112.824 120.096 -7.272 18269
3530 1 8 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.597 0.009 18269
3531 1 8 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.576 -2.340 18269
3532 1 8 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.837 16.786 18269
3533 1 8 . 1 1 45 45 CYS H H 45 8.254 8.254 8.210 0.044 18269
3534 1 8 . 1 1 46 46 LEU N N 46 123.875 123.875 119.966 3.909 18269
3535 1 8 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.346 -0.171 18269
3536 1 8 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.949 1.202 18269
3537 1 8 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.336 -0.084 18269
3538 1 8 . 1 1 46 46 LEU H H 46 7.776 7.776 7.940 -0.164 18269
3539 1 8 . 1 1 47 47 ASP N N 47 116.880 116.880 120.112 -3.232 18269
3540 1 8 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.828 0.082 18269
3541 1 8 . 1 1 47 47 ASP CA C 47 53.585 53.585 53.217 0.368 18269
3542 1 8 . 1 1 47 47 ASP CB C 47 40.375 40.375 40.056 0.319 18269
3543 1 8 . 1 1 47 47 ASP H H 47 7.852 7.852 8.147 -0.295 18269
3544 1 8 . 1 1 48 48 THR N N 48 108.053 108.053 112.307 -4.254 18269
3545 1 8 . 1 1 48 48 THR HA H 48 4.461 4.461 4.502 -0.041 18269
3546 1 8 . 1 1 48 48 THR CA C 48 60.844 60.844 60.547 0.297 18269
3547 1 8 . 1 1 48 48 THR CB C 48 73.395 73.395 71.673 1.722 18269
3548 1 8 . 1 1 48 48 THR H H 48 7.139 7.139 7.482 -0.343 18269
3549 1 8 . 1 1 49 49 LYS N N 49 118.308 118.308 119.570 -1.262 18269
3550 1 8 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.615 0.103 18269
3551 1 8 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.596 -0.552 18269
3552 1 8 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.287 3.283 18269
3553 1 8 . 1 1 49 49 LYS H H 49 8.755 8.755 9.225 -0.470 18269
3554 1 8 . 1 1 50 50 GLY N N 50 108.996 108.996 109.965 -0.969 18269
3555 1 8 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.840 -0.997 18269
3556 1 8 . 1 1 50 50 GLY H H 50 8.866 8.866 8.793 0.073 18269
3557 1 8 . 1 1 51 51 LYS N N 51 126.155 126.155 121.314 4.841 18269
3558 1 8 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.030 -0.060 18269
3559 1 8 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.704 -0.594 18269
3560 1 8 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.955 0.664 18269
3561 1 8 . 1 1 51 51 LYS H H 51 9.254 9.254 8.654 0.600 18269
3562 1 8 . 1 1 52 52 GLU N N 52 116.496 116.496 118.936 -2.440 18269
3563 1 8 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.175 -0.652 18269
3564 1 8 . 1 1 52 52 GLU CA C 52 59.390 59.390 58.987 0.403 18269
3565 1 8 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.739 -1.053 18269
3566 1 8 . 1 1 52 52 GLU H H 52 8.223 8.223 8.277 -0.054 18269
3567 1 8 . 1 1 53 53 ASN N N 53 119.000 119.000 119.687 -0.687 18269
3568 1 8 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.733 -0.349 18269
3569 1 8 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.859 1.119 18269
3570 1 8 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.662 0.784 18269
3571 1 8 . 1 1 53 53 ASN H H 53 6.840 6.840 8.770 -1.930 18269
3572 1 8 . 1 1 54 54 ARG N N 54 118.480 118.480 119.382 -0.902 18269
3573 1 8 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.131 -0.362 18269
3574 1 8 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.608 -0.211 18269
3575 1 8 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.827 -1.087 18269
3576 1 8 . 1 1 54 54 ARG H H 54 7.456 7.456 8.232 -0.776 18269
3577 1 8 . 1 1 55 55 LEU N N 55 118.688 118.688 121.602 -2.914 18269
3578 1 8 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.211 -0.403 18269
3579 1 8 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.961 0.499 18269
3580 1 8 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.877 -1.757 18269
3581 1 8 . 1 1 55 55 LEU H H 55 7.843 7.843 7.796 0.047 18269
3582 1 8 . 1 1 56 56 CYS N N 56 115.905 115.905 116.293 -0.388 18269
3583 1 8 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.955 -0.082 18269
3584 1 8 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.046 2.991 18269
3585 1 8 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.126 16.779 18269
3586 1 8 . 1 1 56 56 CYS H H 56 7.752 7.752 7.787 -0.035 18269
3587 1 8 . 1 1 57 57 TYR N N 57 121.810 121.810 120.611 1.199 18269
3588 1 8 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.202 -0.059 18269
3589 1 8 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.048 0.266 18269
3590 1 8 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.648 -0.594 18269
3591 1 8 . 1 1 57 57 TYR H H 57 7.911 7.911 7.573 0.338 18269
3592 1 8 . 1 1 58 58 TYR N N 58 121.916 121.916 115.329 6.587 18269
3593 1 8 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.426 -0.051 18269
3594 1 8 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.290 -0.281 18269
3595 1 8 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.044 -0.020 18269
3596 1 8 . 1 1 58 58 TYR H H 58 8.334 8.334 7.119 1.215 18269
3597 1 8 . 1 1 59 59 LEU N N 59 114.461 114.461 116.273 -1.812 18269
3598 1 8 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.154 -0.034 18269
3599 1 8 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.519 -0.290 18269
3600 1 8 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.379 -0.334 18269
3601 1 8 . 1 1 59 59 LEU H H 59 8.079 8.079 7.439 0.640 18269
3602 1 8 . 1 1 60 60 GLY N N 60 102.559 102.559 104.573 -2.014 18269
3603 1 8 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.677 -0.105 18269
3604 1 8 . 1 1 60 60 GLY H H 60 7.562 7.562 7.801 -0.239 18269
3605 1 8 . 1 1 61 61 ALA N N 61 120.327 120.327 124.813 -4.486 18269
3606 1 8 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.006 0.395 18269
3607 1 8 . 1 1 61 61 ALA CA C 61 51.265 51.265 54.763 -3.498 18269
3608 1 8 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.596 1.740 18269
3609 1 8 . 1 1 61 61 ALA H H 61 7.995 7.995 7.821 0.174 18269
3610 1 8 . 1 1 62 62 THR N N 62 106.895 106.895 106.662 0.233 18269
3611 1 8 . 1 1 62 62 THR HA H 62 4.518 4.518 4.011 0.507 18269
3612 1 8 . 1 1 62 62 THR CA C 62 59.982 59.982 62.736 -2.754 18269
3613 1 8 . 1 1 62 62 THR CB C 62 70.540 70.540 68.203 2.337 18269
3614 1 8 . 1 1 62 62 THR H H 62 7.156 7.156 7.293 -0.137 18269
3615 1 8 . 1 1 63 63 LYS N N 63 121.251 121.251 117.664 3.587 18269
3616 1 8 . 1 1 63 63 LYS HA H 63 4.097 4.097 3.900 0.197 18269
3617 1 8 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.172 0.100 18269
3618 1 8 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.316 0.839 18269
3619 1 8 . 1 1 63 63 LYS H H 63 8.626 8.626 7.702 0.924 18269
3620 1 8 . 1 1 64 64 ASP N N 64 116.607 116.607 117.289 -0.682 18269
3621 1 8 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.545 0.012 18269
3622 1 8 . 1 1 64 64 ASP CA C 64 53.902 53.902 55.263 -1.361 18269
3623 1 8 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.047 -0.941 18269
3624 1 8 . 1 1 64 64 ASP H H 64 8.441 8.441 8.090 0.351 18269
3625 1 8 . 1 1 65 65 ALA N N 65 122.486 122.486 121.750 0.736 18269
3626 1 8 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.456 -0.371 18269
3627 1 8 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.075 1.474 18269
3628 1 8 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.399 -0.842 18269
3629 1 8 . 1 1 65 65 ALA H H 65 7.368 7.368 7.397 -0.029 18269
3630 1 8 . 1 1 66 66 ALA N N 66 124.171 124.171 121.443 2.728 18269
3631 1 8 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.250 0.194 18269
3632 1 8 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.469 0.002 18269
3633 1 8 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.424 -0.159 18269
3634 1 8 . 1 1 66 66 ALA H H 66 8.300 8.300 8.382 -0.082 18269
3635 1 8 . 1 1 67 67 THR N N 67 111.638 111.638 115.899 -4.261 18269
3636 1 8 . 1 1 67 67 THR HA H 67 4.496 4.496 4.066 0.430 18269
3637 1 8 . 1 1 67 67 THR CA C 67 60.881 60.881 64.841 -3.959 18269
3638 1 8 . 1 1 67 67 THR CB C 67 70.199 70.199 69.015 1.184 18269
3639 1 8 . 1 1 67 67 THR H H 67 7.730 7.730 8.337 -0.607 18269
3640 1 8 . 1 1 68 68 LYS N N 68 121.732 121.732 122.027 -0.295 18269
3641 1 8 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.225 0.311 18269
3642 1 8 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.457 -1.895 18269
3643 1 8 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.307 0.792 18269
3644 1 8 . 1 1 68 68 LYS H H 68 8.502 8.502 8.237 0.265 18269
3645 1 8 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.955 0.384 18269
3646 1 8 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.711 -2.005 18269
3647 1 8 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.626 0.174 18269
3648 1 8 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.198 -0.067 18269
3649 1 8 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.004 0.612 18269
3650 1 8 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.847 -0.109 18269
3651 1 8 . 1 1 71 71 SER HA H 71 4.817 4.817 4.208 0.609 18269
3652 1 8 . 1 1 71 71 SER CA C 71 60.667 60.667 61.207 -0.540 18269
3653 1 8 . 1 1 71 71 SER CB C 71 62.646 62.646 63.046 -0.400 18269
3654 1 8 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.091 0.173 18269
3655 1 8 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.095 -2.466 18269
3656 1 8 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.493 -1.246 18269
3657 1 8 . 1 1 73 73 VAL N N 73 114.786 114.786 115.886 -1.100 18269
3658 1 8 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.077 0.025 18269
3659 1 8 . 1 1 73 73 VAL CA C 73 63.741 63.741 64.915 -1.174 18269
3660 1 8 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.277 0.988 18269
3661 1 8 . 1 1 73 73 VAL H H 73 7.812 7.812 7.469 0.343 18269
3662 1 8 . 1 1 74 74 THR HA H 74 3.767 3.767 4.041 -0.274 18269
3663 1 8 . 1 1 74 74 THR CA C 74 65.584 65.584 65.872 -0.288 18269
3664 1 8 . 1 1 74 74 THR CB C 74 67.470 67.470 68.655 -1.185 18269
3665 1 8 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.276 -0.030 18269
3666 1 8 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.121 2.262 18269
3667 1 8 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.511 1.109 18269
3668 1 8 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.548 -0.063 18269
3669 1 8 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.922 0.775 18269
3670 1 8 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.540 -0.645 18269
3671 1 8 . 1 1 77 77 MET N N 77 117.583 117.583 116.467 1.116 18269
3672 1 8 . 1 1 77 77 MET HA H 77 4.684 4.684 4.466 0.218 18269
3673 1 8 . 1 1 77 77 MET CA C 77 59.347 59.347 55.874 3.473 18269
3674 1 8 . 1 1 77 77 MET CB C 77 32.996 32.996 31.369 1.627 18269
3675 1 8 . 1 1 77 77 MET H H 77 7.685 7.685 7.897 -0.212 18269
3676 1 8 . 1 1 78 78 SER N N 78 114.578 114.578 114.469 0.109 18269
3677 1 8 . 1 1 78 78 SER HA H 78 4.226 4.226 4.384 -0.158 18269
3678 1 8 . 1 1 78 78 SER CA C 78 61.922 61.922 60.030 1.892 18269
3679 1 8 . 1 1 78 78 SER CB C 78 62.406 62.406 63.477 -1.071 18269
3680 1 8 . 1 1 78 78 SER H H 78 8.285 8.285 7.485 0.800 18269
3681 1 8 . 1 1 79 79 VAL N N 79 111.248 111.248 117.455 -6.207 18269
3682 1 8 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.297 0.454 18269
3683 1 8 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.303 -0.177 18269
3684 1 8 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.170 -4.824 18269
3685 1 8 . 1 1 79 79 VAL H H 79 7.004 7.004 7.101 -0.097 18269
3686 1 8 . 1 1 80 80 HIS N N 80 116.703 116.703 121.343 -4.640 18269
3687 1 8 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.622 -0.506 18269
3688 1 8 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.260 0.566 18269
3689 1 8 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.357 -3.468 18269
3690 1 8 . 1 1 80 80 HIS H H 80 8.289 8.289 8.588 -0.299 18269
3691 1 8 . 1 1 81 81 MET N N 81 120.978 120.978 124.371 -3.393 18269
3692 1 8 . 1 1 81 81 MET HA H 81 4.512 4.512 4.747 -0.235 18269
3693 1 8 . 1 1 81 81 MET CA C 81 55.007 55.007 52.859 2.148 18269
3694 1 8 . 1 1 81 81 MET CB C 81 33.265 33.265 34.534 -1.269 18269
3695 1 8 . 1 1 81 81 MET H H 81 8.006 8.006 8.027 -0.021 18269
3696 1 8 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.160 0.181 18269
3697 1 8 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.809 -1.573 18269
3698 1 8 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.594 2.069 18269
3699 1 8 . 1 1 83 83 ALA N N 83 126.545 126.545 120.873 5.672 18269
3700 1 8 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.914 0.032 18269
3701 1 8 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.096 0.877 18269
3702 1 8 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.120 1.355 18269
3703 1 8 . 1 1 83 83 ALA H H 83 9.196 9.196 8.259 0.937 18269
3704 1 8 . 1 1 84 84 MET N N 84 114.734 114.734 115.766 -1.032 18269
3705 1 8 . 1 1 84 84 MET HA H 84 4.024 4.024 4.266 -0.242 18269
3706 1 8 . 1 1 84 84 MET CA C 84 58.812 58.812 58.097 0.715 18269
3707 1 8 . 1 1 84 84 MET CB C 84 32.242 32.242 32.155 0.087 18269
3708 1 8 . 1 1 84 84 MET H H 84 9.289 9.289 8.121 1.168 18269
3709 1 8 . 1 1 85 85 LYS N N 85 116.490 116.490 116.582 -0.092 18269
3710 1 8 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.273 -0.099 18269
3711 1 8 . 1 1 85 85 LYS CA C 85 58.116 58.116 57.515 0.601 18269
3712 1 8 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.444 -0.651 18269
3713 1 8 . 1 1 85 85 LYS H H 85 6.997 6.997 7.972 -0.975 18269
3714 1 8 . 1 1 86 86 ILE N N 86 120.561 120.561 122.000 -1.439 18269
3715 1 8 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.651 -0.036 18269
3716 1 8 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.503 0.775 18269
3717 1 8 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.724 -0.204 18269
3718 1 8 . 1 1 86 86 ILE H H 86 7.875 7.875 8.006 -0.131 18269
3719 1 8 . 1 1 87 87 CYS N N 87 117.323 117.323 117.494 -0.171 18269
3720 1 8 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.115 -0.039 18269
3721 1 8 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.226 -0.166 18269
3722 1 8 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.815 16.918 18269
3723 1 8 . 1 1 87 87 CYS H H 87 8.643 8.643 7.681 0.962 18269
3724 1 8 . 1 1 88 88 GLU N N 88 118.070 118.070 119.151 -1.081 18269
3725 1 8 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.171 -0.223 18269
3726 1 8 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.725 1.038 18269
3727 1 8 . 1 1 88 88 GLU CB C 88 29.764 29.764 30.010 -0.246 18269
3728 1 8 . 1 1 88 88 GLU H H 88 8.045 8.045 7.516 0.529 18269
3729 1 8 . 1 1 89 89 LYS N N 89 119.719 119.719 120.672 -0.953 18269
3730 1 8 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.071 0.067 18269
3731 1 8 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.172 -0.042 18269
3732 1 8 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.361 -0.658 18269
3733 1 8 . 1 1 89 89 LYS H H 89 7.530 7.530 8.220 -0.690 18269
3734 1 8 . 1 1 90 90 LEU N N 90 119.550 119.550 119.190 0.360 18269
3735 1 8 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.083 -0.118 18269
3736 1 8 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.824 0.519 18269
3737 1 8 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.304 -0.313 18269
3738 1 8 . 1 1 90 90 LEU H H 90 8.422 8.422 8.055 0.367 18269
3739 1 8 . 1 1 91 91 LYS N N 91 119.180 119.180 119.265 -0.085 18269
3740 1 8 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.340 -0.478 18269
3741 1 8 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.638 -0.033 18269
3742 1 8 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.022 0.455 18269
3743 1 8 . 1 1 91 91 LYS H H 91 8.218 8.218 7.623 0.595 18269
3744 1 8 . 1 1 92 92 LYS N N 92 113.632 113.632 119.896 -6.264 18269
3745 1 8 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.092 -0.039 18269
3746 1 8 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.980 -1.422 18269
3747 1 8 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.332 -0.398 18269
3748 1 8 . 1 1 92 92 LYS H H 92 6.984 6.984 7.475 -0.491 18269
3749 1 8 . 1 1 93 93 LEU N N 93 119.104 119.104 117.073 2.031 18269
3750 1 8 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.335 -0.045 18269
3751 1 8 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.663 0.441 18269
3752 1 8 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.386 -1.284 18269
3753 1 8 . 1 1 93 93 LEU H H 93 7.456 7.456 7.580 -0.124 18269
3754 1 8 . 1 1 94 94 ASP N N 94 116.790 116.790 117.976 -1.186 18269
3755 1 8 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.721 -0.165 18269
3756 1 8 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.530 0.836 18269
3757 1 8 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.312 -2.139 18269
3758 1 8 . 1 1 94 94 ASP H H 94 7.911 7.911 8.254 -0.343 18269
3759 1 8 . 1 1 95 95 SER N N 95 122.399 122.399 120.727 1.672 18269
3760 1 8 . 1 1 95 95 SER HA H 95 4.186 4.186 4.331 -0.145 18269
3761 1 8 . 1 1 95 95 SER CA C 95 61.472 61.472 60.623 0.849 18269
3762 1 8 . 1 1 95 95 SER CB C 95 62.568 62.568 63.341 -0.773 18269
3763 1 8 . 1 1 95 95 SER H H 95 8.894 8.894 8.753 0.141 18269
3764 1 8 . 1 1 96 96 GLN N N 96 120.800 120.800 122.527 -1.727 18269
3765 1 8 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.076 -0.214 18269
3766 1 8 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.579 0.572 18269
3767 1 8 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.978 0.439 18269
3768 1 8 . 1 1 96 96 GLN H H 96 8.610 8.610 7.911 0.699 18269
3769 1 8 . 1 1 97 97 ILE N N 97 117.387 117.387 117.589 -0.202 18269
3770 1 8 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.692 -0.293 18269
3771 1 8 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.472 2.359 18269
3772 1 8 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.092 0.182 18269
3773 1 8 . 1 1 97 97 ILE H H 97 7.470 7.470 8.431 -0.961 18269
3774 1 8 . 1 1 98 98 CYS N N 98 113.485 113.485 118.716 -5.231 18269
3775 1 8 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.390 0.681 18269
3776 1 8 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.202 2.771 18269
3777 1 8 . 1 1 98 98 CYS CB C 98 48.586 48.586 28.344 20.242 18269
3778 1 8 . 1 1 98 98 CYS H H 98 7.410 7.410 7.196 0.214 18269
3779 1 8 . 1 1 99 99 GLU N N 99 119.123 119.123 119.571 -0.448 18269
3780 1 8 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.369 -0.046 18269
3781 1 8 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.000 0.726 18269
3782 1 8 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.717 1.262 18269
3783 1 8 . 1 1 99 99 GLU H H 99 7.308 7.308 7.863 -0.555 18269
3784 1 8 . 1 1 100 100 LEU N N 100 115.771 115.771 121.060 -5.289 18269
3785 1 8 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.056 0.241 18269
3786 1 8 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.880 -0.198 18269
3787 1 8 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.629 0.332 18269
3788 1 8 . 1 1 100 100 LEU H H 100 6.496 6.496 7.272 -0.776 18269
3789 1 8 . 1 1 101 101 LYS N N 101 125.672 125.672 114.687 10.985 18269
3790 1 8 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.035 0.559 18269
3791 1 8 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.531 -1.181 18269
3792 1 8 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.154 4.569 18269
3793 1 8 . 1 1 101 101 LYS H H 101 8.575 8.575 8.095 0.480 18269
3794 1 8 . 1 1 102 102 TYR N N 102 120.395 120.395 121.489 -1.094 18269
3795 1 8 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.452 -0.070 18269
3796 1 8 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.115 1.909 18269
3797 1 8 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.265 -0.937 18269
3798 1 8 . 1 1 102 102 TYR H H 102 8.756 8.756 8.249 0.507 18269
3799 1 8 . 1 1 103 103 GLU N N 103 121.550 121.550 122.948 -1.398 18269
3800 1 8 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.379 0.013 18269
3801 1 8 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.389 -0.062 18269
3802 1 8 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.794 2.509 18269
3803 1 8 . 1 1 103 103 GLU H H 103 8.835 8.835 9.125 -0.290 18269
3804 1 8 . 1 1 104 104 LYS N N 104 122.957 122.957 124.607 -1.650 18269
3805 1 8 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.249 0.212 18269
3806 1 8 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.457 -0.183 18269
3807 1 8 . 1 1 104 104 LYS CB C 104 33.047 33.047 30.883 2.164 18269
3808 1 8 . 1 1 104 104 LYS H H 104 8.490 8.490 8.292 0.198 18269
3809 1 9 . 1 1 2 2 GLU N N 2 121.590 121.590 122.226 -0.636 18269
3810 1 9 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.644 -0.350 18269
3811 1 9 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.039 0.478 18269
3812 1 9 . 1 1 2 2 GLU CB C 2 30.151 30.151 32.405 -2.254 18269
3813 1 9 . 1 1 2 2 GLU H H 2 8.621 8.621 8.319 0.302 18269
3814 1 9 . 1 1 3 3 ALA N N 3 125.815 125.815 121.871 3.944 18269
3815 1 9 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.767 -0.401 18269
3816 1 9 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.471 1.187 18269
3817 1 9 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.827 -1.880 18269
3818 1 9 . 1 1 3 3 ALA H H 3 8.598 8.598 9.759 -1.161 18269
3819 1 9 . 1 1 4 4 GLY N N 4 108.386 108.386 107.710 0.676 18269
3820 1 9 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.084 -0.947 18269
3821 1 9 . 1 1 4 4 GLY H H 4 8.487 8.487 7.813 0.674 18269
3822 1 9 . 1 1 5 5 GLY N N 5 108.367 108.367 113.293 -4.926 18269
3823 1 9 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.658 0.096 18269
3824 1 9 . 1 1 5 5 GLY H H 5 8.274 8.274 8.311 -0.037 18269
3825 1 9 . 1 1 6 6 ARG N N 6 121.577 121.577 121.243 0.334 18269
3826 1 9 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.732 -0.057 18269
3827 1 9 . 1 1 6 6 ARG CA C 6 53.881 53.881 52.892 0.989 18269
3828 1 9 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.756 -0.621 18269
3829 1 9 . 1 1 6 6 ARG H H 6 8.297 8.297 8.059 0.238 18269
3830 1 9 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.580 -0.089 18269
3831 1 9 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.418 0.935 18269
3832 1 9 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.328 1.719 18269
3833 1 9 . 1 1 8 8 GLY N N 8 109.658 109.658 108.756 0.902 18269
3834 1 9 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.074 -0.986 18269
3835 1 9 . 1 1 8 8 GLY H H 8 8.660 8.660 8.188 0.472 18269
3836 1 9 . 1 1 9 9 ALA N N 9 123.995 123.995 120.124 3.871 18269
3837 1 9 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.621 -0.181 18269
3838 1 9 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.792 -0.995 18269
3839 1 9 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.247 0.032 18269
3840 1 9 . 1 1 9 9 ALA H H 9 8.200 8.200 7.848 0.352 18269
3841 1 9 . 1 1 10 10 ASP N N 10 119.834 119.834 118.878 0.956 18269
3842 1 9 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.769 -0.112 18269
3843 1 9 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.594 -0.055 18269
3844 1 9 . 1 1 10 10 ASP CB C 10 41.506 41.506 43.107 -1.601 18269
3845 1 9 . 1 1 10 10 ASP H H 10 8.290 8.290 8.217 0.073 18269
3846 1 9 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.755 -0.125 18269
3847 1 9 . 1 1 11 11 CYS CA C 11 54.758 54.758 58.822 -4.064 18269
3848 1 9 . 1 1 11 11 CYS CB C 11 40.460 40.460 28.167 12.293 18269
3849 1 9 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.966 -0.002 18269
3850 1 9 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.401 0.976 18269
3851 1 9 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.731 1.524 18269
3852 1 9 . 1 1 13 13 VAL N N 13 117.224 117.224 118.588 -1.364 18269
3853 1 9 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.665 0.081 18269
3854 1 9 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.769 -1.724 18269
3855 1 9 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.098 0.120 18269
3856 1 9 . 1 1 13 13 VAL H H 13 7.040 7.040 7.999 -0.959 18269
3857 1 9 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.030 0.055 18269
3858 1 9 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.535 -1.090 18269
3859 1 9 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.361 15.858 18269
3860 1 9 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.102 -0.043 18269
3861 1 9 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.950 -2.379 18269
3862 1 9 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.242 0.008 18269
3863 1 9 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.117 0.214 18269
3864 1 9 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.846 -0.672 18269
3865 1 9 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.656 -0.250 18269
3866 1 9 . 1 1 16 16 GLU H H 16 8.098 8.098 8.660 -0.562 18269
3867 1 9 . 1 1 17 17 PHE N N 17 120.745 120.745 121.314 -0.569 18269
3868 1 9 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.637 -0.322 18269
3869 1 9 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.973 0.541 18269
3870 1 9 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.532 0.981 18269
3871 1 9 . 1 1 17 17 PHE H H 17 9.126 9.126 8.294 0.832 18269
3872 1 9 . 1 1 18 18 LEU N N 18 115.787 115.787 118.688 -2.901 18269
3873 1 9 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.042 0.101 18269
3874 1 9 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.140 -0.263 18269
3875 1 9 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.540 -0.588 18269
3876 1 9 . 1 1 18 18 LEU H H 18 8.505 8.505 8.236 0.269 18269
3877 1 9 . 1 1 19 19 ASN N N 19 117.635 117.635 117.873 -0.238 18269
3878 1 9 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.449 0.427 18269
3879 1 9 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.972 -0.499 18269
3880 1 9 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.970 -0.642 18269
3881 1 9 . 1 1 19 19 ASN H H 19 8.405 8.405 8.457 -0.052 18269
3882 1 9 . 1 1 20 20 ARG N N 20 122.851 122.851 118.923 3.928 18269
3883 1 9 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.065 0.052 18269
3884 1 9 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.361 0.928 18269
3885 1 9 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.111 0.344 18269
3886 1 9 . 1 1 20 20 ARG H H 20 8.325 8.325 7.862 0.463 18269
3887 1 9 . 1 1 21 21 PHE N N 21 121.774 121.774 121.378 0.396 18269
3888 1 9 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.054 0.227 18269
3889 1 9 . 1 1 21 21 PHE CA C 21 59.011 59.011 59.645 -0.634 18269
3890 1 9 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.035 -0.024 18269
3891 1 9 . 1 1 21 21 PHE H H 21 8.438 8.438 7.966 0.472 18269
3892 1 9 . 1 1 22 22 TYR N N 22 119.937 119.937 120.903 -0.966 18269
3893 1 9 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.691 0.098 18269
3894 1 9 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.997 -0.345 18269
3895 1 9 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.238 0.036 18269
3896 1 9 . 1 1 22 22 TYR H H 22 8.708 8.708 8.118 0.590 18269
3897 1 9 . 1 1 23 23 LYS N N 23 116.431 116.431 117.145 -0.714 18269
3898 1 9 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.784 0.075 18269
3899 1 9 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.719 0.424 18269
3900 1 9 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.470 0.747 18269
3901 1 9 . 1 1 23 23 LYS H H 23 7.928 7.928 8.426 -0.498 18269
3902 1 9 . 1 1 24 24 SER N N 24 113.888 113.888 116.399 -2.511 18269
3903 1 9 . 1 1 24 24 SER HA H 24 4.325 4.325 4.181 0.144 18269
3904 1 9 . 1 1 24 24 SER CA C 24 61.016 61.016 61.696 -0.680 18269
3905 1 9 . 1 1 24 24 SER CB C 24 62.837 62.837 62.913 -0.076 18269
3906 1 9 . 1 1 24 24 SER H H 24 7.665 7.665 7.605 0.060 18269
3907 1 9 . 1 1 25 25 LEU N N 25 119.663 119.663 122.647 -2.984 18269
3908 1 9 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.866 -0.187 18269
3909 1 9 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.186 -0.681 18269
3910 1 9 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.030 0.872 18269
3911 1 9 . 1 1 25 25 LEU H H 25 7.573 7.573 7.883 -0.310 18269
3912 1 9 . 1 1 26 26 ILE N N 26 119.781 119.781 118.708 1.073 18269
3913 1 9 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.570 0.286 18269
3914 1 9 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.710 -0.161 18269
3915 1 9 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.509 0.796 18269
3916 1 9 . 1 1 26 26 ILE H H 26 8.094 8.094 7.538 0.556 18269
3917 1 9 . 1 1 27 27 ASP N N 27 122.421 122.421 119.769 2.652 18269
3918 1 9 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.414 -0.038 18269
3919 1 9 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.394 0.626 18269
3920 1 9 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.166 -1.086 18269
3921 1 9 . 1 1 27 27 ASP H H 27 9.091 9.091 7.760 1.331 18269
3922 1 9 . 1 1 28 28 ARG N N 28 115.349 115.349 117.358 -2.009 18269
3923 1 9 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.307 -0.002 18269
3924 1 9 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.502 -0.004 18269
3925 1 9 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.808 0.805 18269
3926 1 9 . 1 1 28 28 ARG H H 28 7.587 7.587 8.213 -0.626 18269
3927 1 9 . 1 1 29 29 GLY N N 29 109.999 109.999 108.395 1.604 18269
3928 1 9 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.357 1.304 18269
3929 1 9 . 1 1 29 29 GLY H H 29 7.909 7.909 7.882 0.027 18269
3930 1 9 . 1 1 30 30 VAL N N 30 118.740 118.740 120.820 -2.080 18269
3931 1 9 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.404 -0.645 18269
3932 1 9 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.074 1.397 18269
3933 1 9 . 1 1 30 30 VAL CB C 30 32.326 32.326 30.600 1.726 18269
3934 1 9 . 1 1 30 30 VAL H H 30 7.701 7.701 8.066 -0.365 18269
3935 1 9 . 1 1 31 31 ASN N N 31 123.250 123.250 124.579 -1.329 18269
3936 1 9 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.850 -0.137 18269
3937 1 9 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.422 1.066 18269
3938 1 9 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.878 -0.667 18269
3939 1 9 . 1 1 31 31 ASN H H 31 8.498 8.498 8.046 0.452 18269
3940 1 9 . 1 1 32 32 PHE N N 32 126.076 126.076 114.447 11.629 18269
3941 1 9 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.360 -0.222 18269
3942 1 9 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.156 -0.509 18269
3943 1 9 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.500 -0.721 18269
3944 1 9 . 1 1 32 32 PHE H H 32 8.783 8.783 8.194 0.589 18269
3945 1 9 . 1 1 33 33 SER N N 33 115.958 115.958 114.523 1.435 18269
3946 1 9 . 1 1 33 33 SER HA H 33 4.736 4.736 4.649 0.087 18269
3947 1 9 . 1 1 33 33 SER CA C 33 56.745 56.745 57.653 -0.908 18269
3948 1 9 . 1 1 33 33 SER CB C 33 64.899 64.899 64.242 0.657 18269
3949 1 9 . 1 1 33 33 SER H H 33 7.699 7.699 7.563 0.136 18269
3950 1 9 . 1 1 34 34 LEU N N 34 124.359 124.359 126.649 -2.290 18269
3951 1 9 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.946 -0.093 18269
3952 1 9 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.637 1.034 18269
3953 1 9 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.862 -0.316 18269
3954 1 9 . 1 1 34 34 LEU H H 34 8.935 8.935 8.654 0.281 18269
3955 1 9 . 1 1 35 35 ASP N N 35 115.345 115.345 117.259 -1.914 18269
3956 1 9 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.367 0.011 18269
3957 1 9 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.202 -0.344 18269
3958 1 9 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.629 -0.469 18269
3959 1 9 . 1 1 35 35 ASP H H 35 8.575 8.575 8.525 0.050 18269
3960 1 9 . 1 1 36 36 THR N N 36 116.789 116.789 116.432 0.357 18269
3961 1 9 . 1 1 36 36 THR HA H 36 4.015 4.015 4.078 -0.063 18269
3962 1 9 . 1 1 36 36 THR CA C 36 66.069 66.069 66.098 -0.029 18269
3963 1 9 . 1 1 36 36 THR CB C 36 68.780 68.780 68.884 -0.104 18269
3964 1 9 . 1 1 36 36 THR H H 36 7.593 7.593 7.520 0.073 18269
3965 1 9 . 1 1 37 37 ILE N N 37 120.685 120.685 121.550 -0.865 18269
3966 1 9 . 1 1 37 37 ILE HA H 37 3.369 3.369 4.177 -0.808 18269
3967 1 9 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.161 2.639 18269
3968 1 9 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.108 0.984 18269
3969 1 9 . 1 1 37 37 ILE H H 37 8.436 8.436 8.586 -0.150 18269
3970 1 9 . 1 1 38 38 GLU N N 38 118.792 118.792 120.682 -1.890 18269
3971 1 9 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.871 -0.193 18269
3972 1 9 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.442 0.618 18269
3973 1 9 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.522 0.349 18269
3974 1 9 . 1 1 38 38 GLU H H 38 8.122 8.122 7.898 0.224 18269
3975 1 9 . 1 1 39 39 LYS N N 39 116.986 116.986 119.174 -2.188 18269
3976 1 9 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.112 -0.151 18269
3977 1 9 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.690 1.056 18269
3978 1 9 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.920 0.390 18269
3979 1 9 . 1 1 39 39 LYS H H 39 7.586 7.586 7.469 0.117 18269
3980 1 9 . 1 1 40 40 GLU N N 40 117.892 117.892 121.204 -3.312 18269
3981 1 9 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.159 0.046 18269
3982 1 9 . 1 1 40 40 GLU CA C 40 58.359 58.359 60.001 -1.642 18269
3983 1 9 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.804 -1.225 18269
3984 1 9 . 1 1 40 40 GLU H H 40 8.690 8.690 8.535 0.155 18269
3985 1 9 . 1 1 41 41 LEU N N 41 125.830 125.830 120.160 5.670 18269
3986 1 9 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.729 -0.182 18269
3987 1 9 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.749 0.079 18269
3988 1 9 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.088 -0.750 18269
3989 1 9 . 1 1 41 41 LEU H H 41 8.978 8.978 8.478 0.500 18269
3990 1 9 . 1 1 42 42 ILE N N 42 119.900 119.900 120.409 -0.509 18269
3991 1 9 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.962 -0.378 18269
3992 1 9 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.442 0.391 18269
3993 1 9 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.857 -0.067 18269
3994 1 9 . 1 1 42 42 ILE H H 42 7.884 7.884 7.950 -0.066 18269
3995 1 9 . 1 1 43 43 SER N N 43 114.071 114.071 116.620 -2.549 18269
3996 1 9 . 1 1 43 43 SER HA H 43 4.277 4.277 4.182 0.095 18269
3997 1 9 . 1 1 43 43 SER CA C 43 61.598 61.598 62.471 -0.873 18269
3998 1 9 . 1 1 43 43 SER CB C 43 62.767 62.767 63.048 -0.282 18269
3999 1 9 . 1 1 43 43 SER H H 43 7.791 7.791 8.595 -0.804 18269
4000 1 9 . 1 1 44 44 PHE N N 44 125.036 125.036 121.863 3.173 18269
4001 1 9 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.419 -0.090 18269
4002 1 9 . 1 1 44 44 PHE CA C 44 61.257 61.257 60.589 0.668 18269
4003 1 9 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.154 1.477 18269
4004 1 9 . 1 1 44 44 PHE H H 44 9.060 9.060 8.331 0.729 18269
4005 1 9 . 1 1 45 45 CYS N N 45 112.824 112.824 120.744 -7.920 18269
4006 1 9 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.413 0.193 18269
4007 1 9 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.999 -2.763 18269
4008 1 9 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.252 16.371 18269
4009 1 9 . 1 1 45 45 CYS H H 45 8.254 8.254 8.250 0.004 18269
4010 1 9 . 1 1 46 46 LEU N N 46 123.875 123.875 118.724 5.151 18269
4011 1 9 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.293 -0.118 18269
4012 1 9 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.894 1.257 18269
4013 1 9 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.160 1.092 18269
4014 1 9 . 1 1 46 46 LEU H H 46 7.776 7.776 7.883 -0.107 18269
4015 1 9 . 1 1 47 47 ASP N N 47 116.880 116.880 116.915 -0.035 18269
4016 1 9 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.478 0.432 18269
4017 1 9 . 1 1 47 47 ASP CA C 47 53.585 53.585 56.079 -2.494 18269
4018 1 9 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.729 -1.354 18269
4019 1 9 . 1 1 47 47 ASP H H 47 7.852 7.852 8.070 -0.218 18269
4020 1 9 . 1 1 48 48 THR N N 48 108.053 108.053 113.096 -5.043 18269
4021 1 9 . 1 1 48 48 THR HA H 48 4.461 4.461 3.991 0.470 18269
4022 1 9 . 1 1 48 48 THR CA C 48 60.844 60.844 62.056 -1.212 18269
4023 1 9 . 1 1 48 48 THR CB C 48 73.395 73.395 69.195 4.200 18269
4024 1 9 . 1 1 48 48 THR H H 48 7.139 7.139 7.295 -0.156 18269
4025 1 9 . 1 1 49 49 LYS N N 49 118.308 118.308 119.163 -0.855 18269
4026 1 9 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.575 0.143 18269
4027 1 9 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.641 -0.597 18269
4028 1 9 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.288 3.282 18269
4029 1 9 . 1 1 49 49 LYS H H 49 8.755 8.755 8.629 0.126 18269
4030 1 9 . 1 1 50 50 GLY N N 50 108.996 108.996 110.281 -1.285 18269
4031 1 9 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.956 -1.113 18269
4032 1 9 . 1 1 50 50 GLY H H 50 8.866 8.866 8.681 0.185 18269
4033 1 9 . 1 1 51 51 LYS N N 51 126.155 126.155 121.037 5.118 18269
4034 1 9 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.060 -0.090 18269
4035 1 9 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.238 -1.128 18269
4036 1 9 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.817 0.802 18269
4037 1 9 . 1 1 51 51 LYS H H 51 9.254 9.254 8.723 0.531 18269
4038 1 9 . 1 1 52 52 GLU N N 52 116.496 116.496 119.269 -2.773 18269
4039 1 9 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.165 -0.642 18269
4040 1 9 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.514 -0.124 18269
4041 1 9 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.809 -1.123 18269
4042 1 9 . 1 1 52 52 GLU H H 52 8.223 8.223 8.211 0.012 18269
4043 1 9 . 1 1 53 53 ASN N N 53 119.000 119.000 118.230 0.770 18269
4044 1 9 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.933 -0.549 18269
4045 1 9 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.459 1.519 18269
4046 1 9 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.660 0.786 18269
4047 1 9 . 1 1 53 53 ASN H H 53 6.840 6.840 8.782 -1.942 18269
4048 1 9 . 1 1 54 54 ARG N N 54 118.480 118.480 119.249 -0.769 18269
4049 1 9 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.518 -0.749 18269
4050 1 9 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.029 0.368 18269
4051 1 9 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.271 -1.531 18269
4052 1 9 . 1 1 54 54 ARG H H 54 7.456 7.456 7.852 -0.396 18269
4053 1 9 . 1 1 55 55 LEU N N 55 118.688 118.688 122.540 -3.852 18269
4054 1 9 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.340 -0.532 18269
4055 1 9 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.110 0.349 18269
4056 1 9 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.969 -1.849 18269
4057 1 9 . 1 1 55 55 LEU H H 55 7.843 7.843 8.100 -0.257 18269
4058 1 9 . 1 1 56 56 CYS N N 56 115.905 115.905 116.547 -0.642 18269
4059 1 9 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.920 -0.047 18269
4060 1 9 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.600 2.437 18269
4061 1 9 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.058 16.847 18269
4062 1 9 . 1 1 56 56 CYS H H 56 7.752 7.752 8.498 -0.746 18269
4063 1 9 . 1 1 57 57 TYR N N 57 121.810 121.810 120.438 1.372 18269
4064 1 9 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.047 0.096 18269
4065 1 9 . 1 1 57 57 TYR CA C 57 61.315 61.315 62.084 -0.769 18269
4066 1 9 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.630 -0.576 18269
4067 1 9 . 1 1 57 57 TYR H H 57 7.911 7.911 7.543 0.368 18269
4068 1 9 . 1 1 58 58 TYR N N 58 121.916 121.916 116.991 4.925 18269
4069 1 9 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.291 0.084 18269
4070 1 9 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.649 -1.640 18269
4071 1 9 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.737 -0.713 18269
4072 1 9 . 1 1 58 58 TYR H H 58 8.334 8.334 7.526 0.808 18269
4073 1 9 . 1 1 59 59 LEU N N 59 114.461 114.461 115.320 -0.859 18269
4074 1 9 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.043 0.077 18269
4075 1 9 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.616 -0.387 18269
4076 1 9 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.841 0.204 18269
4077 1 9 . 1 1 59 59 LEU H H 59 8.079 8.079 8.221 -0.142 18269
4078 1 9 . 1 1 60 60 GLY N N 60 102.559 102.559 104.542 -1.983 18269
4079 1 9 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.156 0.416 18269
4080 1 9 . 1 1 60 60 GLY H H 60 7.562 7.562 7.594 -0.032 18269
4081 1 9 . 1 1 61 61 ALA N N 61 120.327 120.327 120.596 -0.269 18269
4082 1 9 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.564 -0.163 18269
4083 1 9 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.203 0.062 18269
4084 1 9 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.313 0.024 18269
4085 1 9 . 1 1 61 61 ALA H H 61 7.995 7.995 8.388 -0.393 18269
4086 1 9 . 1 1 62 62 THR N N 62 106.895 106.895 111.565 -4.670 18269
4087 1 9 . 1 1 62 62 THR HA H 62 4.518 4.518 4.447 0.071 18269
4088 1 9 . 1 1 62 62 THR CA C 62 59.982 59.982 60.342 -0.360 18269
4089 1 9 . 1 1 62 62 THR CB C 62 70.540 70.540 71.084 -0.544 18269
4090 1 9 . 1 1 62 62 THR H H 62 7.156 7.156 7.508 -0.352 18269
4091 1 9 . 1 1 63 63 LYS N N 63 121.251 121.251 124.768 -3.517 18269
4092 1 9 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.214 -0.117 18269
4093 1 9 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.383 0.889 18269
4094 1 9 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.346 -0.191 18269
4095 1 9 . 1 1 63 63 LYS H H 63 8.626 8.626 8.638 -0.012 18269
4096 1 9 . 1 1 64 64 ASP N N 64 116.607 116.607 118.734 -2.127 18269
4097 1 9 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.692 -0.135 18269
4098 1 9 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.694 -0.792 18269
4099 1 9 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.418 -1.312 18269
4100 1 9 . 1 1 64 64 ASP H H 64 8.441 8.441 7.663 0.778 18269
4101 1 9 . 1 1 65 65 ALA N N 65 122.486 122.486 121.308 1.178 18269
4102 1 9 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.785 -0.700 18269
4103 1 9 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.691 1.858 18269
4104 1 9 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.396 -1.839 18269
4105 1 9 . 1 1 65 65 ALA H H 65 7.368 7.368 7.250 0.118 18269
4106 1 9 . 1 1 66 66 ALA N N 66 124.171 124.171 121.565 2.606 18269
4107 1 9 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.219 0.225 18269
4108 1 9 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.707 -0.236 18269
4109 1 9 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.544 0.721 18269
4110 1 9 . 1 1 66 66 ALA H H 66 8.300 8.300 8.667 -0.367 18269
4111 1 9 . 1 1 67 67 THR N N 67 111.638 111.638 120.156 -8.518 18269
4112 1 9 . 1 1 67 67 THR HA H 67 4.496 4.496 4.177 0.319 18269
4113 1 9 . 1 1 67 67 THR CA C 67 60.881 60.881 64.618 -3.737 18269
4114 1 9 . 1 1 67 67 THR CB C 67 70.199 70.199 69.081 1.118 18269
4115 1 9 . 1 1 67 67 THR H H 67 7.730 7.730 8.465 -0.735 18269
4116 1 9 . 1 1 68 68 LYS N N 68 121.732 121.732 122.533 -0.801 18269
4117 1 9 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.106 0.430 18269
4118 1 9 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.528 -2.966 18269
4119 1 9 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.233 0.866 18269
4120 1 9 . 1 1 68 68 LYS H H 68 8.502 8.502 8.139 0.363 18269
4121 1 9 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.899 0.440 18269
4122 1 9 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.076 -1.370 18269
4123 1 9 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.730 0.070 18269
4124 1 9 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.194 -0.063 18269
4125 1 9 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.968 0.648 18269
4126 1 9 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.818 -0.080 18269
4127 1 9 . 1 1 71 71 SER HA H 71 4.817 4.817 4.261 0.556 18269
4128 1 9 . 1 1 71 71 SER CA C 71 60.667 60.667 61.515 -0.848 18269
4129 1 9 . 1 1 71 71 SER CB C 71 62.646 62.646 62.796 -0.150 18269
4130 1 9 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.150 0.114 18269
4131 1 9 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.000 -2.371 18269
4132 1 9 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.601 -1.353 18269
4133 1 9 . 1 1 73 73 VAL N N 73 114.786 114.786 118.984 -4.198 18269
4134 1 9 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.794 0.308 18269
4135 1 9 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.199 -2.458 18269
4136 1 9 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.710 2.555 18269
4137 1 9 . 1 1 73 73 VAL H H 73 7.812 7.812 8.564 -0.752 18269
4138 1 9 . 1 1 74 74 THR HA H 74 3.767 3.767 3.945 -0.178 18269
4139 1 9 . 1 1 74 74 THR CA C 74 65.584 65.584 65.794 -0.210 18269
4140 1 9 . 1 1 74 74 THR CB C 74 67.470 67.470 68.564 -1.094 18269
4141 1 9 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.246 0.000 18269
4142 1 9 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.623 1.760 18269
4143 1 9 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.943 0.677 18269
4144 1 9 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.475 0.010 18269
4145 1 9 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.641 1.056 18269
4146 1 9 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.941 -1.046 18269
4147 1 9 . 1 1 77 77 MET N N 77 117.583 117.583 118.476 -0.893 18269
4148 1 9 . 1 1 77 77 MET HA H 77 4.684 4.684 4.343 0.341 18269
4149 1 9 . 1 1 77 77 MET CA C 77 59.347 59.347 56.857 2.490 18269
4150 1 9 . 1 1 77 77 MET CB C 77 32.996 32.996 32.130 0.866 18269
4151 1 9 . 1 1 77 77 MET H H 77 7.685 7.685 8.461 -0.776 18269
4152 1 9 . 1 1 78 78 SER N N 78 114.578 114.578 114.150 0.428 18269
4153 1 9 . 1 1 78 78 SER HA H 78 4.226 4.226 4.198 0.028 18269
4154 1 9 . 1 1 78 78 SER CA C 78 61.922 61.922 60.130 1.792 18269
4155 1 9 . 1 1 78 78 SER CB C 78 62.406 62.406 63.545 -1.139 18269
4156 1 9 . 1 1 78 78 SER H H 78 8.285 8.285 7.656 0.629 18269
4157 1 9 . 1 1 79 79 VAL N N 79 111.248 111.248 118.553 -7.305 18269
4158 1 9 . 1 1 79 79 VAL HA H 79 4.751 4.751 3.799 0.952 18269
4159 1 9 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.256 0.870 18269
4160 1 9 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.162 -3.816 18269
4161 1 9 . 1 1 79 79 VAL H H 79 7.004 7.004 7.569 -0.565 18269
4162 1 9 . 1 1 80 80 HIS N N 80 116.703 116.703 120.253 -3.550 18269
4163 1 9 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.415 -0.299 18269
4164 1 9 . 1 1 80 80 HIS CA C 80 56.826 56.826 60.312 -3.486 18269
4165 1 9 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.182 -4.293 18269
4166 1 9 . 1 1 80 80 HIS H H 80 8.289 8.289 8.550 -0.261 18269
4167 1 9 . 1 1 81 81 MET N N 81 120.978 120.978 116.618 4.360 18269
4168 1 9 . 1 1 81 81 MET HA H 81 4.512 4.512 4.356 0.156 18269
4169 1 9 . 1 1 81 81 MET CA C 81 55.007 55.007 55.405 -0.398 18269
4170 1 9 . 1 1 81 81 MET CB C 81 33.265 33.265 32.208 1.057 18269
4171 1 9 . 1 1 81 81 MET H H 81 8.006 8.006 8.129 -0.123 18269
4172 1 9 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.190 0.151 18269
4173 1 9 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.619 -1.383 18269
4174 1 9 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.855 1.808 18269
4175 1 9 . 1 1 83 83 ALA N N 83 126.545 126.545 120.826 5.719 18269
4176 1 9 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.801 0.145 18269
4177 1 9 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.209 0.763 18269
4178 1 9 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.173 1.302 18269
4179 1 9 . 1 1 83 83 ALA H H 83 9.196 9.196 7.896 1.300 18269
4180 1 9 . 1 1 84 84 MET N N 84 114.734 114.734 116.448 -1.714 18269
4181 1 9 . 1 1 84 84 MET HA H 84 4.024 4.024 4.454 -0.430 18269
4182 1 9 . 1 1 84 84 MET CA C 84 58.812 58.812 57.438 1.374 18269
4183 1 9 . 1 1 84 84 MET CB C 84 32.242 32.242 31.164 1.078 18269
4184 1 9 . 1 1 84 84 MET H H 84 9.289 9.289 7.741 1.548 18269
4185 1 9 . 1 1 85 85 LYS N N 85 116.490 116.490 120.110 -3.620 18269
4186 1 9 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.082 0.092 18269
4187 1 9 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.993 -0.877 18269
4188 1 9 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.780 0.012 18269
4189 1 9 . 1 1 85 85 LYS H H 85 6.997 6.997 8.477 -1.480 18269
4190 1 9 . 1 1 86 86 ILE N N 86 120.561 120.561 119.674 0.887 18269
4191 1 9 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.731 -0.116 18269
4192 1 9 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.518 1.760 18269
4193 1 9 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.593 -0.073 18269
4194 1 9 . 1 1 86 86 ILE H H 86 7.875 7.875 7.463 0.412 18269
4195 1 9 . 1 1 87 87 CYS N N 87 117.323 117.323 119.794 -2.471 18269
4196 1 9 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.127 -0.051 18269
4197 1 9 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.566 -1.506 18269
4198 1 9 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.771 16.962 18269
4199 1 9 . 1 1 87 87 CYS H H 87 8.643 8.643 7.793 0.850 18269
4200 1 9 . 1 1 88 88 GLU N N 88 118.070 118.070 120.441 -2.371 18269
4201 1 9 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.998 -0.050 18269
4202 1 9 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.600 0.163 18269
4203 1 9 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.140 0.624 18269
4204 1 9 . 1 1 88 88 GLU H H 88 8.045 8.045 7.830 0.215 18269
4205 1 9 . 1 1 89 89 LYS N N 89 119.719 119.719 119.145 0.574 18269
4206 1 9 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.128 0.010 18269
4207 1 9 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.422 0.709 18269
4208 1 9 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.286 -0.583 18269
4209 1 9 . 1 1 89 89 LYS H H 89 7.530 7.530 8.097 -0.567 18269
4210 1 9 . 1 1 90 90 LEU N N 90 119.550 119.550 121.162 -1.612 18269
4211 1 9 . 1 1 90 90 LEU HA H 90 3.965 3.965 3.963 0.002 18269
4212 1 9 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.635 -0.292 18269
4213 1 9 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.698 -0.707 18269
4214 1 9 . 1 1 90 90 LEU H H 90 8.422 8.422 8.260 0.162 18269
4215 1 9 . 1 1 91 91 LYS N N 91 119.180 119.180 118.246 0.934 18269
4216 1 9 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.377 -0.515 18269
4217 1 9 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.707 -0.102 18269
4218 1 9 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.044 0.433 18269
4219 1 9 . 1 1 91 91 LYS H H 91 8.218 8.218 7.955 0.264 18269
4220 1 9 . 1 1 92 92 LYS N N 92 113.632 113.632 119.091 -5.459 18269
4221 1 9 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.119 -0.066 18269
4222 1 9 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.749 -1.191 18269
4223 1 9 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.277 -0.343 18269
4224 1 9 . 1 1 92 92 LYS H H 92 6.984 6.984 7.448 -0.464 18269
4225 1 9 . 1 1 93 93 LEU N N 93 119.104 119.104 118.570 0.534 18269
4226 1 9 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.310 -0.020 18269
4227 1 9 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.327 -0.223 18269
4228 1 9 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.285 -1.183 18269
4229 1 9 . 1 1 93 93 LEU H H 93 7.456 7.456 7.477 -0.021 18269
4230 1 9 . 1 1 94 94 ASP N N 94 116.790 116.790 117.718 -0.928 18269
4231 1 9 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.742 -0.186 18269
4232 1 9 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.306 1.060 18269
4233 1 9 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.211 -2.038 18269
4234 1 9 . 1 1 94 94 ASP H H 94 7.911 7.911 8.358 -0.447 18269
4235 1 9 . 1 1 95 95 SER N N 95 122.399 122.399 119.976 2.423 18269
4236 1 9 . 1 1 95 95 SER HA H 95 4.186 4.186 4.460 -0.274 18269
4237 1 9 . 1 1 95 95 SER CA C 95 61.472 61.472 60.932 0.540 18269
4238 1 9 . 1 1 95 95 SER CB C 95 62.568 62.568 63.515 -0.947 18269
4239 1 9 . 1 1 95 95 SER H H 95 8.894 8.894 8.824 0.070 18269
4240 1 9 . 1 1 96 96 GLN N N 96 120.800 120.800 121.310 -0.510 18269
4241 1 9 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.158 -0.296 18269
4242 1 9 . 1 1 96 96 GLN CA C 96 58.151 58.151 56.918 1.233 18269
4243 1 9 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.313 0.104 18269
4244 1 9 . 1 1 96 96 GLN H H 96 8.610 8.610 8.184 0.426 18269
4245 1 9 . 1 1 97 97 ILE N N 97 117.387 117.387 119.295 -1.908 18269
4246 1 9 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.414 -0.015 18269
4247 1 9 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.440 2.392 18269
4248 1 9 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.962 0.312 18269
4249 1 9 . 1 1 97 97 ILE H H 97 7.470 7.470 8.153 -0.683 18269
4250 1 9 . 1 1 98 98 CYS N N 98 113.485 113.485 116.647 -3.162 18269
4251 1 9 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.336 0.735 18269
4252 1 9 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.134 2.839 18269
4253 1 9 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.703 21.883 18269
4254 1 9 . 1 1 98 98 CYS H H 98 7.410 7.410 7.599 -0.189 18269
4255 1 9 . 1 1 99 99 GLU N N 99 119.123 119.123 119.653 -0.530 18269
4256 1 9 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.197 0.126 18269
4257 1 9 . 1 1 99 99 GLU CA C 99 56.726 56.726 58.304 -1.578 18269
4258 1 9 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.649 0.330 18269
4259 1 9 . 1 1 99 99 GLU H H 99 7.308 7.308 7.203 0.105 18269
4260 1 9 . 1 1 100 100 LEU N N 100 115.771 115.771 116.457 -0.686 18269
4261 1 9 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.750 0.547 18269
4262 1 9 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.877 -1.195 18269
4263 1 9 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.999 1.962 18269
4264 1 9 . 1 1 100 100 LEU H H 100 6.496 6.496 8.058 -1.562 18269
4265 1 9 . 1 1 101 101 LYS N N 101 125.672 125.672 116.552 9.120 18269
4266 1 9 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.843 0.751 18269
4267 1 9 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.762 -1.412 18269
4268 1 9 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.406 5.317 18269
4269 1 9 . 1 1 101 101 LYS H H 101 8.575 8.575 8.005 0.570 18269
4270 1 9 . 1 1 102 102 TYR N N 102 120.395 120.395 122.923 -2.528 18269
4271 1 9 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.176 0.206 18269
4272 1 9 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.514 -1.490 18269
4273 1 9 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.749 -0.421 18269
4274 1 9 . 1 1 102 102 TYR H H 102 8.756 8.756 8.840 -0.084 18269
4275 1 9 . 1 1 103 103 GLU N N 103 121.550 121.550 115.131 6.419 18269
4276 1 9 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.614 -0.222 18269
4277 1 9 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.238 0.089 18269
4278 1 9 . 1 1 103 103 GLU CB C 103 30.302 30.302 32.178 -1.877 18269
4279 1 9 . 1 1 103 103 GLU H H 103 8.835 8.835 8.385 0.450 18269
4280 1 9 . 1 1 104 104 LYS N N 104 122.957 122.957 119.461 3.496 18269
4281 1 9 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.532 -0.071 18269
4282 1 9 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.524 -0.250 18269
4283 1 9 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.752 -0.705 18269
4284 1 9 . 1 1 104 104 LYS H H 104 8.490 8.490 8.532 -0.042 18269
4285 1 10 . 1 1 2 2 GLU N N 2 121.590 121.590 120.013 1.577 18269
4286 1 10 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.077 0.217 18269
4287 1 10 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.449 -0.932 18269
4288 1 10 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.652 0.499 18269
4289 1 10 . 1 1 2 2 GLU H H 2 8.621 8.621 8.749 -0.128 18269
4290 1 10 . 1 1 3 3 ALA N N 3 125.815 125.815 128.969 -3.154 18269
4291 1 10 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.506 -0.140 18269
4292 1 10 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.925 0.732 18269
4293 1 10 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.128 -0.181 18269
4294 1 10 . 1 1 3 3 ALA H H 3 8.598 8.598 8.337 0.261 18269
4295 1 10 . 1 1 4 4 GLY N N 4 108.386 108.386 107.676 0.710 18269
4296 1 10 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.099 0.039 18269
4297 1 10 . 1 1 4 4 GLY H H 4 8.487 8.487 8.275 0.212 18269
4298 1 10 . 1 1 5 5 GLY N N 5 108.367 108.367 106.799 1.568 18269
4299 1 10 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.653 0.101 18269
4300 1 10 . 1 1 5 5 GLY H H 5 8.274 8.274 7.883 0.391 18269
4301 1 10 . 1 1 6 6 ARG N N 6 121.577 121.577 120.686 0.891 18269
4302 1 10 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.208 0.467 18269
4303 1 10 . 1 1 6 6 ARG CA C 6 53.881 53.881 54.800 -0.919 18269
4304 1 10 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.736 0.399 18269
4305 1 10 . 1 1 6 6 ARG H H 6 8.297 8.297 8.914 -0.617 18269
4306 1 10 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.679 -0.188 18269
4307 1 10 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.888 1.465 18269
4308 1 10 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.351 1.696 18269
4309 1 10 . 1 1 8 8 GLY N N 8 109.658 109.658 106.936 2.722 18269
4310 1 10 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.654 -0.566 18269
4311 1 10 . 1 1 8 8 GLY H H 8 8.660 8.660 8.080 0.580 18269
4312 1 10 . 1 1 9 9 ALA N N 9 123.995 123.995 120.999 2.996 18269
4313 1 10 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.508 -0.068 18269
4314 1 10 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.344 -0.547 18269
4315 1 10 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.065 0.214 18269
4316 1 10 . 1 1 9 9 ALA H H 9 8.200 8.200 7.422 0.778 18269
4317 1 10 . 1 1 10 10 ASP N N 10 119.834 119.834 120.058 -0.224 18269
4318 1 10 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.720 -0.063 18269
4319 1 10 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.578 -0.037 18269
4320 1 10 . 1 1 10 10 ASP CB C 10 41.506 41.506 43.078 -1.572 18269
4321 1 10 . 1 1 10 10 ASP H H 10 8.290 8.290 8.470 -0.180 18269
4322 1 10 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.534 0.096 18269
4323 1 10 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.563 -4.805 18269
4324 1 10 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.168 13.292 18269
4325 1 10 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.979 -0.015 18269
4326 1 10 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.323 1.054 18269
4327 1 10 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.353 1.902 18269
4328 1 10 . 1 1 13 13 VAL N N 13 117.224 117.224 118.859 -1.635 18269
4329 1 10 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.701 0.045 18269
4330 1 10 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.300 -1.254 18269
4331 1 10 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.486 -0.268 18269
4332 1 10 . 1 1 13 13 VAL H H 13 7.040 7.040 7.786 -0.746 18269
4333 1 10 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.174 -0.089 18269
4334 1 10 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.876 -0.430 18269
4335 1 10 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.509 15.710 18269
4336 1 10 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.018 0.041 18269
4337 1 10 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.064 -2.493 18269
4338 1 10 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.142 0.108 18269
4339 1 10 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.128 0.203 18269
4340 1 10 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.665 -0.491 18269
4341 1 10 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.468 -0.062 18269
4342 1 10 . 1 1 16 16 GLU H H 16 8.098 8.098 8.636 -0.538 18269
4343 1 10 . 1 1 17 17 PHE N N 17 120.745 120.745 121.138 -0.393 18269
4344 1 10 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.319 -0.004 18269
4345 1 10 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.908 0.606 18269
4346 1 10 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.155 1.358 18269
4347 1 10 . 1 1 17 17 PHE H H 17 9.126 9.126 8.156 0.970 18269
4348 1 10 . 1 1 18 18 LEU N N 18 115.787 115.787 118.960 -3.173 18269
4349 1 10 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.700 0.443 18269
4350 1 10 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.158 -0.281 18269
4351 1 10 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.426 -0.474 18269
4352 1 10 . 1 1 18 18 LEU H H 18 8.505 8.505 8.374 0.131 18269
4353 1 10 . 1 1 19 19 ASN N N 19 117.635 117.635 117.494 0.141 18269
4354 1 10 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.367 0.509 18269
4355 1 10 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.850 -0.376 18269
4356 1 10 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.917 -0.589 18269
4357 1 10 . 1 1 19 19 ASN H H 19 8.405 8.405 8.334 0.071 18269
4358 1 10 . 1 1 20 20 ARG N N 20 122.851 122.851 118.754 4.097 18269
4359 1 10 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.092 0.025 18269
4360 1 10 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.459 0.830 18269
4361 1 10 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.113 0.342 18269
4362 1 10 . 1 1 20 20 ARG H H 20 8.325 8.325 8.264 0.061 18269
4363 1 10 . 1 1 21 21 PHE N N 21 121.774 121.774 121.962 -0.188 18269
4364 1 10 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.278 0.002 18269
4365 1 10 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.027 -2.016 18269
4366 1 10 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.201 -0.190 18269
4367 1 10 . 1 1 21 21 PHE H H 21 8.438 8.438 8.497 -0.059 18269
4368 1 10 . 1 1 22 22 TYR N N 22 119.937 119.937 121.205 -1.268 18269
4369 1 10 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.759 0.030 18269
4370 1 10 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.881 -0.229 18269
4371 1 10 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.317 -0.043 18269
4372 1 10 . 1 1 22 22 TYR H H 22 8.708 8.708 8.375 0.333 18269
4373 1 10 . 1 1 23 23 LYS N N 23 116.431 116.431 117.435 -1.004 18269
4374 1 10 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.701 0.158 18269
4375 1 10 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.563 0.580 18269
4376 1 10 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.298 0.919 18269
4377 1 10 . 1 1 23 23 LYS H H 23 7.928 7.928 8.385 -0.457 18269
4378 1 10 . 1 1 24 24 SER N N 24 113.888 113.888 117.921 -4.033 18269
4379 1 10 . 1 1 24 24 SER HA H 24 4.325 4.325 4.128 0.197 18269
4380 1 10 . 1 1 24 24 SER CA C 24 61.016 61.016 62.623 -1.607 18269
4381 1 10 . 1 1 24 24 SER CB C 24 62.837 62.837 62.713 0.124 18269
4382 1 10 . 1 1 24 24 SER H H 24 7.665 7.665 7.724 -0.059 18269
4383 1 10 . 1 1 25 25 LEU N N 25 119.663 119.663 121.984 -2.321 18269
4384 1 10 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.789 -0.110 18269
4385 1 10 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.179 -0.674 18269
4386 1 10 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.900 1.002 18269
4387 1 10 . 1 1 25 25 LEU H H 25 7.573 7.573 7.840 -0.267 18269
4388 1 10 . 1 1 26 26 ILE N N 26 119.781 119.781 119.489 0.292 18269
4389 1 10 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.538 0.318 18269
4390 1 10 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.726 -0.177 18269
4391 1 10 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.537 0.768 18269
4392 1 10 . 1 1 26 26 ILE H H 26 8.094 8.094 7.433 0.661 18269
4393 1 10 . 1 1 27 27 ASP N N 27 122.421 122.421 119.875 2.546 18269
4394 1 10 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.403 -0.027 18269
4395 1 10 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.327 0.693 18269
4396 1 10 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.123 -1.043 18269
4397 1 10 . 1 1 27 27 ASP H H 27 9.091 9.091 7.909 1.182 18269
4398 1 10 . 1 1 28 28 ARG N N 28 115.349 115.349 117.598 -2.249 18269
4399 1 10 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.326 -0.021 18269
4400 1 10 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.511 -0.013 18269
4401 1 10 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.612 1.001 18269
4402 1 10 . 1 1 28 28 ARG H H 28 7.587 7.587 8.391 -0.804 18269
4403 1 10 . 1 1 29 29 GLY N N 29 109.999 109.999 108.148 1.851 18269
4404 1 10 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.492 1.169 18269
4405 1 10 . 1 1 29 29 GLY H H 29 7.909 7.909 7.472 0.437 18269
4406 1 10 . 1 1 30 30 VAL N N 30 118.740 118.740 116.525 2.215 18269
4407 1 10 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.448 -0.689 18269
4408 1 10 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.516 1.954 18269
4409 1 10 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.387 -0.061 18269
4410 1 10 . 1 1 30 30 VAL H H 30 7.701 7.701 7.944 -0.243 18269
4411 1 10 . 1 1 31 31 ASN N N 31 123.250 123.250 118.603 4.647 18269
4412 1 10 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.670 0.043 18269
4413 1 10 . 1 1 31 31 ASN CA C 31 53.488 53.488 51.998 1.490 18269
4414 1 10 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.866 -0.655 18269
4415 1 10 . 1 1 31 31 ASN H H 31 8.498 8.498 7.674 0.824 18269
4416 1 10 . 1 1 32 32 PHE N N 32 126.076 126.076 114.058 12.018 18269
4417 1 10 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.164 -0.026 18269
4418 1 10 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.504 -0.857 18269
4419 1 10 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.490 -0.711 18269
4420 1 10 . 1 1 32 32 PHE H H 32 8.783 8.783 8.437 0.346 18269
4421 1 10 . 1 1 33 33 SER N N 33 115.958 115.958 114.089 1.869 18269
4422 1 10 . 1 1 33 33 SER HA H 33 4.736 4.736 4.707 0.029 18269
4423 1 10 . 1 1 33 33 SER CA C 33 56.745 56.745 57.369 -0.624 18269
4424 1 10 . 1 1 33 33 SER CB C 33 64.899 64.899 64.863 0.036 18269
4425 1 10 . 1 1 33 33 SER H H 33 7.699 7.699 7.724 -0.025 18269
4426 1 10 . 1 1 34 34 LEU N N 34 124.359 124.359 127.612 -3.253 18269
4427 1 10 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.108 -0.255 18269
4428 1 10 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.147 1.524 18269
4429 1 10 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.608 -0.062 18269
4430 1 10 . 1 1 34 34 LEU H H 34 8.935 8.935 8.850 0.085 18269
4431 1 10 . 1 1 35 35 ASP N N 35 115.345 115.345 116.972 -1.627 18269
4432 1 10 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.491 -0.113 18269
4433 1 10 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.736 -0.878 18269
4434 1 10 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.437 -0.277 18269
4435 1 10 . 1 1 35 35 ASP H H 35 8.575 8.575 8.611 -0.036 18269
4436 1 10 . 1 1 36 36 THR N N 36 116.789 116.789 117.250 -0.461 18269
4437 1 10 . 1 1 36 36 THR HA H 36 4.015 4.015 4.121 -0.106 18269
4438 1 10 . 1 1 36 36 THR CA C 36 66.069 66.069 66.791 -0.722 18269
4439 1 10 . 1 1 36 36 THR CB C 36 68.780 68.780 68.968 -0.188 18269
4440 1 10 . 1 1 36 36 THR H H 36 7.593 7.593 7.197 0.396 18269
4441 1 10 . 1 1 37 37 ILE N N 37 120.685 120.685 121.911 -1.226 18269
4442 1 10 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.798 -0.429 18269
4443 1 10 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.953 -0.153 18269
4444 1 10 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.707 -0.616 18269
4445 1 10 . 1 1 37 37 ILE H H 37 8.436 8.436 8.613 -0.177 18269
4446 1 10 . 1 1 38 38 GLU N N 38 118.792 118.792 119.148 -0.356 18269
4447 1 10 . 1 1 38 38 GLU HA H 38 3.678 3.678 4.069 -0.391 18269
4448 1 10 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.147 1.913 18269
4449 1 10 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.536 0.335 18269
4450 1 10 . 1 1 38 38 GLU H H 38 8.122 8.122 8.175 -0.053 18269
4451 1 10 . 1 1 39 39 LYS N N 39 116.986 116.986 119.734 -2.748 18269
4452 1 10 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.263 -0.302 18269
4453 1 10 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.519 1.228 18269
4454 1 10 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.433 -0.123 18269
4455 1 10 . 1 1 39 39 LYS H H 39 7.586 7.586 7.525 0.061 18269
4456 1 10 . 1 1 40 40 GLU N N 40 117.892 117.892 120.476 -2.584 18269
4457 1 10 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.249 -0.044 18269
4458 1 10 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.061 -0.702 18269
4459 1 10 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.477 -0.898 18269
4460 1 10 . 1 1 40 40 GLU H H 40 8.690 8.690 8.536 0.154 18269
4461 1 10 . 1 1 41 41 LEU N N 41 125.830 125.830 120.347 5.483 18269
4462 1 10 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.818 -0.271 18269
4463 1 10 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.269 -0.441 18269
4464 1 10 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.737 -1.399 18269
4465 1 10 . 1 1 41 41 LEU H H 41 8.978 8.978 8.397 0.581 18269
4466 1 10 . 1 1 42 42 ILE N N 42 119.900 119.900 117.929 1.971 18269
4467 1 10 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.944 -0.360 18269
4468 1 10 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.549 1.283 18269
4469 1 10 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.957 -0.167 18269
4470 1 10 . 1 1 42 42 ILE H H 42 7.884 7.884 7.291 0.593 18269
4471 1 10 . 1 1 43 43 SER N N 43 114.071 114.071 115.974 -1.903 18269
4472 1 10 . 1 1 43 43 SER HA H 43 4.277 4.277 4.272 0.005 18269
4473 1 10 . 1 1 43 43 SER CA C 43 61.598 61.598 61.933 -0.335 18269
4474 1 10 . 1 1 43 43 SER CB C 43 62.767 62.767 63.585 -0.818 18269
4475 1 10 . 1 1 43 43 SER H H 43 7.791 7.791 8.159 -0.368 18269
4476 1 10 . 1 1 44 44 PHE N N 44 125.036 125.036 122.846 2.190 18269
4477 1 10 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.329 0.000 18269
4478 1 10 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.877 -0.620 18269
4479 1 10 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.522 1.109 18269
4480 1 10 . 1 1 44 44 PHE H H 44 9.060 9.060 8.915 0.145 18269
4481 1 10 . 1 1 45 45 CYS N N 45 112.824 112.824 117.357 -4.533 18269
4482 1 10 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.462 0.144 18269
4483 1 10 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.261 -3.025 18269
4484 1 10 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.133 16.490 18269
4485 1 10 . 1 1 45 45 CYS H H 45 8.254 8.254 8.189 0.065 18269
4486 1 10 . 1 1 46 46 LEU N N 46 123.875 123.875 119.177 4.698 18269
4487 1 10 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.330 -0.155 18269
4488 1 10 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.357 1.794 18269
4489 1 10 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.250 1.002 18269
4490 1 10 . 1 1 46 46 LEU H H 46 7.776 7.776 7.696 0.080 18269
4491 1 10 . 1 1 47 47 ASP N N 47 116.880 116.880 117.441 -0.561 18269
4492 1 10 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.529 0.381 18269
4493 1 10 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.645 -2.060 18269
4494 1 10 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.670 -1.295 18269
4495 1 10 . 1 1 47 47 ASP H H 47 7.852 7.852 7.694 0.158 18269
4496 1 10 . 1 1 48 48 THR N N 48 108.053 108.053 114.513 -6.460 18269
4497 1 10 . 1 1 48 48 THR HA H 48 4.461 4.461 4.217 0.244 18269
4498 1 10 . 1 1 48 48 THR CA C 48 60.844 60.844 61.935 -1.091 18269
4499 1 10 . 1 1 48 48 THR CB C 48 73.395 73.395 69.953 3.442 18269
4500 1 10 . 1 1 48 48 THR H H 48 7.139 7.139 7.613 -0.474 18269
4501 1 10 . 1 1 49 49 LYS N N 49 118.308 118.308 119.236 -0.928 18269
4502 1 10 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.540 0.178 18269
4503 1 10 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.550 -1.506 18269
4504 1 10 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.449 3.121 18269
4505 1 10 . 1 1 49 49 LYS H H 49 8.755 8.755 9.234 -0.479 18269
4506 1 10 . 1 1 50 50 GLY N N 50 108.996 108.996 110.440 -1.444 18269
4507 1 10 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.665 -0.822 18269
4508 1 10 . 1 1 50 50 GLY H H 50 8.866 8.866 8.652 0.214 18269
4509 1 10 . 1 1 51 51 LYS N N 51 126.155 126.155 122.198 3.957 18269
4510 1 10 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.127 -0.157 18269
4511 1 10 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.145 -1.035 18269
4512 1 10 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.297 0.322 18269
4513 1 10 . 1 1 51 51 LYS H H 51 9.254 9.254 8.740 0.514 18269
4514 1 10 . 1 1 52 52 GLU N N 52 116.496 116.496 118.946 -2.450 18269
4515 1 10 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.135 -0.612 18269
4516 1 10 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.145 0.245 18269
4517 1 10 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.619 -0.933 18269
4518 1 10 . 1 1 52 52 GLU H H 52 8.223 8.223 8.120 0.103 18269
4519 1 10 . 1 1 53 53 ASN N N 53 119.000 119.000 119.840 -0.840 18269
4520 1 10 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.785 -0.401 18269
4521 1 10 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.870 1.108 18269
4522 1 10 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.665 0.781 18269
4523 1 10 . 1 1 53 53 ASN H H 53 6.840 6.840 8.760 -1.920 18269
4524 1 10 . 1 1 54 54 ARG N N 54 118.480 118.480 119.680 -1.200 18269
4525 1 10 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.331 -0.562 18269
4526 1 10 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.992 -0.595 18269
4527 1 10 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.023 -1.283 18269
4528 1 10 . 1 1 54 54 ARG H H 54 7.456 7.456 8.334 -0.878 18269
4529 1 10 . 1 1 55 55 LEU N N 55 118.688 118.688 121.929 -3.241 18269
4530 1 10 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.068 -0.260 18269
4531 1 10 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.464 -0.005 18269
4532 1 10 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.812 -1.692 18269
4533 1 10 . 1 1 55 55 LEU H H 55 7.843 7.843 8.236 -0.393 18269
4534 1 10 . 1 1 56 56 CYS N N 56 115.905 115.905 116.194 -0.289 18269
4535 1 10 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.992 -0.119 18269
4536 1 10 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.640 1.397 18269
4537 1 10 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.648 17.257 18269
4538 1 10 . 1 1 56 56 CYS H H 56 7.752 7.752 7.816 -0.064 18269
4539 1 10 . 1 1 57 57 TYR N N 57 121.810 121.810 118.980 2.830 18269
4540 1 10 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.166 -0.023 18269
4541 1 10 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.373 -0.058 18269
4542 1 10 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.730 -0.676 18269
4543 1 10 . 1 1 57 57 TYR H H 57 7.911 7.911 8.089 -0.178 18269
4544 1 10 . 1 1 58 58 TYR N N 58 121.916 121.916 117.035 4.881 18269
4545 1 10 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.267 0.108 18269
4546 1 10 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.725 -1.716 18269
4547 1 10 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.743 -0.719 18269
4548 1 10 . 1 1 58 58 TYR H H 58 8.334 8.334 7.620 0.714 18269
4549 1 10 . 1 1 59 59 LEU N N 59 114.461 114.461 115.767 -1.306 18269
4550 1 10 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.967 0.153 18269
4551 1 10 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.325 -1.096 18269
4552 1 10 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.961 0.084 18269
4553 1 10 . 1 1 59 59 LEU H H 59 8.079 8.079 8.135 -0.056 18269
4554 1 10 . 1 1 60 60 GLY N N 60 102.559 102.559 103.250 -0.691 18269
4555 1 10 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.104 0.468 18269
4556 1 10 . 1 1 60 60 GLY H H 60 7.562 7.562 7.913 -0.351 18269
4557 1 10 . 1 1 61 61 ALA N N 61 120.327 120.327 124.711 -4.384 18269
4558 1 10 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.429 -0.028 18269
4559 1 10 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.143 0.122 18269
4560 1 10 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.002 2.335 18269
4561 1 10 . 1 1 61 61 ALA H H 61 7.995 7.995 7.589 0.406 18269
4562 1 10 . 1 1 62 62 THR N N 62 106.895 106.895 113.713 -6.818 18269
4563 1 10 . 1 1 62 62 THR HA H 62 4.518 4.518 4.325 0.193 18269
4564 1 10 . 1 1 62 62 THR CA C 62 59.982 59.982 61.304 -1.322 18269
4565 1 10 . 1 1 62 62 THR CB C 62 70.540 70.540 71.140 -0.600 18269
4566 1 10 . 1 1 62 62 THR H H 62 7.156 7.156 7.624 -0.468 18269
4567 1 10 . 1 1 63 63 LYS N N 63 121.251 121.251 125.596 -4.345 18269
4568 1 10 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.320 -0.223 18269
4569 1 10 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.972 1.300 18269
4570 1 10 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.160 -0.005 18269
4571 1 10 . 1 1 63 63 LYS H H 63 8.626 8.626 8.560 0.066 18269
4572 1 10 . 1 1 64 64 ASP N N 64 116.607 116.607 118.894 -2.287 18269
4573 1 10 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.789 -0.232 18269
4574 1 10 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.659 0.243 18269
4575 1 10 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.336 -1.230 18269
4576 1 10 . 1 1 64 64 ASP H H 64 8.441 8.441 7.577 0.864 18269
4577 1 10 . 1 1 65 65 ALA N N 65 122.486 122.486 120.350 2.136 18269
4578 1 10 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.674 -0.589 18269
4579 1 10 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.644 1.905 18269
4580 1 10 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.400 -1.843 18269
4581 1 10 . 1 1 65 65 ALA H H 65 7.368 7.368 7.314 0.054 18269
4582 1 10 . 1 1 66 66 ALA N N 66 124.171 124.171 121.738 2.433 18269
4583 1 10 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.421 0.023 18269
4584 1 10 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.016 0.455 18269
4585 1 10 . 1 1 66 66 ALA CB C 66 19.265 19.265 17.613 1.652 18269
4586 1 10 . 1 1 66 66 ALA H H 66 8.300 8.300 8.629 -0.329 18269
4587 1 10 . 1 1 67 67 THR N N 67 111.638 111.638 117.169 -5.531 18269
4588 1 10 . 1 1 67 67 THR HA H 67 4.496 4.496 4.237 0.259 18269
4589 1 10 . 1 1 67 67 THR CA C 67 60.881 60.881 64.301 -3.420 18269
4590 1 10 . 1 1 67 67 THR CB C 67 70.199 70.199 68.968 1.231 18269
4591 1 10 . 1 1 67 67 THR H H 67 7.730 7.730 8.076 -0.346 18269
4592 1 10 . 1 1 68 68 LYS N N 68 121.732 121.732 120.769 0.963 18269
4593 1 10 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.077 0.459 18269
4594 1 10 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.696 -2.134 18269
4595 1 10 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.499 1.600 18269
4596 1 10 . 1 1 68 68 LYS H H 68 8.502 8.502 8.379 0.123 18269
4597 1 10 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.186 0.153 18269
4598 1 10 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.635 -0.929 18269
4599 1 10 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.042 -0.242 18269
4600 1 10 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.248 -0.117 18269
4601 1 10 . 1 1 70 70 LEU CA C 70 58.616 58.616 56.437 2.179 18269
4602 1 10 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.874 -0.136 18269
4603 1 10 . 1 1 71 71 SER HA H 71 4.817 4.817 4.215 0.602 18269
4604 1 10 . 1 1 71 71 SER CA C 71 60.667 60.667 61.251 -0.584 18269
4605 1 10 . 1 1 71 71 SER CB C 71 62.646 62.646 62.815 -0.169 18269
4606 1 10 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.121 0.143 18269
4607 1 10 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.669 -2.040 18269
4608 1 10 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.371 -1.124 18269
4609 1 10 . 1 1 73 73 VAL N N 73 114.786 114.786 117.003 -2.217 18269
4610 1 10 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.028 0.074 18269
4611 1 10 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.233 -1.492 18269
4612 1 10 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.750 0.515 18269
4613 1 10 . 1 1 73 73 VAL H H 73 7.812 7.812 7.448 0.364 18269
4614 1 10 . 1 1 74 74 THR HA H 74 3.767 3.767 3.915 -0.148 18269
4615 1 10 . 1 1 74 74 THR CA C 74 65.584 65.584 66.282 -0.699 18269
4616 1 10 . 1 1 74 74 THR CB C 74 67.470 67.470 68.759 -1.289 18269
4617 1 10 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.290 -0.044 18269
4618 1 10 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.961 1.422 18269
4619 1 10 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.904 0.716 18269
4620 1 10 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.357 0.128 18269
4621 1 10 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.463 0.233 18269
4622 1 10 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.598 -0.703 18269
4623 1 10 . 1 1 77 77 MET N N 77 117.583 117.583 113.860 3.723 18269
4624 1 10 . 1 1 77 77 MET HA H 77 4.684 4.684 4.465 0.218 18269
4625 1 10 . 1 1 77 77 MET CA C 77 59.347 59.347 55.886 3.461 18269
4626 1 10 . 1 1 77 77 MET CB C 77 32.996 32.996 31.406 1.590 18269
4627 1 10 . 1 1 77 77 MET H H 77 7.685 7.685 8.235 -0.550 18269
4628 1 10 . 1 1 78 78 SER N N 78 114.578 114.578 113.493 1.085 18269
4629 1 10 . 1 1 78 78 SER HA H 78 4.226 4.226 4.275 -0.049 18269
4630 1 10 . 1 1 78 78 SER CA C 78 61.922 61.922 60.155 1.767 18269
4631 1 10 . 1 1 78 78 SER CB C 78 62.406 62.406 63.240 -0.834 18269
4632 1 10 . 1 1 78 78 SER H H 78 8.285 8.285 7.687 0.598 18269
4633 1 10 . 1 1 79 79 VAL N N 79 111.248 111.248 118.585 -7.337 18269
4634 1 10 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.077 0.674 18269
4635 1 10 . 1 1 79 79 VAL CA C 79 60.126 60.126 63.092 -2.966 18269
4636 1 10 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.242 -3.896 18269
4637 1 10 . 1 1 79 79 VAL H H 79 7.004 7.004 7.359 -0.355 18269
4638 1 10 . 1 1 80 80 HIS N N 80 116.703 116.703 116.139 0.564 18269
4639 1 10 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.761 -0.645 18269
4640 1 10 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.677 0.149 18269
4641 1 10 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.949 -5.060 18269
4642 1 10 . 1 1 80 80 HIS H H 80 8.289 8.289 7.769 0.520 18269
4643 1 10 . 1 1 81 81 MET N N 81 120.978 120.978 117.002 3.976 18269
4644 1 10 . 1 1 81 81 MET HA H 81 4.512 4.512 4.416 0.096 18269
4645 1 10 . 1 1 81 81 MET CA C 81 55.007 55.007 55.998 -0.991 18269
4646 1 10 . 1 1 81 81 MET CB C 81 33.265 33.265 32.290 0.975 18269
4647 1 10 . 1 1 81 81 MET H H 81 8.006 8.006 8.686 -0.680 18269
4648 1 10 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.161 0.180 18269
4649 1 10 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.771 -1.535 18269
4650 1 10 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.646 2.017 18269
4651 1 10 . 1 1 83 83 ALA N N 83 126.545 126.545 122.622 3.923 18269
4652 1 10 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.777 0.169 18269
4653 1 10 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.768 1.205 18269
4654 1 10 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.046 1.429 18269
4655 1 10 . 1 1 83 83 ALA H H 83 9.196 9.196 7.948 1.248 18269
4656 1 10 . 1 1 84 84 MET N N 84 114.734 114.734 116.465 -1.731 18269
4657 1 10 . 1 1 84 84 MET HA H 84 4.024 4.024 4.378 -0.354 18269
4658 1 10 . 1 1 84 84 MET CA C 84 58.812 58.812 57.462 1.350 18269
4659 1 10 . 1 1 84 84 MET CB C 84 32.242 32.242 31.458 0.784 18269
4660 1 10 . 1 1 84 84 MET H H 84 9.289 9.289 7.595 1.694 18269
4661 1 10 . 1 1 85 85 LYS N N 85 116.490 116.490 119.904 -3.414 18269
4662 1 10 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.296 -0.122 18269
4663 1 10 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.703 -0.587 18269
4664 1 10 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.337 -0.544 18269
4665 1 10 . 1 1 85 85 LYS H H 85 6.997 6.997 8.617 -1.620 18269
4666 1 10 . 1 1 86 86 ILE N N 86 120.561 120.561 118.652 1.909 18269
4667 1 10 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.747 -0.132 18269
4668 1 10 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.280 1.998 18269
4669 1 10 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.722 -0.202 18269
4670 1 10 . 1 1 86 86 ILE H H 86 7.875 7.875 7.217 0.658 18269
4671 1 10 . 1 1 87 87 CYS N N 87 117.323 117.323 118.982 -1.659 18269
4672 1 10 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.195 -0.119 18269
4673 1 10 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.649 -0.589 18269
4674 1 10 . 1 1 87 87 CYS CB C 87 42.733 42.733 26.347 16.386 18269
4675 1 10 . 1 1 87 87 CYS H H 87 8.643 8.643 7.872 0.771 18269
4676 1 10 . 1 1 88 88 GLU N N 88 118.070 118.070 121.128 -3.058 18269
4677 1 10 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.900 0.048 18269
4678 1 10 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.013 0.750 18269
4679 1 10 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.240 0.524 18269
4680 1 10 . 1 1 88 88 GLU H H 88 8.045 8.045 7.817 0.228 18269
4681 1 10 . 1 1 89 89 LYS N N 89 119.719 119.719 119.767 -0.048 18269
4682 1 10 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.071 0.067 18269
4683 1 10 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.737 0.393 18269
4684 1 10 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.224 -0.521 18269
4685 1 10 . 1 1 89 89 LYS H H 89 7.530 7.530 8.314 -0.784 18269
4686 1 10 . 1 1 90 90 LEU N N 90 119.550 119.550 119.110 0.440 18269
4687 1 10 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.018 -0.053 18269
4688 1 10 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.397 -0.054 18269
4689 1 10 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.739 -0.748 18269
4690 1 10 . 1 1 90 90 LEU H H 90 8.422 8.422 7.820 0.602 18269
4691 1 10 . 1 1 91 91 LYS N N 91 119.180 119.180 118.259 0.921 18269
4692 1 10 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.507 -0.645 18269
4693 1 10 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.434 0.171 18269
4694 1 10 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.133 0.344 18269
4695 1 10 . 1 1 91 91 LYS H H 91 8.218 8.218 7.693 0.525 18269
4696 1 10 . 1 1 92 92 LYS N N 92 113.632 113.632 117.954 -4.322 18269
4697 1 10 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.169 -0.116 18269
4698 1 10 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.746 -1.188 18269
4699 1 10 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.055 -0.121 18269
4700 1 10 . 1 1 92 92 LYS H H 92 6.984 6.984 7.364 -0.380 18269
4701 1 10 . 1 1 93 93 LEU N N 93 119.104 119.104 119.724 -0.620 18269
4702 1 10 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.353 -0.063 18269
4703 1 10 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.983 0.121 18269
4704 1 10 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.206 -1.104 18269
4705 1 10 . 1 1 93 93 LEU H H 93 7.456 7.456 7.672 -0.216 18269
4706 1 10 . 1 1 94 94 ASP N N 94 116.790 116.790 116.532 0.258 18269
4707 1 10 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.886 -0.330 18269
4708 1 10 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.059 1.307 18269
4709 1 10 . 1 1 94 94 ASP CB C 94 41.173 41.173 44.425 -3.252 18269
4710 1 10 . 1 1 94 94 ASP H H 94 7.911 7.911 8.043 -0.132 18269
4711 1 10 . 1 1 95 95 SER N N 95 122.399 122.399 119.517 2.882 18269
4712 1 10 . 1 1 95 95 SER HA H 95 4.186 4.186 4.393 -0.207 18269
4713 1 10 . 1 1 95 95 SER CA C 95 61.472 61.472 60.508 0.964 18269
4714 1 10 . 1 1 95 95 SER CB C 95 62.568 62.568 63.688 -1.120 18269
4715 1 10 . 1 1 95 95 SER H H 95 8.894 8.894 8.792 0.102 18269
4716 1 10 . 1 1 96 96 GLN N N 96 120.800 120.800 121.887 -1.087 18269
4717 1 10 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.220 -0.358 18269
4718 1 10 . 1 1 96 96 GLN CA C 96 58.151 58.151 56.971 1.180 18269
4719 1 10 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.599 -0.182 18269
4720 1 10 . 1 1 96 96 GLN H H 96 8.610 8.610 8.309 0.301 18269
4721 1 10 . 1 1 97 97 ILE N N 97 117.387 117.387 119.633 -2.246 18269
4722 1 10 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.564 -0.165 18269
4723 1 10 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.158 2.673 18269
4724 1 10 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.087 0.187 18269
4725 1 10 . 1 1 97 97 ILE H H 97 7.470 7.470 7.837 -0.367 18269
4726 1 10 . 1 1 98 98 CYS N N 98 113.485 113.485 113.914 -0.429 18269
4727 1 10 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.483 0.588 18269
4728 1 10 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.680 3.293 18269
4729 1 10 . 1 1 98 98 CYS CB C 98 48.586 48.586 28.079 20.507 18269
4730 1 10 . 1 1 98 98 CYS H H 98 7.410 7.410 7.629 -0.219 18269
4731 1 10 . 1 1 99 99 GLU N N 99 119.123 119.123 123.409 -4.286 18269
4732 1 10 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.074 0.249 18269
4733 1 10 . 1 1 99 99 GLU CA C 99 56.726 56.726 57.476 -0.750 18269
4734 1 10 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.410 0.569 18269
4735 1 10 . 1 1 99 99 GLU H H 99 7.308 7.308 7.323 -0.015 18269
4736 1 10 . 1 1 100 100 LEU N N 100 115.771 115.771 117.036 -1.265 18269
4737 1 10 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.825 0.472 18269
4738 1 10 . 1 1 100 100 LEU CA C 100 55.682 55.682 54.572 1.110 18269
4739 1 10 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.108 2.853 18269
4740 1 10 . 1 1 100 100 LEU H H 100 6.496 6.496 8.204 -1.708 18269
4741 1 10 . 1 1 101 101 LYS N N 101 125.672 125.672 116.668 9.004 18269
4742 1 10 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.868 0.726 18269
4743 1 10 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.600 -1.250 18269
4744 1 10 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.372 3.351 18269
4745 1 10 . 1 1 101 101 LYS H H 101 8.575 8.575 7.819 0.756 18269
4746 1 10 . 1 1 102 102 TYR N N 102 120.395 120.395 124.166 -3.771 18269
4747 1 10 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.260 0.122 18269
4748 1 10 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.236 -1.212 18269
4749 1 10 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.690 -0.362 18269
4750 1 10 . 1 1 102 102 TYR H H 102 8.756 8.756 8.384 0.372 18269
4751 1 10 . 1 1 103 103 GLU N N 103 121.550 121.550 118.893 2.657 18269
4752 1 10 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.537 -0.145 18269
4753 1 10 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.319 0.008 18269
4754 1 10 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.561 1.741 18269
4755 1 10 . 1 1 103 103 GLU H H 103 8.835 8.835 8.560 0.275 18269
4756 1 10 . 1 1 104 104 LYS N N 104 122.957 122.957 116.217 6.740 18269
4757 1 10 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.984 0.477 18269
4758 1 10 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.521 -1.247 18269
4759 1 10 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.651 1.396 18269
4760 1 10 . 1 1 104 104 LYS H H 104 8.490 8.490 8.639 -0.149 18269
4761 1 11 . 1 1 2 2 GLU N N 2 121.590 121.590 118.045 3.545 18269
4762 1 11 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.766 -0.472 18269
4763 1 11 . 1 1 2 2 GLU CA C 2 56.517 56.517 55.987 0.530 18269
4764 1 11 . 1 1 2 2 GLU CB C 2 30.151 30.151 31.467 -1.316 18269
4765 1 11 . 1 1 2 2 GLU H H 2 8.621 8.621 7.995 0.626 18269
4766 1 11 . 1 1 3 3 ALA N N 3 125.815 125.815 126.786 -0.971 18269
4767 1 11 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.463 -0.097 18269
4768 1 11 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.938 -0.281 18269
4769 1 11 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.001 -1.054 18269
4770 1 11 . 1 1 3 3 ALA H H 3 8.598 8.598 9.222 -0.624 18269
4771 1 11 . 1 1 4 4 GLY N N 4 108.386 108.386 108.115 0.271 18269
4772 1 11 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.826 -1.689 18269
4773 1 11 . 1 1 4 4 GLY H H 4 8.487 8.487 8.150 0.337 18269
4774 1 11 . 1 1 5 5 GLY N N 5 108.367 108.367 112.435 -4.068 18269
4775 1 11 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.970 -0.216 18269
4776 1 11 . 1 1 5 5 GLY H H 5 8.274 8.274 8.489 -0.215 18269
4777 1 11 . 1 1 6 6 ARG N N 6 121.577 121.577 121.346 0.231 18269
4778 1 11 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.567 0.108 18269
4779 1 11 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.317 0.564 18269
4780 1 11 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.863 -0.728 18269
4781 1 11 . 1 1 6 6 ARG H H 6 8.297 8.297 8.062 0.235 18269
4782 1 11 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.655 -0.164 18269
4783 1 11 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.219 1.134 18269
4784 1 11 . 1 1 7 7 PRO CB C 7 32.047 32.047 32.278 -0.231 18269
4785 1 11 . 1 1 8 8 GLY N N 8 109.658 109.658 109.393 0.265 18269
4786 1 11 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.700 -0.612 18269
4787 1 11 . 1 1 8 8 GLY H H 8 8.660 8.660 8.657 0.003 18269
4788 1 11 . 1 1 9 9 ALA N N 9 123.995 123.995 121.243 2.752 18269
4789 1 11 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.572 -0.132 18269
4790 1 11 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.950 -1.153 18269
4791 1 11 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.512 -0.233 18269
4792 1 11 . 1 1 9 9 ALA H H 9 8.200 8.200 7.930 0.270 18269
4793 1 11 . 1 1 10 10 ASP N N 10 119.834 119.834 117.284 2.550 18269
4794 1 11 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.689 -0.032 18269
4795 1 11 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.393 -0.853 18269
4796 1 11 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.734 -0.228 18269
4797 1 11 . 1 1 10 10 ASP H H 10 8.290 8.290 8.206 0.084 18269
4798 1 11 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.414 0.216 18269
4799 1 11 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.986 -6.229 18269
4800 1 11 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.448 13.012 18269
4801 1 11 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.344 -0.380 18269
4802 1 11 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.031 4.346 18269
4803 1 11 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.156 1.099 18269
4804 1 11 . 1 1 13 13 VAL N N 13 117.224 117.224 120.989 -3.765 18269
4805 1 11 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.782 -0.036 18269
4806 1 11 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.081 -2.034 18269
4807 1 11 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.191 0.027 18269
4808 1 11 . 1 1 13 13 VAL H H 13 7.040 7.040 8.554 -1.514 18269
4809 1 11 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.233 -0.148 18269
4810 1 11 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.685 -1.240 18269
4811 1 11 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.148 15.070 18269
4812 1 11 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.137 -0.078 18269
4813 1 11 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.511 -1.940 18269
4814 1 11 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.805 0.445 18269
4815 1 11 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.150 0.181 18269
4816 1 11 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.405 -0.231 18269
4817 1 11 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.423 -0.017 18269
4818 1 11 . 1 1 16 16 GLU H H 16 8.098 8.098 8.574 -0.476 18269
4819 1 11 . 1 1 17 17 PHE N N 17 120.745 120.745 121.459 -0.714 18269
4820 1 11 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.419 -0.104 18269
4821 1 11 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.157 0.357 18269
4822 1 11 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.303 1.210 18269
4823 1 11 . 1 1 17 17 PHE H H 17 9.126 9.126 8.210 0.916 18269
4824 1 11 . 1 1 18 18 LEU N N 18 115.787 115.787 119.194 -3.407 18269
4825 1 11 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.041 0.102 18269
4826 1 11 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.346 -0.469 18269
4827 1 11 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.647 -0.695 18269
4828 1 11 . 1 1 18 18 LEU H H 18 8.505 8.505 8.246 0.259 18269
4829 1 11 . 1 1 19 19 ASN N N 19 117.635 117.635 117.099 0.536 18269
4830 1 11 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.514 0.362 18269
4831 1 11 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.511 -0.037 18269
4832 1 11 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.976 -0.648 18269
4833 1 11 . 1 1 19 19 ASN H H 19 8.405 8.405 8.217 0.188 18269
4834 1 11 . 1 1 20 20 ARG N N 20 122.851 122.851 120.578 2.273 18269
4835 1 11 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.026 0.091 18269
4836 1 11 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.316 0.973 18269
4837 1 11 . 1 1 20 20 ARG CB C 20 30.455 30.455 29.892 0.563 18269
4838 1 11 . 1 1 20 20 ARG H H 20 8.325 8.325 8.451 -0.126 18269
4839 1 11 . 1 1 21 21 PHE N N 21 121.774 121.774 119.522 2.252 18269
4840 1 11 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.028 0.252 18269
4841 1 11 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.302 -1.291 18269
4842 1 11 . 1 1 21 21 PHE CB C 21 38.011 38.011 37.993 0.018 18269
4843 1 11 . 1 1 21 21 PHE H H 21 8.438 8.438 8.193 0.245 18269
4844 1 11 . 1 1 22 22 TYR N N 22 119.937 119.937 119.173 0.764 18269
4845 1 11 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.671 0.118 18269
4846 1 11 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.750 -1.098 18269
4847 1 11 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.294 -0.021 18269
4848 1 11 . 1 1 22 22 TYR H H 22 8.708 8.708 8.086 0.622 18269
4849 1 11 . 1 1 23 23 LYS N N 23 116.431 116.431 117.381 -0.950 18269
4850 1 11 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.083 -0.225 18269
4851 1 11 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.733 0.410 18269
4852 1 11 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.660 0.557 18269
4853 1 11 . 1 1 23 23 LYS H H 23 7.928 7.928 7.886 0.042 18269
4854 1 11 . 1 1 24 24 SER N N 24 113.888 113.888 117.004 -3.116 18269
4855 1 11 . 1 1 24 24 SER HA H 24 4.325 4.325 4.494 -0.169 18269
4856 1 11 . 1 1 24 24 SER CA C 24 61.016 61.016 60.961 0.055 18269
4857 1 11 . 1 1 24 24 SER CB C 24 62.837 62.837 62.780 0.057 18269
4858 1 11 . 1 1 24 24 SER H H 24 7.665 7.665 8.302 -0.637 18269
4859 1 11 . 1 1 25 25 LEU N N 25 119.663 119.663 123.326 -3.663 18269
4860 1 11 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.939 -0.260 18269
4861 1 11 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.981 -0.476 18269
4862 1 11 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.317 0.585 18269
4863 1 11 . 1 1 25 25 LEU H H 25 7.573 7.573 7.960 -0.387 18269
4864 1 11 . 1 1 26 26 ILE N N 26 119.781 119.781 119.167 0.614 18269
4865 1 11 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.581 0.275 18269
4866 1 11 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.721 -0.172 18269
4867 1 11 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.311 0.994 18269
4868 1 11 . 1 1 26 26 ILE H H 26 8.094 8.094 7.667 0.427 18269
4869 1 11 . 1 1 27 27 ASP N N 27 122.421 122.421 120.178 2.243 18269
4870 1 11 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.347 0.029 18269
4871 1 11 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.777 0.243 18269
4872 1 11 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.586 -0.505 18269
4873 1 11 . 1 1 27 27 ASP H H 27 9.091 9.091 8.472 0.619 18269
4874 1 11 . 1 1 28 28 ARG N N 28 115.349 115.349 117.205 -1.856 18269
4875 1 11 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.176 0.129 18269
4876 1 11 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.825 -0.327 18269
4877 1 11 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.661 0.952 18269
4878 1 11 . 1 1 28 28 ARG H H 28 7.587 7.587 8.217 -0.630 18269
4879 1 11 . 1 1 29 29 GLY N N 29 109.999 109.999 107.710 2.289 18269
4880 1 11 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.179 1.482 18269
4881 1 11 . 1 1 29 29 GLY H H 29 7.909 7.909 7.895 0.014 18269
4882 1 11 . 1 1 30 30 VAL N N 30 118.740 118.740 120.235 -1.495 18269
4883 1 11 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.449 -0.690 18269
4884 1 11 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.835 1.635 18269
4885 1 11 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.492 0.834 18269
4886 1 11 . 1 1 30 30 VAL H H 30 7.701 7.701 8.186 -0.485 18269
4887 1 11 . 1 1 31 31 ASN N N 31 123.250 123.250 124.689 -1.439 18269
4888 1 11 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.704 0.009 18269
4889 1 11 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.428 1.060 18269
4890 1 11 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.809 -0.598 18269
4891 1 11 . 1 1 31 31 ASN H H 31 8.498 8.498 8.073 0.425 18269
4892 1 11 . 1 1 32 32 PHE N N 32 126.076 126.076 118.118 7.958 18269
4893 1 11 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.203 -0.065 18269
4894 1 11 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.493 -1.846 18269
4895 1 11 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.359 -1.580 18269
4896 1 11 . 1 1 32 32 PHE H H 32 8.783 8.783 8.926 -0.143 18269
4897 1 11 . 1 1 33 33 SER N N 33 115.958 115.958 117.941 -1.983 18269
4898 1 11 . 1 1 33 33 SER HA H 33 4.736 4.736 4.404 0.332 18269
4899 1 11 . 1 1 33 33 SER CA C 33 56.745 56.745 58.406 -1.661 18269
4900 1 11 . 1 1 33 33 SER CB C 33 64.899 64.899 63.746 1.153 18269
4901 1 11 . 1 1 33 33 SER H H 33 7.699 7.699 8.269 -0.570 18269
4902 1 11 . 1 1 34 34 LEU N N 34 124.359 124.359 128.506 -4.147 18269
4903 1 11 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.998 -0.145 18269
4904 1 11 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.255 1.415 18269
4905 1 11 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.176 0.370 18269
4906 1 11 . 1 1 34 34 LEU H H 34 8.935 8.935 8.808 0.127 18269
4907 1 11 . 1 1 35 35 ASP N N 35 115.345 115.345 116.177 -0.832 18269
4908 1 11 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.402 -0.024 18269
4909 1 11 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.179 -0.321 18269
4910 1 11 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.791 -0.631 18269
4911 1 11 . 1 1 35 35 ASP H H 35 8.575 8.575 8.704 -0.129 18269
4912 1 11 . 1 1 36 36 THR N N 36 116.789 116.789 115.972 0.817 18269
4913 1 11 . 1 1 36 36 THR HA H 36 4.015 4.015 4.170 -0.154 18269
4914 1 11 . 1 1 36 36 THR CA C 36 66.069 66.069 66.705 -0.636 18269
4915 1 11 . 1 1 36 36 THR CB C 36 68.780 68.780 68.932 -0.152 18269
4916 1 11 . 1 1 36 36 THR H H 36 7.593 7.593 7.239 0.354 18269
4917 1 11 . 1 1 37 37 ILE N N 37 120.685 120.685 121.506 -0.821 18269
4918 1 11 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.681 -0.312 18269
4919 1 11 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.638 0.162 18269
4920 1 11 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.115 -0.024 18269
4921 1 11 . 1 1 37 37 ILE H H 37 8.436 8.436 8.485 -0.049 18269
4922 1 11 . 1 1 38 38 GLU N N 38 118.792 118.792 119.884 -1.092 18269
4923 1 11 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.985 -0.307 18269
4924 1 11 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.892 1.168 18269
4925 1 11 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.413 0.458 18269
4926 1 11 . 1 1 38 38 GLU H H 38 8.122 8.122 8.061 0.061 18269
4927 1 11 . 1 1 39 39 LYS N N 39 116.986 116.986 118.794 -1.808 18269
4928 1 11 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.170 -0.209 18269
4929 1 11 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.372 1.374 18269
4930 1 11 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.970 0.341 18269
4931 1 11 . 1 1 39 39 LYS H H 39 7.586 7.586 7.625 -0.039 18269
4932 1 11 . 1 1 40 40 GLU N N 40 117.892 117.892 120.064 -2.172 18269
4933 1 11 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.255 -0.050 18269
4934 1 11 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.025 -0.666 18269
4935 1 11 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.450 -0.871 18269
4936 1 11 . 1 1 40 40 GLU H H 40 8.690 8.690 8.349 0.341 18269
4937 1 11 . 1 1 41 41 LEU N N 41 125.830 125.830 120.634 5.196 18269
4938 1 11 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.353 0.194 18269
4939 1 11 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.362 0.466 18269
4940 1 11 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.736 -1.398 18269
4941 1 11 . 1 1 41 41 LEU H H 41 8.978 8.978 8.305 0.673 18269
4942 1 11 . 1 1 42 42 ILE N N 42 119.900 119.900 119.043 0.857 18269
4943 1 11 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.829 -0.245 18269
4944 1 11 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.508 1.323 18269
4945 1 11 . 1 1 42 42 ILE CB C 42 37.790 37.790 38.166 -0.376 18269
4946 1 11 . 1 1 42 42 ILE H H 42 7.884 7.884 7.451 0.433 18269
4947 1 11 . 1 1 43 43 SER N N 43 114.071 114.071 116.265 -2.194 18269
4948 1 11 . 1 1 43 43 SER HA H 43 4.277 4.277 4.117 0.160 18269
4949 1 11 . 1 1 43 43 SER CA C 43 61.598 61.598 61.880 -0.282 18269
4950 1 11 . 1 1 43 43 SER CB C 43 62.767 62.767 63.272 -0.505 18269
4951 1 11 . 1 1 43 43 SER H H 43 7.791 7.791 8.335 -0.544 18269
4952 1 11 . 1 1 44 44 PHE N N 44 125.036 125.036 120.090 4.946 18269
4953 1 11 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.296 0.033 18269
4954 1 11 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.011 -0.754 18269
4955 1 11 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.480 1.151 18269
4956 1 11 . 1 1 44 44 PHE H H 44 9.060 9.060 8.739 0.321 18269
4957 1 11 . 1 1 45 45 CYS N N 45 112.824 112.824 115.961 -3.137 18269
4958 1 11 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.933 -0.327 18269
4959 1 11 . 1 1 45 45 CYS CA C 45 59.236 59.236 58.258 0.978 18269
4960 1 11 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.450 16.173 18269
4961 1 11 . 1 1 45 45 CYS H H 45 8.254 8.254 8.238 0.016 18269
4962 1 11 . 1 1 46 46 LEU N N 46 123.875 123.875 121.471 2.404 18269
4963 1 11 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.258 -0.083 18269
4964 1 11 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.966 1.185 18269
4965 1 11 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.076 0.176 18269
4966 1 11 . 1 1 46 46 LEU H H 46 7.776 7.776 8.230 -0.454 18269
4967 1 11 . 1 1 47 47 ASP N N 47 116.880 116.880 117.513 -0.633 18269
4968 1 11 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.572 0.338 18269
4969 1 11 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.596 -2.011 18269
4970 1 11 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.773 -1.398 18269
4971 1 11 . 1 1 47 47 ASP H H 47 7.852 7.852 7.792 0.060 18269
4972 1 11 . 1 1 48 48 THR N N 48 108.053 108.053 112.479 -4.426 18269
4973 1 11 . 1 1 48 48 THR HA H 48 4.461 4.461 4.178 0.283 18269
4974 1 11 . 1 1 48 48 THR CA C 48 60.844 60.844 61.870 -1.026 18269
4975 1 11 . 1 1 48 48 THR CB C 48 73.395 73.395 70.002 3.393 18269
4976 1 11 . 1 1 48 48 THR H H 48 7.139 7.139 7.300 -0.161 18269
4977 1 11 . 1 1 49 49 LYS N N 49 118.308 118.308 119.419 -1.111 18269
4978 1 11 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.546 0.172 18269
4979 1 11 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.250 -1.206 18269
4980 1 11 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.959 2.611 18269
4981 1 11 . 1 1 49 49 LYS H H 49 8.755 8.755 9.218 -0.463 18269
4982 1 11 . 1 1 50 50 GLY N N 50 108.996 108.996 109.888 -0.892 18269
4983 1 11 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.641 -0.798 18269
4984 1 11 . 1 1 50 50 GLY H H 50 8.866 8.866 8.643 0.223 18269
4985 1 11 . 1 1 51 51 LYS N N 51 126.155 126.155 121.852 4.303 18269
4986 1 11 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.093 -0.123 18269
4987 1 11 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.074 -0.964 18269
4988 1 11 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.226 0.393 18269
4989 1 11 . 1 1 51 51 LYS H H 51 9.254 9.254 8.619 0.635 18269
4990 1 11 . 1 1 52 52 GLU N N 52 116.496 116.496 118.629 -2.133 18269
4991 1 11 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.135 -0.612 18269
4992 1 11 . 1 1 52 52 GLU CA C 52 59.390 59.390 58.986 0.404 18269
4993 1 11 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.650 -0.964 18269
4994 1 11 . 1 1 52 52 GLU H H 52 8.223 8.223 8.041 0.182 18269
4995 1 11 . 1 1 53 53 ASN N N 53 119.000 119.000 119.825 -0.825 18269
4996 1 11 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.662 -0.278 18269
4997 1 11 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.894 1.084 18269
4998 1 11 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.635 0.812 18269
4999 1 11 . 1 1 53 53 ASN H H 53 6.840 6.840 8.635 -1.795 18269
5000 1 11 . 1 1 54 54 ARG N N 54 118.480 118.480 119.930 -1.450 18269
5001 1 11 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.082 -0.313 18269
5002 1 11 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.954 -0.557 18269
5003 1 11 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.806 -1.066 18269
5004 1 11 . 1 1 54 54 ARG H H 54 7.456 7.456 8.001 -0.545 18269
5005 1 11 . 1 1 55 55 LEU N N 55 118.688 118.688 119.297 -0.609 18269
5006 1 11 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.194 -0.386 18269
5007 1 11 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.009 0.450 18269
5008 1 11 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.789 -1.669 18269
5009 1 11 . 1 1 55 55 LEU H H 55 7.843 7.843 7.725 0.118 18269
5010 1 11 . 1 1 56 56 CYS N N 56 115.905 115.905 117.272 -1.367 18269
5011 1 11 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.905 -0.032 18269
5012 1 11 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.575 1.462 18269
5013 1 11 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.316 16.589 18269
5014 1 11 . 1 1 56 56 CYS H H 56 7.752 7.752 7.557 0.195 18269
5015 1 11 . 1 1 57 57 TYR N N 57 121.810 121.810 117.615 4.195 18269
5016 1 11 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.011 0.132 18269
5017 1 11 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.053 0.262 18269
5018 1 11 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.502 -0.448 18269
5019 1 11 . 1 1 57 57 TYR H H 57 7.911 7.911 7.587 0.324 18269
5020 1 11 . 1 1 58 58 TYR N N 58 121.916 121.916 116.720 5.196 18269
5021 1 11 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.417 -0.042 18269
5022 1 11 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.058 -0.049 18269
5023 1 11 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.320 -0.296 18269
5024 1 11 . 1 1 58 58 TYR H H 58 8.334 8.334 7.190 1.144 18269
5025 1 11 . 1 1 59 59 LEU N N 59 114.461 114.461 115.486 -1.025 18269
5026 1 11 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.085 0.035 18269
5027 1 11 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.785 -0.556 18269
5028 1 11 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.173 -0.128 18269
5029 1 11 . 1 1 59 59 LEU H H 59 8.079 8.079 7.885 0.194 18269
5030 1 11 . 1 1 60 60 GLY N N 60 102.559 102.559 103.725 -1.166 18269
5031 1 11 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.453 0.119 18269
5032 1 11 . 1 1 60 60 GLY H H 60 7.562 7.562 7.603 -0.041 18269
5033 1 11 . 1 1 61 61 ALA N N 61 120.327 120.327 123.212 -2.885 18269
5034 1 11 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.267 0.134 18269
5035 1 11 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.798 -1.533 18269
5036 1 11 . 1 1 61 61 ALA CB C 61 20.337 20.337 19.320 1.017 18269
5037 1 11 . 1 1 61 61 ALA H H 61 7.995 7.995 7.580 0.415 18269
5038 1 11 . 1 1 62 62 THR N N 62 106.895 106.895 115.045 -8.150 18269
5039 1 11 . 1 1 62 62 THR HA H 62 4.518 4.518 4.010 0.508 18269
5040 1 11 . 1 1 62 62 THR CA C 62 59.982 59.982 62.815 -2.833 18269
5041 1 11 . 1 1 62 62 THR CB C 62 70.540 70.540 68.727 1.813 18269
5042 1 11 . 1 1 62 62 THR H H 62 7.156 7.156 7.311 -0.155 18269
5043 1 11 . 1 1 63 63 LYS N N 63 121.251 121.251 124.356 -3.105 18269
5044 1 11 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.227 -0.130 18269
5045 1 11 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.100 1.172 18269
5046 1 11 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.161 0.994 18269
5047 1 11 . 1 1 63 63 LYS H H 63 8.626 8.626 8.524 0.102 18269
5048 1 11 . 1 1 64 64 ASP N N 64 116.607 116.607 119.488 -2.881 18269
5049 1 11 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.726 -0.169 18269
5050 1 11 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.564 -0.662 18269
5051 1 11 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.270 -1.164 18269
5052 1 11 . 1 1 64 64 ASP H H 64 8.441 8.441 7.986 0.455 18269
5053 1 11 . 1 1 65 65 ALA N N 65 122.486 122.486 120.457 2.029 18269
5054 1 11 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.644 -0.559 18269
5055 1 11 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.867 1.682 18269
5056 1 11 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.047 -1.490 18269
5057 1 11 . 1 1 65 65 ALA H H 65 7.368 7.368 7.453 -0.085 18269
5058 1 11 . 1 1 66 66 ALA N N 66 124.171 124.171 122.445 1.726 18269
5059 1 11 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.479 -0.035 18269
5060 1 11 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.306 0.165 18269
5061 1 11 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.143 0.122 18269
5062 1 11 . 1 1 66 66 ALA H H 66 8.300 8.300 8.544 -0.244 18269
5063 1 11 . 1 1 67 67 THR N N 67 111.638 111.638 117.124 -5.486 18269
5064 1 11 . 1 1 67 67 THR HA H 67 4.496 4.496 4.129 0.367 18269
5065 1 11 . 1 1 67 67 THR CA C 67 60.881 60.881 64.527 -3.646 18269
5066 1 11 . 1 1 67 67 THR CB C 67 70.199 70.199 69.104 1.095 18269
5067 1 11 . 1 1 67 67 THR H H 67 7.730 7.730 8.488 -0.758 18269
5068 1 11 . 1 1 68 68 LYS N N 68 121.732 121.732 121.542 0.190 18269
5069 1 11 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.264 0.272 18269
5070 1 11 . 1 1 68 68 LYS CA C 68 56.562 56.562 57.780 -1.218 18269
5071 1 11 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.406 0.693 18269
5072 1 11 . 1 1 68 68 LYS H H 68 8.502 8.502 8.049 0.453 18269
5073 1 11 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.889 0.450 18269
5074 1 11 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.509 -1.803 18269
5075 1 11 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.235 0.565 18269
5076 1 11 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.037 0.094 18269
5077 1 11 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.678 0.938 18269
5078 1 11 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.887 -0.149 18269
5079 1 11 . 1 1 71 71 SER HA H 71 4.817 4.817 4.239 0.578 18269
5080 1 11 . 1 1 71 71 SER CA C 71 60.667 60.667 60.505 0.162 18269
5081 1 11 . 1 1 71 71 SER CB C 71 62.646 62.646 63.075 -0.429 18269
5082 1 11 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.174 0.090 18269
5083 1 11 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.739 -2.110 18269
5084 1 11 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.297 -1.050 18269
5085 1 11 . 1 1 73 73 VAL N N 73 114.786 114.786 117.690 -2.904 18269
5086 1 11 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.988 0.114 18269
5087 1 11 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.932 -2.191 18269
5088 1 11 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.253 1.012 18269
5089 1 11 . 1 1 73 73 VAL H H 73 7.812 7.812 7.421 0.391 18269
5090 1 11 . 1 1 74 74 THR HA H 74 3.767 3.767 3.893 -0.126 18269
5091 1 11 . 1 1 74 74 THR CA C 74 65.584 65.584 66.535 -0.951 18269
5092 1 11 . 1 1 74 74 THR CB C 74 67.470 67.470 68.187 -0.717 18269
5093 1 11 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.250 -0.004 18269
5094 1 11 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.491 1.892 18269
5095 1 11 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.709 0.911 18269
5096 1 11 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.303 0.182 18269
5097 1 11 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.103 0.594 18269
5098 1 11 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.611 -0.716 18269
5099 1 11 . 1 1 77 77 MET N N 77 117.583 117.583 116.710 0.873 18269
5100 1 11 . 1 1 77 77 MET HA H 77 4.684 4.684 4.103 0.581 18269
5101 1 11 . 1 1 77 77 MET CA C 77 59.347 59.347 57.152 2.195 18269
5102 1 11 . 1 1 77 77 MET CB C 77 32.996 32.996 32.358 0.638 18269
5103 1 11 . 1 1 77 77 MET H H 77 7.685 7.685 8.427 -0.742 18269
5104 1 11 . 1 1 78 78 SER N N 78 114.578 114.578 113.878 0.700 18269
5105 1 11 . 1 1 78 78 SER HA H 78 4.226 4.226 4.102 0.124 18269
5106 1 11 . 1 1 78 78 SER CA C 78 61.922 61.922 60.744 1.178 18269
5107 1 11 . 1 1 78 78 SER CB C 78 62.406 62.406 63.061 -0.655 18269
5108 1 11 . 1 1 78 78 SER H H 78 8.285 8.285 7.813 0.472 18269
5109 1 11 . 1 1 79 79 VAL N N 79 111.248 111.248 118.009 -6.761 18269
5110 1 11 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.301 0.450 18269
5111 1 11 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.006 0.120 18269
5112 1 11 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.644 -5.298 18269
5113 1 11 . 1 1 79 79 VAL H H 79 7.004 7.004 7.758 -0.754 18269
5114 1 11 . 1 1 80 80 HIS N N 80 116.703 116.703 124.219 -7.516 18269
5115 1 11 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.769 -0.653 18269
5116 1 11 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.726 -0.900 18269
5117 1 11 . 1 1 80 80 HIS CB C 80 25.889 25.889 28.934 -3.046 18269
5118 1 11 . 1 1 80 80 HIS H H 80 8.289 8.289 8.782 -0.493 18269
5119 1 11 . 1 1 81 81 MET N N 81 120.978 120.978 124.051 -3.073 18269
5120 1 11 . 1 1 81 81 MET HA H 81 4.512 4.512 4.904 -0.392 18269
5121 1 11 . 1 1 81 81 MET CA C 81 55.007 55.007 52.667 2.340 18269
5122 1 11 . 1 1 81 81 MET CB C 81 33.265 33.265 32.952 0.313 18269
5123 1 11 . 1 1 81 81 MET H H 81 8.006 8.006 8.331 -0.325 18269
5124 1 11 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.228 0.113 18269
5125 1 11 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.780 -1.544 18269
5126 1 11 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.593 2.070 18269
5127 1 11 . 1 1 83 83 ALA N N 83 126.545 126.545 120.710 5.835 18269
5128 1 11 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.958 -0.012 18269
5129 1 11 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.054 0.918 18269
5130 1 11 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.636 0.840 18269
5131 1 11 . 1 1 83 83 ALA H H 83 9.196 9.196 8.184 1.012 18269
5132 1 11 . 1 1 84 84 MET N N 84 114.734 114.734 117.469 -2.735 18269
5133 1 11 . 1 1 84 84 MET HA H 84 4.024 4.024 4.434 -0.410 18269
5134 1 11 . 1 1 84 84 MET CA C 84 58.812 58.812 58.080 0.732 18269
5135 1 11 . 1 1 84 84 MET CB C 84 32.242 32.242 32.021 0.221 18269
5136 1 11 . 1 1 84 84 MET H H 84 9.289 9.289 8.118 1.171 18269
5137 1 11 . 1 1 85 85 LYS N N 85 116.490 116.490 118.684 -2.194 18269
5138 1 11 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.264 -0.090 18269
5139 1 11 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.730 -0.614 18269
5140 1 11 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.550 -0.757 18269
5141 1 11 . 1 1 85 85 LYS H H 85 6.997 6.997 8.622 -1.625 18269
5142 1 11 . 1 1 86 86 ILE N N 86 120.561 120.561 121.169 -0.608 18269
5143 1 11 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.729 -0.114 18269
5144 1 11 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.872 1.406 18269
5145 1 11 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.905 -0.385 18269
5146 1 11 . 1 1 86 86 ILE H H 86 7.875 7.875 7.522 0.353 18269
5147 1 11 . 1 1 87 87 CYS N N 87 117.323 117.323 119.735 -2.412 18269
5148 1 11 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.070 0.006 18269
5149 1 11 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.336 -1.276 18269
5150 1 11 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.712 17.021 18269
5151 1 11 . 1 1 87 87 CYS H H 87 8.643 8.643 8.131 0.512 18269
5152 1 11 . 1 1 88 88 GLU N N 88 118.070 118.070 120.425 -2.355 18269
5153 1 11 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.972 -0.024 18269
5154 1 11 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.664 0.099 18269
5155 1 11 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.399 0.364 18269
5156 1 11 . 1 1 88 88 GLU H H 88 8.045 8.045 8.403 -0.358 18269
5157 1 11 . 1 1 89 89 LYS N N 89 119.719 119.719 119.119 0.600 18269
5158 1 11 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.072 0.066 18269
5159 1 11 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.186 -0.056 18269
5160 1 11 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.319 -0.616 18269
5161 1 11 . 1 1 89 89 LYS H H 89 7.530 7.530 7.678 -0.148 18269
5162 1 11 . 1 1 90 90 LEU N N 90 119.550 119.550 119.019 0.531 18269
5163 1 11 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.226 -0.261 18269
5164 1 11 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.249 0.094 18269
5165 1 11 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.750 -0.759 18269
5166 1 11 . 1 1 90 90 LEU H H 90 8.422 8.422 7.811 0.611 18269
5167 1 11 . 1 1 91 91 LYS N N 91 119.180 119.180 118.036 1.144 18269
5168 1 11 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.419 -0.557 18269
5169 1 11 . 1 1 91 91 LYS CA C 91 58.605 58.605 57.623 0.982 18269
5170 1 11 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.618 0.859 18269
5171 1 11 . 1 1 91 91 LYS H H 91 8.218 8.218 8.334 -0.116 18269
5172 1 11 . 1 1 92 92 LYS N N 92 113.632 113.632 118.582 -4.950 18269
5173 1 11 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.055 -0.002 18269
5174 1 11 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.474 -0.916 18269
5175 1 11 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.500 -0.566 18269
5176 1 11 . 1 1 92 92 LYS H H 92 6.984 6.984 7.613 -0.629 18269
5177 1 11 . 1 1 93 93 LEU N N 93 119.104 119.104 117.315 1.789 18269
5178 1 11 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.209 0.081 18269
5179 1 11 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.703 -0.599 18269
5180 1 11 . 1 1 93 93 LEU CB C 93 42.102 42.102 42.866 -0.764 18269
5181 1 11 . 1 1 93 93 LEU H H 93 7.456 7.456 7.491 -0.035 18269
5182 1 11 . 1 1 94 94 ASP N N 94 116.790 116.790 118.392 -1.602 18269
5183 1 11 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.713 -0.157 18269
5184 1 11 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.801 0.565 18269
5185 1 11 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.074 -0.901 18269
5186 1 11 . 1 1 94 94 ASP H H 94 7.911 7.911 7.841 0.070 18269
5187 1 11 . 1 1 95 95 SER N N 95 122.399 122.399 121.126 1.273 18269
5188 1 11 . 1 1 95 95 SER HA H 95 4.186 4.186 4.244 -0.058 18269
5189 1 11 . 1 1 95 95 SER CA C 95 61.472 61.472 60.395 1.077 18269
5190 1 11 . 1 1 95 95 SER CB C 95 62.568 62.568 62.886 -0.318 18269
5191 1 11 . 1 1 95 95 SER H H 95 8.894 8.894 8.812 0.082 18269
5192 1 11 . 1 1 96 96 GLN N N 96 120.800 120.800 119.744 1.056 18269
5193 1 11 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.036 -0.174 18269
5194 1 11 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.900 0.251 18269
5195 1 11 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.344 0.073 18269
5196 1 11 . 1 1 96 96 GLN H H 96 8.610 8.610 7.794 0.816 18269
5197 1 11 . 1 1 97 97 ILE N N 97 117.387 117.387 118.084 -0.697 18269
5198 1 11 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.599 -0.200 18269
5199 1 11 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.461 1.370 18269
5200 1 11 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.856 0.418 18269
5201 1 11 . 1 1 97 97 ILE H H 97 7.470 7.470 7.492 -0.022 18269
5202 1 11 . 1 1 98 98 CYS N N 98 113.485 113.485 118.332 -4.847 18269
5203 1 11 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.305 0.766 18269
5204 1 11 . 1 1 98 98 CYS CA C 98 61.973 61.973 60.143 1.830 18269
5205 1 11 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.226 21.360 18269
5206 1 11 . 1 1 98 98 CYS H H 98 7.410 7.410 7.551 -0.141 18269
5207 1 11 . 1 1 99 99 GLU N N 99 119.123 119.123 118.829 0.294 18269
5208 1 11 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.420 -0.097 18269
5209 1 11 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.800 0.926 18269
5210 1 11 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.963 2.016 18269
5211 1 11 . 1 1 99 99 GLU H H 99 7.308 7.308 8.155 -0.847 18269
5212 1 11 . 1 1 100 100 LEU N N 100 115.771 115.771 121.107 -5.336 18269
5213 1 11 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.155 0.142 18269
5214 1 11 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.059 -0.377 18269
5215 1 11 . 1 1 100 100 LEU CB C 100 42.961 42.961 43.239 -0.278 18269
5216 1 11 . 1 1 100 100 LEU H H 100 6.496 6.496 7.226 -0.730 18269
5217 1 11 . 1 1 101 101 LYS N N 101 125.672 125.672 113.991 11.681 18269
5218 1 11 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.205 0.389 18269
5219 1 11 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.817 -1.467 18269
5220 1 11 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.030 5.692 18269
5221 1 11 . 1 1 101 101 LYS H H 101 8.575 8.575 7.837 0.738 18269
5222 1 11 . 1 1 102 102 TYR N N 102 120.395 120.395 124.022 -3.627 18269
5223 1 11 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.060 0.322 18269
5224 1 11 . 1 1 102 102 TYR CA C 102 60.024 60.024 62.013 -1.989 18269
5225 1 11 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.736 -0.408 18269
5226 1 11 . 1 1 102 102 TYR H H 102 8.756 8.756 9.332 -0.576 18269
5227 1 11 . 1 1 103 103 GLU N N 103 121.550 121.550 116.599 4.951 18269
5228 1 11 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.363 0.029 18269
5229 1 11 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.387 -1.060 18269
5230 1 11 . 1 1 103 103 GLU CB C 103 30.302 30.302 30.549 -0.247 18269
5231 1 11 . 1 1 103 103 GLU H H 103 8.835 8.835 8.755 0.080 18269
5232 1 11 . 1 1 104 104 LYS N N 104 122.957 122.957 119.508 3.449 18269
5233 1 11 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.461 0.000 18269
5234 1 11 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.001 -0.727 18269
5235 1 11 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.734 0.313 18269
5236 1 11 . 1 1 104 104 LYS H H 104 8.490 8.490 8.149 0.341 18269
5237 1 12 . 1 1 2 2 GLU N N 2 121.590 121.590 125.334 -3.744 18269
5238 1 12 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.180 0.114 18269
5239 1 12 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.583 -1.066 18269
5240 1 12 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.177 1.974 18269
5241 1 12 . 1 1 2 2 GLU H H 2 8.621 8.621 8.697 -0.076 18269
5242 1 12 . 1 1 3 3 ALA N N 3 125.815 125.815 128.868 -3.053 18269
5243 1 12 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.564 -0.198 18269
5244 1 12 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.184 1.473 18269
5245 1 12 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.101 0.846 18269
5246 1 12 . 1 1 3 3 ALA H H 3 8.598 8.598 8.130 0.468 18269
5247 1 12 . 1 1 4 4 GLY N N 4 108.386 108.386 111.029 -2.643 18269
5248 1 12 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.866 0.271 18269
5249 1 12 . 1 1 4 4 GLY H H 4 8.487 8.487 7.755 0.732 18269
5250 1 12 . 1 1 5 5 GLY N N 5 108.367 108.367 110.622 -2.255 18269
5251 1 12 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.634 0.120 18269
5252 1 12 . 1 1 5 5 GLY H H 5 8.274 8.274 8.456 -0.182 18269
5253 1 12 . 1 1 6 6 ARG N N 6 121.577 121.577 120.659 0.918 18269
5254 1 12 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.046 0.629 18269
5255 1 12 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.499 -1.618 18269
5256 1 12 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.552 0.583 18269
5257 1 12 . 1 1 6 6 ARG H H 6 8.297 8.297 8.095 0.202 18269
5258 1 12 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.643 -0.152 18269
5259 1 12 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.329 1.024 18269
5260 1 12 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.006 1.041 18269
5261 1 12 . 1 1 8 8 GLY N N 8 109.658 109.658 107.939 1.719 18269
5262 1 12 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.097 -1.009 18269
5263 1 12 . 1 1 8 8 GLY H H 8 8.660 8.660 8.222 0.438 18269
5264 1 12 . 1 1 9 9 ALA N N 9 123.995 123.995 120.953 3.042 18269
5265 1 12 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.826 -0.386 18269
5266 1 12 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.733 -0.936 18269
5267 1 12 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.290 -0.011 18269
5268 1 12 . 1 1 9 9 ALA H H 9 8.200 8.200 7.813 0.387 18269
5269 1 12 . 1 1 10 10 ASP N N 10 119.834 119.834 118.629 1.205 18269
5270 1 12 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.734 -0.077 18269
5271 1 12 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.051 -0.511 18269
5272 1 12 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.938 -1.432 18269
5273 1 12 . 1 1 10 10 ASP H H 10 8.290 8.290 8.400 -0.110 18269
5274 1 12 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.620 0.010 18269
5275 1 12 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.862 -5.104 18269
5276 1 12 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.660 12.800 18269
5277 1 12 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.367 -0.403 18269
5278 1 12 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.457 3.920 18269
5279 1 12 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.982 1.273 18269
5280 1 12 . 1 1 13 13 VAL N N 13 117.224 117.224 122.004 -4.780 18269
5281 1 12 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.311 0.435 18269
5282 1 12 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.600 -2.554 18269
5283 1 12 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.819 -0.601 18269
5284 1 12 . 1 1 13 13 VAL H H 13 7.040 7.040 8.313 -1.273 18269
5285 1 12 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.091 -0.006 18269
5286 1 12 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.239 -0.794 18269
5287 1 12 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.657 15.562 18269
5288 1 12 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.877 0.182 18269
5289 1 12 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.869 -2.298 18269
5290 1 12 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.883 0.367 18269
5291 1 12 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.081 0.250 18269
5292 1 12 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.547 -0.373 18269
5293 1 12 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.383 0.023 18269
5294 1 12 . 1 1 16 16 GLU H H 16 8.098 8.098 8.568 -0.470 18269
5295 1 12 . 1 1 17 17 PHE N N 17 120.745 120.745 120.915 -0.170 18269
5296 1 12 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.437 -0.122 18269
5297 1 12 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.145 0.368 18269
5298 1 12 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.271 1.242 18269
5299 1 12 . 1 1 17 17 PHE H H 17 9.126 9.126 8.424 0.702 18269
5300 1 12 . 1 1 18 18 LEU N N 18 115.787 115.787 118.951 -3.164 18269
5301 1 12 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.882 0.261 18269
5302 1 12 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.384 -0.507 18269
5303 1 12 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.496 -0.544 18269
5304 1 12 . 1 1 18 18 LEU H H 18 8.505 8.505 8.145 0.360 18269
5305 1 12 . 1 1 19 19 ASN N N 19 117.635 117.635 116.785 0.850 18269
5306 1 12 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.522 0.353 18269
5307 1 12 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.706 -0.232 18269
5308 1 12 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.929 -0.601 18269
5309 1 12 . 1 1 19 19 ASN H H 19 8.405 8.405 8.120 0.285 18269
5310 1 12 . 1 1 20 20 ARG N N 20 122.851 122.851 119.965 2.886 18269
5311 1 12 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.123 -0.006 18269
5312 1 12 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.317 0.972 18269
5313 1 12 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.102 0.353 18269
5314 1 12 . 1 1 20 20 ARG H H 20 8.325 8.325 8.039 0.286 18269
5315 1 12 . 1 1 21 21 PHE N N 21 121.774 121.774 121.791 -0.017 18269
5316 1 12 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.140 0.140 18269
5317 1 12 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.002 -1.991 18269
5318 1 12 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.089 -0.078 18269
5319 1 12 . 1 1 21 21 PHE H H 21 8.438 8.438 8.221 0.217 18269
5320 1 12 . 1 1 22 22 TYR N N 22 119.937 119.937 119.866 0.071 18269
5321 1 12 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.905 -0.116 18269
5322 1 12 . 1 1 22 22 TYR CA C 22 61.652 61.652 59.912 1.740 18269
5323 1 12 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.241 0.033 18269
5324 1 12 . 1 1 22 22 TYR H H 22 8.708 8.708 8.428 0.280 18269
5325 1 12 . 1 1 23 23 LYS N N 23 116.431 116.431 117.215 -0.784 18269
5326 1 12 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.997 -0.138 18269
5327 1 12 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.074 1.069 18269
5328 1 12 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.539 0.678 18269
5329 1 12 . 1 1 23 23 LYS H H 23 7.928 7.928 7.672 0.256 18269
5330 1 12 . 1 1 24 24 SER N N 24 113.888 113.888 118.053 -4.165 18269
5331 1 12 . 1 1 24 24 SER HA H 24 4.325 4.325 4.156 0.169 18269
5332 1 12 . 1 1 24 24 SER CA C 24 61.016 61.016 62.225 -1.210 18269
5333 1 12 . 1 1 24 24 SER CB C 24 62.837 62.837 62.728 0.109 18269
5334 1 12 . 1 1 24 24 SER H H 24 7.665 7.665 7.722 -0.057 18269
5335 1 12 . 1 1 25 25 LEU N N 25 119.663 119.663 120.889 -1.226 18269
5336 1 12 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.968 -0.289 18269
5337 1 12 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.777 -0.272 18269
5338 1 12 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.012 0.890 18269
5339 1 12 . 1 1 25 25 LEU H H 25 7.573 7.573 7.568 0.005 18269
5340 1 12 . 1 1 26 26 ILE N N 26 119.781 119.781 119.812 -0.031 18269
5341 1 12 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.684 0.172 18269
5342 1 12 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.799 -0.250 18269
5343 1 12 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.712 0.593 18269
5344 1 12 . 1 1 26 26 ILE H H 26 8.094 8.094 7.045 1.049 18269
5345 1 12 . 1 1 27 27 ASP N N 27 122.421 122.421 120.362 2.059 18269
5346 1 12 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.317 0.059 18269
5347 1 12 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.953 0.067 18269
5348 1 12 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.203 -1.123 18269
5349 1 12 . 1 1 27 27 ASP H H 27 9.091 9.091 8.400 0.691 18269
5350 1 12 . 1 1 28 28 ARG N N 28 115.349 115.349 117.406 -2.057 18269
5351 1 12 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.196 0.109 18269
5352 1 12 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.416 0.082 18269
5353 1 12 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.685 0.928 18269
5354 1 12 . 1 1 28 28 ARG H H 28 7.587 7.587 8.112 -0.525 18269
5355 1 12 . 1 1 29 29 GLY N N 29 109.999 109.999 107.728 2.271 18269
5356 1 12 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.439 1.222 18269
5357 1 12 . 1 1 29 29 GLY H H 29 7.909 7.909 7.507 0.402 18269
5358 1 12 . 1 1 30 30 VAL N N 30 118.740 118.740 117.095 1.645 18269
5359 1 12 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.474 -0.715 18269
5360 1 12 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.826 1.644 18269
5361 1 12 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.873 -0.547 18269
5362 1 12 . 1 1 30 30 VAL H H 30 7.701 7.701 7.922 -0.221 18269
5363 1 12 . 1 1 31 31 ASN N N 31 123.250 123.250 117.375 5.875 18269
5364 1 12 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.654 0.059 18269
5365 1 12 . 1 1 31 31 ASN CA C 31 53.488 53.488 51.732 1.756 18269
5366 1 12 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.088 -0.877 18269
5367 1 12 . 1 1 31 31 ASN H H 31 8.498 8.498 7.573 0.925 18269
5368 1 12 . 1 1 32 32 PHE N N 32 126.076 126.076 115.027 11.049 18269
5369 1 12 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.090 0.048 18269
5370 1 12 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.974 -2.327 18269
5371 1 12 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.857 -1.078 18269
5372 1 12 . 1 1 32 32 PHE H H 32 8.783 8.783 8.678 0.105 18269
5373 1 12 . 1 1 33 33 SER N N 33 115.958 115.958 117.775 -1.817 18269
5374 1 12 . 1 1 33 33 SER HA H 33 4.736 4.736 4.453 0.283 18269
5375 1 12 . 1 1 33 33 SER CA C 33 56.745 56.745 58.634 -1.889 18269
5376 1 12 . 1 1 33 33 SER CB C 33 64.899 64.899 62.924 1.975 18269
5377 1 12 . 1 1 33 33 SER H H 33 7.699 7.699 8.159 -0.460 18269
5378 1 12 . 1 1 34 34 LEU N N 34 124.359 124.359 129.513 -5.154 18269
5379 1 12 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.050 -0.197 18269
5380 1 12 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.842 0.829 18269
5381 1 12 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.210 0.336 18269
5382 1 12 . 1 1 34 34 LEU H H 34 8.935 8.935 8.590 0.345 18269
5383 1 12 . 1 1 35 35 ASP N N 35 115.345 115.345 117.001 -1.656 18269
5384 1 12 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.447 -0.069 18269
5385 1 12 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.571 -0.713 18269
5386 1 12 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.832 -0.672 18269
5387 1 12 . 1 1 35 35 ASP H H 35 8.575 8.575 8.755 -0.180 18269
5388 1 12 . 1 1 36 36 THR N N 36 116.789 116.789 116.355 0.434 18269
5389 1 12 . 1 1 36 36 THR HA H 36 4.015 4.015 4.196 -0.181 18269
5390 1 12 . 1 1 36 36 THR CA C 36 66.069 66.069 66.850 -0.782 18269
5391 1 12 . 1 1 36 36 THR CB C 36 68.780 68.780 68.910 -0.130 18269
5392 1 12 . 1 1 36 36 THR H H 36 7.593 7.593 7.398 0.195 18269
5393 1 12 . 1 1 37 37 ILE N N 37 120.685 120.685 122.323 -1.638 18269
5394 1 12 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.776 -0.407 18269
5395 1 12 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.852 -0.052 18269
5396 1 12 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.529 -0.438 18269
5397 1 12 . 1 1 37 37 ILE H H 37 8.436 8.436 8.768 -0.332 18269
5398 1 12 . 1 1 38 38 GLU N N 38 118.792 118.792 121.284 -2.492 18269
5399 1 12 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.903 -0.225 18269
5400 1 12 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.990 1.070 18269
5401 1 12 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.522 0.349 18269
5402 1 12 . 1 1 38 38 GLU H H 38 8.122 8.122 8.343 -0.221 18269
5403 1 12 . 1 1 39 39 LYS N N 39 116.986 116.986 119.569 -2.583 18269
5404 1 12 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.098 -0.137 18269
5405 1 12 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.709 1.037 18269
5406 1 12 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.140 0.170 18269
5407 1 12 . 1 1 39 39 LYS H H 39 7.586 7.586 7.651 -0.064 18269
5408 1 12 . 1 1 40 40 GLU N N 40 117.892 117.892 119.959 -2.067 18269
5409 1 12 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.240 -0.035 18269
5410 1 12 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.152 -0.793 18269
5411 1 12 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.529 -0.950 18269
5412 1 12 . 1 1 40 40 GLU H H 40 8.690 8.690 8.506 0.184 18269
5413 1 12 . 1 1 41 41 LEU N N 41 125.830 125.830 121.259 4.571 18269
5414 1 12 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.679 -0.132 18269
5415 1 12 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.995 -0.167 18269
5416 1 12 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.737 -1.399 18269
5417 1 12 . 1 1 41 41 LEU H H 41 8.978 8.978 8.409 0.569 18269
5418 1 12 . 1 1 42 42 ILE N N 42 119.900 119.900 119.980 -0.080 18269
5419 1 12 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.846 -0.262 18269
5420 1 12 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.285 0.547 18269
5421 1 12 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.869 -0.079 18269
5422 1 12 . 1 1 42 42 ILE H H 42 7.884 7.884 7.891 -0.007 18269
5423 1 12 . 1 1 43 43 SER N N 43 114.071 114.071 115.180 -1.109 18269
5424 1 12 . 1 1 43 43 SER HA H 43 4.277 4.277 4.185 0.092 18269
5425 1 12 . 1 1 43 43 SER CA C 43 61.598 61.598 62.093 -0.495 18269
5426 1 12 . 1 1 43 43 SER CB C 43 62.767 62.767 63.273 -0.506 18269
5427 1 12 . 1 1 43 43 SER H H 43 7.791 7.791 8.163 -0.372 18269
5428 1 12 . 1 1 44 44 PHE N N 44 125.036 125.036 122.180 2.856 18269
5429 1 12 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.262 0.067 18269
5430 1 12 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.699 -0.442 18269
5431 1 12 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.243 1.388 18269
5432 1 12 . 1 1 44 44 PHE H H 44 9.060 9.060 8.828 0.232 18269
5433 1 12 . 1 1 45 45 CYS N N 45 112.824 112.824 119.533 -6.709 18269
5434 1 12 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.541 0.065 18269
5435 1 12 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.671 -2.435 18269
5436 1 12 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.997 16.626 18269
5437 1 12 . 1 1 45 45 CYS H H 45 8.254 8.254 8.678 -0.424 18269
5438 1 12 . 1 1 46 46 LEU N N 46 123.875 123.875 119.832 4.043 18269
5439 1 12 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.277 -0.102 18269
5440 1 12 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.229 0.922 18269
5441 1 12 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.572 0.680 18269
5442 1 12 . 1 1 46 46 LEU H H 46 7.776 7.776 7.629 0.147 18269
5443 1 12 . 1 1 47 47 ASP N N 47 116.880 116.880 116.609 0.271 18269
5444 1 12 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.505 0.405 18269
5445 1 12 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.648 -2.063 18269
5446 1 12 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.728 -1.353 18269
5447 1 12 . 1 1 47 47 ASP H H 47 7.852 7.852 8.309 -0.457 18269
5448 1 12 . 1 1 48 48 THR N N 48 108.053 108.053 114.126 -6.073 18269
5449 1 12 . 1 1 48 48 THR HA H 48 4.461 4.461 4.112 0.349 18269
5450 1 12 . 1 1 48 48 THR CA C 48 60.844 60.844 61.956 -1.112 18269
5451 1 12 . 1 1 48 48 THR CB C 48 73.395 73.395 69.697 3.698 18269
5452 1 12 . 1 1 48 48 THR H H 48 7.139 7.139 7.620 -0.481 18269
5453 1 12 . 1 1 49 49 LYS N N 49 118.308 118.308 119.350 -1.042 18269
5454 1 12 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.515 0.203 18269
5455 1 12 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.867 -0.823 18269
5456 1 12 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.091 3.479 18269
5457 1 12 . 1 1 49 49 LYS H H 49 8.755 8.755 9.298 -0.543 18269
5458 1 12 . 1 1 50 50 GLY N N 50 108.996 108.996 110.292 -1.296 18269
5459 1 12 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.769 -0.926 18269
5460 1 12 . 1 1 50 50 GLY H H 50 8.866 8.866 8.648 0.218 18269
5461 1 12 . 1 1 51 51 LYS N N 51 126.155 126.155 121.347 4.808 18269
5462 1 12 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.167 -0.197 18269
5463 1 12 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.073 -0.963 18269
5464 1 12 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.247 0.372 18269
5465 1 12 . 1 1 51 51 LYS H H 51 9.254 9.254 8.505 0.749 18269
5466 1 12 . 1 1 52 52 GLU N N 52 116.496 116.496 118.666 -2.170 18269
5467 1 12 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.156 -0.633 18269
5468 1 12 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.244 0.146 18269
5469 1 12 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.791 -1.105 18269
5470 1 12 . 1 1 52 52 GLU H H 52 8.223 8.223 8.154 0.069 18269
5471 1 12 . 1 1 53 53 ASN N N 53 119.000 119.000 117.334 1.666 18269
5472 1 12 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.771 -0.387 18269
5473 1 12 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.301 1.677 18269
5474 1 12 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.498 0.948 18269
5475 1 12 . 1 1 53 53 ASN H H 53 6.840 6.840 8.678 -1.838 18269
5476 1 12 . 1 1 54 54 ARG N N 54 118.480 118.480 118.787 -0.307 18269
5477 1 12 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.453 -0.684 18269
5478 1 12 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.278 0.119 18269
5479 1 12 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.025 -1.285 18269
5480 1 12 . 1 1 54 54 ARG H H 54 7.456 7.456 7.683 -0.227 18269
5481 1 12 . 1 1 55 55 LEU N N 55 118.688 118.688 122.212 -3.524 18269
5482 1 12 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.493 -0.685 18269
5483 1 12 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.976 0.483 18269
5484 1 12 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.652 -1.532 18269
5485 1 12 . 1 1 55 55 LEU H H 55 7.843 7.843 7.862 -0.019 18269
5486 1 12 . 1 1 56 56 CYS N N 56 115.905 115.905 115.804 0.101 18269
5487 1 12 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.971 -0.098 18269
5488 1 12 . 1 1 56 56 CYS CA C 56 63.037 63.037 59.751 3.286 18269
5489 1 12 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.093 16.812 18269
5490 1 12 . 1 1 56 56 CYS H H 56 7.752 7.752 7.986 -0.234 18269
5491 1 12 . 1 1 57 57 TYR N N 57 121.810 121.810 121.011 0.799 18269
5492 1 12 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.337 -0.194 18269
5493 1 12 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.805 0.510 18269
5494 1 12 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.825 -0.771 18269
5495 1 12 . 1 1 57 57 TYR H H 57 7.911 7.911 7.693 0.218 18269
5496 1 12 . 1 1 58 58 TYR N N 58 121.916 121.916 115.336 6.580 18269
5497 1 12 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.383 -0.008 18269
5498 1 12 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.803 -0.794 18269
5499 1 12 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.340 -0.316 18269
5500 1 12 . 1 1 58 58 TYR H H 58 8.334 8.334 7.304 1.030 18269
5501 1 12 . 1 1 59 59 LEU N N 59 114.461 114.461 116.767 -2.306 18269
5502 1 12 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.210 -0.090 18269
5503 1 12 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.123 0.106 18269
5504 1 12 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.045 0.000 18269
5505 1 12 . 1 1 59 59 LEU H H 59 8.079 8.079 7.941 0.138 18269
5506 1 12 . 1 1 60 60 GLY N N 60 102.559 102.559 105.950 -3.391 18269
5507 1 12 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.489 0.083 18269
5508 1 12 . 1 1 60 60 GLY H H 60 7.562 7.562 8.118 -0.556 18269
5509 1 12 . 1 1 61 61 ALA N N 61 120.327 120.327 126.026 -5.699 18269
5510 1 12 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.366 0.035 18269
5511 1 12 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.512 -0.247 18269
5512 1 12 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.052 2.285 18269
5513 1 12 . 1 1 61 61 ALA H H 61 7.995 7.995 7.689 0.306 18269
5514 1 12 . 1 1 62 62 THR N N 62 106.895 106.895 110.434 -3.539 18269
5515 1 12 . 1 1 62 62 THR HA H 62 4.518 4.518 4.482 0.036 18269
5516 1 12 . 1 1 62 62 THR CA C 62 59.982 59.982 61.050 -1.068 18269
5517 1 12 . 1 1 62 62 THR CB C 62 70.540 70.540 71.540 -1.000 18269
5518 1 12 . 1 1 62 62 THR H H 62 7.156 7.156 7.693 -0.537 18269
5519 1 12 . 1 1 63 63 LYS N N 63 121.251 121.251 124.493 -3.242 18269
5520 1 12 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.165 -0.068 18269
5521 1 12 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.713 -0.441 18269
5522 1 12 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.269 -0.114 18269
5523 1 12 . 1 1 63 63 LYS H H 63 8.626 8.626 8.610 0.016 18269
5524 1 12 . 1 1 64 64 ASP N N 64 116.607 116.607 115.820 0.787 18269
5525 1 12 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.684 -0.127 18269
5526 1 12 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.612 -0.710 18269
5527 1 12 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.568 -1.462 18269
5528 1 12 . 1 1 64 64 ASP H H 64 8.441 8.441 8.035 0.406 18269
5529 1 12 . 1 1 65 65 ALA N N 65 122.486 122.486 121.722 0.764 18269
5530 1 12 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.577 -0.492 18269
5531 1 12 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.075 1.474 18269
5532 1 12 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.699 -1.142 18269
5533 1 12 . 1 1 65 65 ALA H H 65 7.368 7.368 7.305 0.063 18269
5534 1 12 . 1 1 66 66 ALA N N 66 124.171 124.171 121.299 2.872 18269
5535 1 12 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.432 0.012 18269
5536 1 12 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.958 0.513 18269
5537 1 12 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.327 -0.062 18269
5538 1 12 . 1 1 66 66 ALA H H 66 8.300 8.300 8.527 -0.227 18269
5539 1 12 . 1 1 67 67 THR N N 67 111.638 111.638 115.988 -4.350 18269
5540 1 12 . 1 1 67 67 THR HA H 67 4.496 4.496 4.240 0.256 18269
5541 1 12 . 1 1 67 67 THR CA C 67 60.881 60.881 63.713 -2.832 18269
5542 1 12 . 1 1 67 67 THR CB C 67 70.199 70.199 69.156 1.042 18269
5543 1 12 . 1 1 67 67 THR H H 67 7.730 7.730 8.565 -0.835 18269
5544 1 12 . 1 1 68 68 LYS N N 68 121.732 121.732 121.269 0.463 18269
5545 1 12 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.210 0.326 18269
5546 1 12 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.695 -2.133 18269
5547 1 12 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.413 0.685 18269
5548 1 12 . 1 1 68 68 LYS H H 68 8.502 8.502 8.151 0.351 18269
5549 1 12 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.988 0.351 18269
5550 1 12 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.691 -0.985 18269
5551 1 12 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.005 -0.205 18269
5552 1 12 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.126 0.005 18269
5553 1 12 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.437 1.179 18269
5554 1 12 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.562 0.176 18269
5555 1 12 . 1 1 71 71 SER HA H 71 4.817 4.817 4.340 0.477 18269
5556 1 12 . 1 1 71 71 SER CA C 71 60.667 60.667 60.531 0.136 18269
5557 1 12 . 1 1 71 71 SER CB C 71 62.646 62.646 62.898 -0.252 18269
5558 1 12 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.254 0.010 18269
5559 1 12 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.778 -2.149 18269
5560 1 12 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.603 -1.356 18269
5561 1 12 . 1 1 73 73 VAL N N 73 114.786 114.786 119.644 -4.858 18269
5562 1 12 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.785 0.317 18269
5563 1 12 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.077 -2.336 18269
5564 1 12 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.796 2.469 18269
5565 1 12 . 1 1 73 73 VAL H H 73 7.812 7.812 8.008 -0.196 18269
5566 1 12 . 1 1 74 74 THR HA H 74 3.767 3.767 4.022 -0.255 18269
5567 1 12 . 1 1 74 74 THR CA C 74 65.584 65.584 65.889 -0.305 18269
5568 1 12 . 1 1 74 74 THR CB C 74 67.470 67.470 68.375 -0.905 18269
5569 1 12 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.301 -0.055 18269
5570 1 12 . 1 1 75 75 ARG CA C 75 61.383 61.383 61.146 0.237 18269
5571 1 12 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.238 0.382 18269
5572 1 12 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.369 0.116 18269
5573 1 12 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.169 0.527 18269
5574 1 12 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.348 -0.453 18269
5575 1 12 . 1 1 77 77 MET N N 77 117.583 117.583 114.237 3.346 18269
5576 1 12 . 1 1 77 77 MET HA H 77 4.684 4.684 4.225 0.459 18269
5577 1 12 . 1 1 77 77 MET CA C 77 59.347 59.347 55.809 3.538 18269
5578 1 12 . 1 1 77 77 MET CB C 77 32.996 32.996 31.259 1.737 18269
5579 1 12 . 1 1 77 77 MET H H 77 7.685 7.685 7.770 -0.085 18269
5580 1 12 . 1 1 78 78 SER N N 78 114.578 114.578 114.536 0.042 18269
5581 1 12 . 1 1 78 78 SER HA H 78 4.226 4.226 4.343 -0.117 18269
5582 1 12 . 1 1 78 78 SER CA C 78 61.922 61.922 59.997 1.925 18269
5583 1 12 . 1 1 78 78 SER CB C 78 62.406 62.406 64.546 -2.139 18269
5584 1 12 . 1 1 78 78 SER H H 78 8.285 8.285 7.926 0.359 18269
5585 1 12 . 1 1 79 79 VAL N N 79 111.248 111.248 121.204 -9.956 18269
5586 1 12 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.266 0.485 18269
5587 1 12 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.086 0.040 18269
5588 1 12 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.326 -3.980 18269
5589 1 12 . 1 1 79 79 VAL H H 79 7.004 7.004 7.413 -0.409 18269
5590 1 12 . 1 1 80 80 HIS N N 80 116.703 116.703 127.590 -10.887 18269
5591 1 12 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.984 -0.868 18269
5592 1 12 . 1 1 80 80 HIS CA C 80 56.826 56.826 58.229 -1.403 18269
5593 1 12 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.134 -3.244 18269
5594 1 12 . 1 1 80 80 HIS H H 80 8.289 8.289 8.724 -0.435 18269
5595 1 12 . 1 1 81 81 MET N N 81 120.978 120.978 124.931 -3.953 18269
5596 1 12 . 1 1 81 81 MET HA H 81 4.512 4.512 4.886 -0.374 18269
5597 1 12 . 1 1 81 81 MET CA C 81 55.007 55.007 52.868 2.139 18269
5598 1 12 . 1 1 81 81 MET CB C 81 33.265 33.265 34.604 -1.339 18269
5599 1 12 . 1 1 81 81 MET H H 81 8.006 8.006 8.751 -0.745 18269
5600 1 12 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.190 0.151 18269
5601 1 12 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.734 -1.498 18269
5602 1 12 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.745 1.918 18269
5603 1 12 . 1 1 83 83 ALA N N 83 126.545 126.545 121.136 5.409 18269
5604 1 12 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.860 0.086 18269
5605 1 12 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.056 0.917 18269
5606 1 12 . 1 1 83 83 ALA CB C 83 19.475 19.475 17.994 1.481 18269
5607 1 12 . 1 1 83 83 ALA H H 83 9.196 9.196 8.153 1.043 18269
5608 1 12 . 1 1 84 84 MET N N 84 114.734 114.734 115.694 -0.960 18269
5609 1 12 . 1 1 84 84 MET HA H 84 4.024 4.024 4.602 -0.578 18269
5610 1 12 . 1 1 84 84 MET CA C 84 58.812 58.812 58.152 0.660 18269
5611 1 12 . 1 1 84 84 MET CB C 84 32.242 32.242 32.145 0.097 18269
5612 1 12 . 1 1 84 84 MET H H 84 9.289 9.289 8.209 1.080 18269
5613 1 12 . 1 1 85 85 LYS N N 85 116.490 116.490 120.011 -3.521 18269
5614 1 12 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.545 -0.371 18269
5615 1 12 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.202 -0.086 18269
5616 1 12 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.467 -0.674 18269
5617 1 12 . 1 1 85 85 LYS H H 85 6.997 6.997 8.453 -1.456 18269
5618 1 12 . 1 1 86 86 ILE N N 86 120.561 120.561 121.498 -0.937 18269
5619 1 12 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.662 -0.047 18269
5620 1 12 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.133 1.145 18269
5621 1 12 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.563 -0.043 18269
5622 1 12 . 1 1 86 86 ILE H H 86 7.875 7.875 8.058 -0.183 18269
5623 1 12 . 1 1 87 87 CYS N N 87 117.323 117.323 120.286 -2.963 18269
5624 1 12 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.040 0.036 18269
5625 1 12 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.570 -1.510 18269
5626 1 12 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.889 16.844 18269
5627 1 12 . 1 1 87 87 CYS H H 87 8.643 8.643 7.939 0.704 18269
5628 1 12 . 1 1 88 88 GLU N N 88 118.070 118.070 119.728 -1.658 18269
5629 1 12 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.966 -0.018 18269
5630 1 12 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.449 0.314 18269
5631 1 12 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.381 0.383 18269
5632 1 12 . 1 1 88 88 GLU H H 88 8.045 8.045 7.786 0.259 18269
5633 1 12 . 1 1 89 89 LYS N N 89 119.719 119.719 119.594 0.125 18269
5634 1 12 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.053 0.085 18269
5635 1 12 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.107 0.023 18269
5636 1 12 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.360 -0.657 18269
5637 1 12 . 1 1 89 89 LYS H H 89 7.530 7.530 7.977 -0.447 18269
5638 1 12 . 1 1 90 90 LEU N N 90 119.550 119.550 120.384 -0.834 18269
5639 1 12 . 1 1 90 90 LEU HA H 90 3.965 3.965 3.932 0.033 18269
5640 1 12 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.851 -0.508 18269
5641 1 12 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.645 -0.654 18269
5642 1 12 . 1 1 90 90 LEU H H 90 8.422 8.422 8.513 -0.091 18269
5643 1 12 . 1 1 91 91 LYS N N 91 119.180 119.180 117.313 1.867 18269
5644 1 12 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.339 -0.477 18269
5645 1 12 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.452 0.153 18269
5646 1 12 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.069 0.408 18269
5647 1 12 . 1 1 91 91 LYS H H 91 8.218 8.218 7.654 0.564 18269
5648 1 12 . 1 1 92 92 LYS N N 92 113.632 113.632 118.724 -5.092 18269
5649 1 12 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.173 -0.120 18269
5650 1 12 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.864 -0.305 18269
5651 1 12 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.354 -0.420 18269
5652 1 12 . 1 1 92 92 LYS H H 92 6.984 6.984 7.529 -0.545 18269
5653 1 12 . 1 1 93 93 LEU N N 93 119.104 119.104 118.728 0.376 18269
5654 1 12 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.309 -0.019 18269
5655 1 12 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.587 -0.483 18269
5656 1 12 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.167 -1.065 18269
5657 1 12 . 1 1 93 93 LEU H H 93 7.456 7.456 7.541 -0.085 18269
5658 1 12 . 1 1 94 94 ASP N N 94 116.790 116.790 117.645 -0.855 18269
5659 1 12 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.707 -0.151 18269
5660 1 12 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.341 1.025 18269
5661 1 12 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.033 -1.860 18269
5662 1 12 . 1 1 94 94 ASP H H 94 7.911 7.911 8.244 -0.333 18269
5663 1 12 . 1 1 95 95 SER N N 95 122.399 122.399 121.012 1.387 18269
5664 1 12 . 1 1 95 95 SER HA H 95 4.186 4.186 4.302 -0.116 18269
5665 1 12 . 1 1 95 95 SER CA C 95 61.472 61.472 60.143 1.329 18269
5666 1 12 . 1 1 95 95 SER CB C 95 62.568 62.568 62.975 -0.407 18269
5667 1 12 . 1 1 95 95 SER H H 95 8.894 8.894 8.747 0.147 18269
5668 1 12 . 1 1 96 96 GLN N N 96 120.800 120.800 121.690 -0.890 18269
5669 1 12 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.947 -0.085 18269
5670 1 12 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.297 -0.145 18269
5671 1 12 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.243 0.174 18269
5672 1 12 . 1 1 96 96 GLN H H 96 8.610 8.610 8.192 0.418 18269
5673 1 12 . 1 1 97 97 ILE N N 97 117.387 117.387 118.518 -1.131 18269
5674 1 12 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.512 -0.113 18269
5675 1 12 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.905 0.926 18269
5676 1 12 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.796 0.478 18269
5677 1 12 . 1 1 97 97 ILE H H 97 7.470 7.470 7.505 -0.035 18269
5678 1 12 . 1 1 98 98 CYS N N 98 113.485 113.485 115.691 -2.206 18269
5679 1 12 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.372 0.699 18269
5680 1 12 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.351 2.622 18269
5681 1 12 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.126 21.460 18269
5682 1 12 . 1 1 98 98 CYS H H 98 7.410 7.410 7.710 -0.300 18269
5683 1 12 . 1 1 99 99 GLU N N 99 119.123 119.123 119.017 0.106 18269
5684 1 12 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.352 -0.029 18269
5685 1 12 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.206 0.520 18269
5686 1 12 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.085 1.894 18269
5687 1 12 . 1 1 99 99 GLU H H 99 7.308 7.308 7.730 -0.422 18269
5688 1 12 . 1 1 100 100 LEU N N 100 115.771 115.771 120.582 -4.811 18269
5689 1 12 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.118 0.179 18269
5690 1 12 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.741 -1.059 18269
5691 1 12 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.518 0.443 18269
5692 1 12 . 1 1 100 100 LEU H H 100 6.496 6.496 7.452 -0.956 18269
5693 1 12 . 1 1 101 101 LYS N N 101 125.672 125.672 111.712 13.960 18269
5694 1 12 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.010 0.584 18269
5695 1 12 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.696 -1.346 18269
5696 1 12 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.744 3.979 18269
5697 1 12 . 1 1 101 101 LYS H H 101 8.575 8.575 7.818 0.757 18269
5698 1 12 . 1 1 102 102 TYR N N 102 120.395 120.395 122.281 -1.886 18269
5699 1 12 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.329 0.053 18269
5700 1 12 . 1 1 102 102 TYR CA C 102 60.024 60.024 56.769 3.255 18269
5701 1 12 . 1 1 102 102 TYR CB C 102 38.328 38.328 37.390 0.938 18269
5702 1 12 . 1 1 102 102 TYR H H 102 8.756 8.756 8.675 0.081 18269
5703 1 12 . 1 1 103 103 GLU N N 103 121.550 121.550 121.969 -0.419 18269
5704 1 12 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.096 0.295 18269
5705 1 12 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.242 -0.915 18269
5706 1 12 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.066 2.236 18269
5707 1 12 . 1 1 103 103 GLU H H 103 8.835 8.835 8.190 0.645 18269
5708 1 12 . 1 1 104 104 LYS N N 104 122.957 122.957 122.546 0.411 18269
5709 1 12 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.356 0.105 18269
5710 1 12 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.380 -0.106 18269
5711 1 12 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.078 1.969 18269
5712 1 12 . 1 1 104 104 LYS H H 104 8.490 8.490 8.563 -0.073 18269
5713 1 13 . 1 1 2 2 GLU N N 2 121.590 121.590 122.470 -0.880 18269
5714 1 13 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.005 0.289 18269
5715 1 13 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.923 -0.406 18269
5716 1 13 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.414 0.737 18269
5717 1 13 . 1 1 2 2 GLU H H 2 8.621 8.621 8.788 -0.167 18269
5718 1 13 . 1 1 3 3 ALA N N 3 125.815 125.815 125.594 0.221 18269
5719 1 13 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.374 -0.008 18269
5720 1 13 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.415 0.242 18269
5721 1 13 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.799 0.148 18269
5722 1 13 . 1 1 3 3 ALA H H 3 8.598 8.598 8.049 0.549 18269
5723 1 13 . 1 1 4 4 GLY N N 4 108.386 108.386 112.436 -4.050 18269
5724 1 13 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.982 0.155 18269
5725 1 13 . 1 1 4 4 GLY H H 4 8.487 8.487 8.645 -0.158 18269
5726 1 13 . 1 1 5 5 GLY N N 5 108.367 108.367 108.239 0.128 18269
5727 1 13 . 1 1 5 5 GLY CA C 5 44.754 44.754 45.046 -0.292 18269
5728 1 13 . 1 1 5 5 GLY H H 5 8.274 8.274 7.755 0.519 18269
5729 1 13 . 1 1 6 6 ARG N N 6 121.577 121.577 121.920 -0.343 18269
5730 1 13 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.821 -0.146 18269
5731 1 13 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.353 0.527 18269
5732 1 13 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.285 0.850 18269
5733 1 13 . 1 1 6 6 ARG H H 6 8.297 8.297 8.398 -0.101 18269
5734 1 13 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.719 -0.228 18269
5735 1 13 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.994 1.359 18269
5736 1 13 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.863 1.184 18269
5737 1 13 . 1 1 8 8 GLY N N 8 109.658 109.658 107.588 2.070 18269
5738 1 13 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.808 -0.720 18269
5739 1 13 . 1 1 8 8 GLY H H 8 8.660 8.660 7.904 0.756 18269
5740 1 13 . 1 1 9 9 ALA N N 9 123.995 123.995 120.404 3.591 18269
5741 1 13 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.359 0.081 18269
5742 1 13 . 1 1 9 9 ALA CA C 9 51.797 51.797 51.918 -0.121 18269
5743 1 13 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.611 -0.332 18269
5744 1 13 . 1 1 9 9 ALA H H 9 8.200 8.200 7.619 0.581 18269
5745 1 13 . 1 1 10 10 ASP N N 10 119.834 119.834 116.994 2.840 18269
5746 1 13 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.876 -0.219 18269
5747 1 13 . 1 1 10 10 ASP CA C 10 54.540 54.540 53.777 0.763 18269
5748 1 13 . 1 1 10 10 ASP CB C 10 41.506 41.506 43.410 -1.904 18269
5749 1 13 . 1 1 10 10 ASP H H 10 8.290 8.290 8.183 0.107 18269
5750 1 13 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.061 0.569 18269
5751 1 13 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.981 -6.223 18269
5752 1 13 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.201 13.259 18269
5753 1 13 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.291 -0.327 18269
5754 1 13 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.314 4.063 18269
5755 1 13 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.109 1.146 18269
5756 1 13 . 1 1 13 13 VAL N N 13 117.224 117.224 120.667 -3.443 18269
5757 1 13 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.857 -0.111 18269
5758 1 13 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.030 -1.984 18269
5759 1 13 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.302 -0.084 18269
5760 1 13 . 1 1 13 13 VAL H H 13 7.040 7.040 7.970 -0.930 18269
5761 1 13 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.287 -0.202 18269
5762 1 13 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.590 -0.145 18269
5763 1 13 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.489 14.729 18269
5764 1 13 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.048 0.011 18269
5765 1 13 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.479 -1.908 18269
5766 1 13 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.710 0.540 18269
5767 1 13 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.146 0.185 18269
5768 1 13 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.338 -0.164 18269
5769 1 13 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.345 0.061 18269
5770 1 13 . 1 1 16 16 GLU H H 16 8.098 8.098 8.564 -0.466 18269
5771 1 13 . 1 1 17 17 PHE N N 17 120.745 120.745 121.588 -0.843 18269
5772 1 13 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.332 -0.017 18269
5773 1 13 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.070 0.444 18269
5774 1 13 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.272 1.241 18269
5775 1 13 . 1 1 17 17 PHE H H 17 9.126 9.126 8.010 1.116 18269
5776 1 13 . 1 1 18 18 LEU N N 18 115.787 115.787 118.830 -3.043 18269
5777 1 13 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.929 0.214 18269
5778 1 13 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.408 -0.531 18269
5779 1 13 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.356 -0.404 18269
5780 1 13 . 1 1 18 18 LEU H H 18 8.505 8.505 8.907 -0.402 18269
5781 1 13 . 1 1 19 19 ASN N N 19 117.635 117.635 117.194 0.441 18269
5782 1 13 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.349 0.527 18269
5783 1 13 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.786 -0.312 18269
5784 1 13 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.760 -0.432 18269
5785 1 13 . 1 1 19 19 ASN H H 19 8.405 8.405 8.038 0.367 18269
5786 1 13 . 1 1 20 20 ARG N N 20 122.851 122.851 119.433 3.418 18269
5787 1 13 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.019 0.098 18269
5788 1 13 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.435 0.854 18269
5789 1 13 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.264 0.191 18269
5790 1 13 . 1 1 20 20 ARG H H 20 8.325 8.325 7.772 0.553 18269
5791 1 13 . 1 1 21 21 PHE N N 21 121.774 121.774 120.702 1.072 18269
5792 1 13 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.194 0.086 18269
5793 1 13 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.612 -1.601 18269
5794 1 13 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.387 -0.376 18269
5795 1 13 . 1 1 21 21 PHE H H 21 8.438 8.438 8.292 0.146 18269
5796 1 13 . 1 1 22 22 TYR N N 22 119.937 119.937 120.874 -0.937 18269
5797 1 13 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.839 -0.050 18269
5798 1 13 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.776 -0.124 18269
5799 1 13 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.561 -0.287 18269
5800 1 13 . 1 1 22 22 TYR H H 22 8.708 8.708 8.726 -0.018 18269
5801 1 13 . 1 1 23 23 LYS N N 23 116.431 116.431 116.672 -0.241 18269
5802 1 13 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.842 0.017 18269
5803 1 13 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.464 0.679 18269
5804 1 13 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.640 0.577 18269
5805 1 13 . 1 1 23 23 LYS H H 23 7.928 7.928 7.831 0.097 18269
5806 1 13 . 1 1 24 24 SER N N 24 113.888 113.888 116.943 -3.055 18269
5807 1 13 . 1 1 24 24 SER HA H 24 4.325 4.325 4.436 -0.111 18269
5808 1 13 . 1 1 24 24 SER CA C 24 61.016 61.016 61.043 -0.027 18269
5809 1 13 . 1 1 24 24 SER CB C 24 62.837 62.837 62.698 0.139 18269
5810 1 13 . 1 1 24 24 SER H H 24 7.665 7.665 7.603 0.062 18269
5811 1 13 . 1 1 25 25 LEU N N 25 119.663 119.663 121.149 -1.486 18269
5812 1 13 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.951 -0.272 18269
5813 1 13 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.776 -0.271 18269
5814 1 13 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.350 0.552 18269
5815 1 13 . 1 1 25 25 LEU H H 25 7.573 7.573 7.619 -0.046 18269
5816 1 13 . 1 1 26 26 ILE N N 26 119.781 119.781 117.556 2.225 18269
5817 1 13 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.708 0.148 18269
5818 1 13 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.693 0.856 18269
5819 1 13 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.730 0.575 18269
5820 1 13 . 1 1 26 26 ILE H H 26 8.094 8.094 6.915 1.179 18269
5821 1 13 . 1 1 27 27 ASP N N 27 122.421 122.421 119.598 2.823 18269
5822 1 13 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.397 -0.021 18269
5823 1 13 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.529 0.491 18269
5824 1 13 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.839 -0.759 18269
5825 1 13 . 1 1 27 27 ASP H H 27 9.091 9.091 8.135 0.956 18269
5826 1 13 . 1 1 28 28 ARG N N 28 115.349 115.349 117.356 -2.007 18269
5827 1 13 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.193 0.112 18269
5828 1 13 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.517 -0.019 18269
5829 1 13 . 1 1 28 28 ARG CB C 28 31.613 31.613 31.013 0.600 18269
5830 1 13 . 1 1 28 28 ARG H H 28 7.587 7.587 8.172 -0.585 18269
5831 1 13 . 1 1 29 29 GLY N N 29 109.999 109.999 108.905 1.094 18269
5832 1 13 . 1 1 29 29 GLY CA C 29 46.661 46.661 46.091 0.570 18269
5833 1 13 . 1 1 29 29 GLY H H 29 7.909 7.909 7.929 -0.020 18269
5834 1 13 . 1 1 30 30 VAL N N 30 118.740 118.740 113.188 5.552 18269
5835 1 13 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.255 -0.496 18269
5836 1 13 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.161 1.309 18269
5837 1 13 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.959 0.367 18269
5838 1 13 . 1 1 30 30 VAL H H 30 7.701 7.701 7.357 0.344 18269
5839 1 13 . 1 1 31 31 ASN N N 31 123.250 123.250 118.677 4.573 18269
5840 1 13 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.626 0.087 18269
5841 1 13 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.988 -0.500 18269
5842 1 13 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.159 0.052 18269
5843 1 13 . 1 1 31 31 ASN H H 31 8.498 8.498 7.698 0.800 18269
5844 1 13 . 1 1 32 32 PHE N N 32 126.076 126.076 113.336 12.740 18269
5845 1 13 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.097 0.041 18269
5846 1 13 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.683 -2.036 18269
5847 1 13 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.961 -1.182 18269
5848 1 13 . 1 1 32 32 PHE H H 32 8.783 8.783 8.119 0.664 18269
5849 1 13 . 1 1 33 33 SER N N 33 115.958 115.958 117.537 -1.579 18269
5850 1 13 . 1 1 33 33 SER HA H 33 4.736 4.736 4.644 0.092 18269
5851 1 13 . 1 1 33 33 SER CA C 33 56.745 56.745 57.706 -0.961 18269
5852 1 13 . 1 1 33 33 SER CB C 33 64.899 64.899 63.314 1.585 18269
5853 1 13 . 1 1 33 33 SER H H 33 7.699 7.699 8.024 -0.325 18269
5854 1 13 . 1 1 34 34 LEU N N 34 124.359 124.359 127.056 -2.697 18269
5855 1 13 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.061 -0.208 18269
5856 1 13 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.394 1.277 18269
5857 1 13 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.692 -0.146 18269
5858 1 13 . 1 1 34 34 LEU H H 34 8.935 8.935 8.461 0.474 18269
5859 1 13 . 1 1 35 35 ASP N N 35 115.345 115.345 117.720 -2.375 18269
5860 1 13 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.409 -0.031 18269
5861 1 13 . 1 1 35 35 ASP CA C 35 56.858 56.858 58.280 -1.422 18269
5862 1 13 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.148 0.012 18269
5863 1 13 . 1 1 35 35 ASP H H 35 8.575 8.575 8.659 -0.084 18269
5864 1 13 . 1 1 36 36 THR N N 36 116.789 116.789 116.745 0.044 18269
5865 1 13 . 1 1 36 36 THR HA H 36 4.015 4.015 4.073 -0.058 18269
5866 1 13 . 1 1 36 36 THR CA C 36 66.069 66.069 66.854 -0.785 18269
5867 1 13 . 1 1 36 36 THR CB C 36 68.780 68.780 68.895 -0.115 18269
5868 1 13 . 1 1 36 36 THR H H 36 7.593 7.593 7.238 0.355 18269
5869 1 13 . 1 1 37 37 ILE N N 37 120.685 120.685 121.229 -0.544 18269
5870 1 13 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.682 -0.313 18269
5871 1 13 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.536 0.264 18269
5872 1 13 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.303 -0.212 18269
5873 1 13 . 1 1 37 37 ILE H H 37 8.436 8.436 8.501 -0.065 18269
5874 1 13 . 1 1 38 38 GLU N N 38 118.792 118.792 120.708 -1.916 18269
5875 1 13 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.986 -0.308 18269
5876 1 13 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.777 1.283 18269
5877 1 13 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.579 0.292 18269
5878 1 13 . 1 1 38 38 GLU H H 38 8.122 8.122 8.116 0.006 18269
5879 1 13 . 1 1 39 39 LYS N N 39 116.986 116.986 119.980 -2.994 18269
5880 1 13 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.064 -0.103 18269
5881 1 13 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.239 0.507 18269
5882 1 13 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.115 0.195 18269
5883 1 13 . 1 1 39 39 LYS H H 39 7.586 7.586 7.905 -0.319 18269
5884 1 13 . 1 1 40 40 GLU N N 40 117.892 117.892 119.761 -1.869 18269
5885 1 13 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.257 -0.052 18269
5886 1 13 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.915 -0.556 18269
5887 1 13 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.362 -0.783 18269
5888 1 13 . 1 1 40 40 GLU H H 40 8.690 8.690 8.415 0.275 18269
5889 1 13 . 1 1 41 41 LEU N N 41 125.830 125.830 121.349 4.481 18269
5890 1 13 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.787 -0.240 18269
5891 1 13 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.426 -0.598 18269
5892 1 13 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.798 -1.460 18269
5893 1 13 . 1 1 41 41 LEU H H 41 8.978 8.978 8.376 0.602 18269
5894 1 13 . 1 1 42 42 ILE N N 42 119.900 119.900 119.436 0.464 18269
5895 1 13 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.546 0.038 18269
5896 1 13 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.590 0.242 18269
5897 1 13 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.672 0.118 18269
5898 1 13 . 1 1 42 42 ILE H H 42 7.884 7.884 7.688 0.196 18269
5899 1 13 . 1 1 43 43 SER N N 43 114.071 114.071 115.874 -1.803 18269
5900 1 13 . 1 1 43 43 SER HA H 43 4.277 4.277 4.202 0.075 18269
5901 1 13 . 1 1 43 43 SER CA C 43 61.598 61.598 62.019 -0.421 18269
5902 1 13 . 1 1 43 43 SER CB C 43 62.767 62.767 62.936 -0.169 18269
5903 1 13 . 1 1 43 43 SER H H 43 7.791 7.791 8.473 -0.682 18269
5904 1 13 . 1 1 44 44 PHE N N 44 125.036 125.036 123.193 1.843 18269
5905 1 13 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.338 -0.009 18269
5906 1 13 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.247 -0.990 18269
5907 1 13 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.299 1.332 18269
5908 1 13 . 1 1 44 44 PHE H H 44 9.060 9.060 8.728 0.332 18269
5909 1 13 . 1 1 45 45 CYS N N 45 112.824 112.824 119.090 -6.266 18269
5910 1 13 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.496 0.110 18269
5911 1 13 . 1 1 45 45 CYS CA C 45 59.236 59.236 63.066 -3.830 18269
5912 1 13 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.933 16.690 18269
5913 1 13 . 1 1 45 45 CYS H H 45 8.254 8.254 8.607 -0.353 18269
5914 1 13 . 1 1 46 46 LEU N N 46 123.875 123.875 120.665 3.210 18269
5915 1 13 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.225 -0.050 18269
5916 1 13 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.697 0.454 18269
5917 1 13 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.635 0.617 18269
5918 1 13 . 1 1 46 46 LEU H H 46 7.776 7.776 7.812 -0.036 18269
5919 1 13 . 1 1 47 47 ASP N N 47 116.880 116.880 117.116 -0.236 18269
5920 1 13 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.446 0.464 18269
5921 1 13 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.985 -2.400 18269
5922 1 13 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.554 -1.179 18269
5923 1 13 . 1 1 47 47 ASP H H 47 7.852 7.852 8.538 -0.686 18269
5924 1 13 . 1 1 48 48 THR N N 48 108.053 108.053 113.954 -5.901 18269
5925 1 13 . 1 1 48 48 THR HA H 48 4.461 4.461 4.191 0.270 18269
5926 1 13 . 1 1 48 48 THR CA C 48 60.844 60.844 62.280 -1.436 18269
5927 1 13 . 1 1 48 48 THR CB C 48 73.395 73.395 69.975 3.420 18269
5928 1 13 . 1 1 48 48 THR H H 48 7.139 7.139 7.410 -0.271 18269
5929 1 13 . 1 1 49 49 LYS N N 49 118.308 118.308 119.315 -1.007 18269
5930 1 13 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.482 0.236 18269
5931 1 13 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.189 -1.145 18269
5932 1 13 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.907 2.663 18269
5933 1 13 . 1 1 49 49 LYS H H 49 8.755 8.755 8.907 -0.152 18269
5934 1 13 . 1 1 50 50 GLY N N 50 108.996 108.996 109.756 -0.760 18269
5935 1 13 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.670 -0.827 18269
5936 1 13 . 1 1 50 50 GLY H H 50 8.866 8.866 8.664 0.202 18269
5937 1 13 . 1 1 51 51 LYS N N 51 126.155 126.155 121.877 4.278 18269
5938 1 13 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.033 -0.063 18269
5939 1 13 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.991 -0.881 18269
5940 1 13 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.029 0.590 18269
5941 1 13 . 1 1 51 51 LYS H H 51 9.254 9.254 8.590 0.664 18269
5942 1 13 . 1 1 52 52 GLU N N 52 116.496 116.496 118.923 -2.427 18269
5943 1 13 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.103 -0.580 18269
5944 1 13 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.566 -0.176 18269
5945 1 13 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.212 -0.525 18269
5946 1 13 . 1 1 52 52 GLU H H 52 8.223 8.223 7.989 0.234 18269
5947 1 13 . 1 1 53 53 ASN N N 53 119.000 119.000 119.169 -0.169 18269
5948 1 13 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.760 -0.376 18269
5949 1 13 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.748 1.230 18269
5950 1 13 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.693 0.753 18269
5951 1 13 . 1 1 53 53 ASN H H 53 6.840 6.840 8.685 -1.845 18269
5952 1 13 . 1 1 54 54 ARG N N 54 118.480 118.480 119.315 -0.835 18269
5953 1 13 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.539 -0.770 18269
5954 1 13 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.801 -0.404 18269
5955 1 13 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.273 -1.533 18269
5956 1 13 . 1 1 54 54 ARG H H 54 7.456 7.456 8.056 -0.600 18269
5957 1 13 . 1 1 55 55 LEU N N 55 118.688 118.688 121.748 -3.060 18269
5958 1 13 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.205 -0.397 18269
5959 1 13 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.123 0.336 18269
5960 1 13 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.733 -1.613 18269
5961 1 13 . 1 1 55 55 LEU H H 55 7.843 7.843 8.361 -0.518 18269
5962 1 13 . 1 1 56 56 CYS N N 56 115.905 115.905 117.647 -1.742 18269
5963 1 13 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.922 -0.049 18269
5964 1 13 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.631 2.406 18269
5965 1 13 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.434 17.471 18269
5966 1 13 . 1 1 56 56 CYS H H 56 7.752 7.752 7.823 -0.071 18269
5967 1 13 . 1 1 57 57 TYR N N 57 121.810 121.810 118.796 3.014 18269
5968 1 13 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.102 0.041 18269
5969 1 13 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.343 -0.028 18269
5970 1 13 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.654 -0.600 18269
5971 1 13 . 1 1 57 57 TYR H H 57 7.911 7.911 8.161 -0.250 18269
5972 1 13 . 1 1 58 58 TYR N N 58 121.916 121.916 117.586 4.330 18269
5973 1 13 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.202 0.173 18269
5974 1 13 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.979 -1.970 18269
5975 1 13 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.297 -0.273 18269
5976 1 13 . 1 1 58 58 TYR H H 58 8.334 8.334 7.661 0.673 18269
5977 1 13 . 1 1 59 59 LEU N N 59 114.461 114.461 115.803 -1.342 18269
5978 1 13 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.952 0.168 18269
5979 1 13 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.152 -0.923 18269
5980 1 13 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.983 0.062 18269
5981 1 13 . 1 1 59 59 LEU H H 59 8.079 8.079 7.850 0.229 18269
5982 1 13 . 1 1 60 60 GLY N N 60 102.559 102.559 103.947 -1.388 18269
5983 1 13 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.498 0.074 18269
5984 1 13 . 1 1 60 60 GLY H H 60 7.562 7.562 7.970 -0.408 18269
5985 1 13 . 1 1 61 61 ALA N N 61 120.327 120.327 123.297 -2.970 18269
5986 1 13 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.124 0.277 18269
5987 1 13 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.756 -1.491 18269
5988 1 13 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.979 1.358 18269
5989 1 13 . 1 1 61 61 ALA H H 61 7.995 7.995 7.626 0.369 18269
5990 1 13 . 1 1 62 62 THR N N 62 106.895 106.895 115.042 -8.147 18269
5991 1 13 . 1 1 62 62 THR HA H 62 4.518 4.518 4.129 0.389 18269
5992 1 13 . 1 1 62 62 THR CA C 62 59.982 59.982 62.163 -2.181 18269
5993 1 13 . 1 1 62 62 THR CB C 62 70.540 70.540 68.994 1.546 18269
5994 1 13 . 1 1 62 62 THR H H 62 7.156 7.156 7.222 -0.066 18269
5995 1 13 . 1 1 63 63 LYS N N 63 121.251 121.251 127.399 -6.148 18269
5996 1 13 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.151 -0.054 18269
5997 1 13 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.406 0.866 18269
5998 1 13 . 1 1 63 63 LYS CB C 63 32.155 32.155 30.671 1.484 18269
5999 1 13 . 1 1 63 63 LYS H H 63 8.626 8.626 8.688 -0.062 18269
6000 1 13 . 1 1 64 64 ASP N N 64 116.607 116.607 119.333 -2.726 18269
6001 1 13 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.732 -0.175 18269
6002 1 13 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.150 -0.248 18269
6003 1 13 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.633 -2.527 18269
6004 1 13 . 1 1 64 64 ASP H H 64 8.441 8.441 8.277 0.164 18269
6005 1 13 . 1 1 65 65 ALA N N 65 122.486 122.486 123.873 -1.387 18269
6006 1 13 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.486 -0.401 18269
6007 1 13 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.482 1.067 18269
6008 1 13 . 1 1 65 65 ALA CB C 65 19.557 19.557 19.970 -0.413 18269
6009 1 13 . 1 1 65 65 ALA H H 65 7.368 7.368 7.480 -0.112 18269
6010 1 13 . 1 1 66 66 ALA N N 66 124.171 124.171 120.674 3.497 18269
6011 1 13 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.245 0.199 18269
6012 1 13 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.126 0.345 18269
6013 1 13 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.332 -0.067 18269
6014 1 13 . 1 1 66 66 ALA H H 66 8.300 8.300 8.338 -0.038 18269
6015 1 13 . 1 1 67 67 THR N N 67 111.638 111.638 113.841 -2.203 18269
6016 1 13 . 1 1 67 67 THR HA H 67 4.496 4.496 4.183 0.313 18269
6017 1 13 . 1 1 67 67 THR CA C 67 60.881 60.881 64.103 -3.222 18269
6018 1 13 . 1 1 67 67 THR CB C 67 70.199 70.199 69.357 0.842 18269
6019 1 13 . 1 1 67 67 THR H H 67 7.730 7.730 8.167 -0.437 18269
6020 1 13 . 1 1 68 68 LYS N N 68 121.732 121.732 122.246 -0.514 18269
6021 1 13 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.107 0.429 18269
6022 1 13 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.045 -2.483 18269
6023 1 13 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.085 1.014 18269
6024 1 13 . 1 1 68 68 LYS H H 68 8.502 8.502 8.097 0.405 18269
6025 1 13 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.898 0.441 18269
6026 1 13 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.195 -1.489 18269
6027 1 13 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.839 -0.039 18269
6028 1 13 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.920 0.211 18269
6029 1 13 . 1 1 70 70 LEU CA C 70 58.616 58.616 59.197 -0.581 18269
6030 1 13 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.036 0.702 18269
6031 1 13 . 1 1 71 71 SER HA H 71 4.817 4.817 4.281 0.536 18269
6032 1 13 . 1 1 71 71 SER CA C 71 60.667 60.667 61.101 -0.434 18269
6033 1 13 . 1 1 71 71 SER CB C 71 62.646 62.646 62.732 -0.086 18269
6034 1 13 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.119 0.145 18269
6035 1 13 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.838 -2.209 18269
6036 1 13 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.294 -1.047 18269
6037 1 13 . 1 1 73 73 VAL N N 73 114.786 114.786 118.834 -4.048 18269
6038 1 13 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.969 0.133 18269
6039 1 13 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.511 -1.770 18269
6040 1 13 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.340 0.925 18269
6041 1 13 . 1 1 73 73 VAL H H 73 7.812 7.812 7.698 0.114 18269
6042 1 13 . 1 1 74 74 THR HA H 74 3.767 3.767 4.035 -0.268 18269
6043 1 13 . 1 1 74 74 THR CA C 74 65.584 65.584 66.483 -0.899 18269
6044 1 13 . 1 1 74 74 THR CB C 74 67.470 67.470 68.332 -0.862 18269
6045 1 13 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.173 0.073 18269
6046 1 13 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.997 0.386 18269
6047 1 13 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.299 0.321 18269
6048 1 13 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.338 0.147 18269
6049 1 13 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.393 0.304 18269
6050 1 13 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.363 -0.468 18269
6051 1 13 . 1 1 77 77 MET N N 77 117.583 117.583 116.015 1.568 18269
6052 1 13 . 1 1 77 77 MET HA H 77 4.684 4.684 4.333 0.351 18269
6053 1 13 . 1 1 77 77 MET CA C 77 59.347 59.347 56.856 2.491 18269
6054 1 13 . 1 1 77 77 MET CB C 77 32.996 32.996 30.966 2.030 18269
6055 1 13 . 1 1 77 77 MET H H 77 7.685 7.685 8.387 -0.702 18269
6056 1 13 . 1 1 78 78 SER N N 78 114.578 114.578 113.282 1.296 18269
6057 1 13 . 1 1 78 78 SER HA H 78 4.226 4.226 4.187 0.039 18269
6058 1 13 . 1 1 78 78 SER CA C 78 61.922 61.922 60.365 1.557 18269
6059 1 13 . 1 1 78 78 SER CB C 78 62.406 62.406 63.737 -1.331 18269
6060 1 13 . 1 1 78 78 SER H H 78 8.285 8.285 7.702 0.583 18269
6061 1 13 . 1 1 79 79 VAL N N 79 111.248 111.248 118.905 -7.657 18269
6062 1 13 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.163 0.588 18269
6063 1 13 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.530 -0.404 18269
6064 1 13 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.775 -4.429 18269
6065 1 13 . 1 1 79 79 VAL H H 79 7.004 7.004 7.466 -0.462 18269
6066 1 13 . 1 1 80 80 HIS N N 80 116.703 116.703 119.414 -2.711 18269
6067 1 13 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.675 -0.559 18269
6068 1 13 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.147 -0.321 18269
6069 1 13 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.107 -4.218 18269
6070 1 13 . 1 1 80 80 HIS H H 80 8.289 8.289 8.505 -0.216 18269
6071 1 13 . 1 1 81 81 MET N N 81 120.978 120.978 122.494 -1.516 18269
6072 1 13 . 1 1 81 81 MET HA H 81 4.512 4.512 4.823 -0.311 18269
6073 1 13 . 1 1 81 81 MET CA C 81 55.007 55.007 52.124 2.883 18269
6074 1 13 . 1 1 81 81 MET CB C 81 33.265 33.265 34.143 -0.878 18269
6075 1 13 . 1 1 81 81 MET H H 81 8.006 8.006 8.484 -0.478 18269
6076 1 13 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.223 0.118 18269
6077 1 13 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.553 -1.317 18269
6078 1 13 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.683 1.980 18269
6079 1 13 . 1 1 83 83 ALA N N 83 126.545 126.545 121.491 5.054 18269
6080 1 13 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.892 0.054 18269
6081 1 13 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.335 0.638 18269
6082 1 13 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.099 1.376 18269
6083 1 13 . 1 1 83 83 ALA H H 83 9.196 9.196 8.226 0.970 18269
6084 1 13 . 1 1 84 84 MET N N 84 114.734 114.734 114.918 -0.184 18269
6085 1 13 . 1 1 84 84 MET HA H 84 4.024 4.024 4.401 -0.377 18269
6086 1 13 . 1 1 84 84 MET CA C 84 58.812 58.812 57.427 1.385 18269
6087 1 13 . 1 1 84 84 MET CB C 84 32.242 32.242 31.180 1.062 18269
6088 1 13 . 1 1 84 84 MET H H 84 9.289 9.289 8.110 1.179 18269
6089 1 13 . 1 1 85 85 LYS N N 85 116.490 116.490 117.978 -1.488 18269
6090 1 13 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.684 -0.510 18269
6091 1 13 . 1 1 85 85 LYS CA C 85 58.116 58.116 57.505 0.611 18269
6092 1 13 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.747 -0.954 18269
6093 1 13 . 1 1 85 85 LYS H H 85 6.997 6.997 8.477 -1.480 18269
6094 1 13 . 1 1 86 86 ILE N N 86 120.561 120.561 121.601 -1.040 18269
6095 1 13 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.688 -0.073 18269
6096 1 13 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.188 1.090 18269
6097 1 13 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.894 -0.374 18269
6098 1 13 . 1 1 86 86 ILE H H 86 7.875 7.875 7.395 0.480 18269
6099 1 13 . 1 1 87 87 CYS N N 87 117.323 117.323 118.306 -0.983 18269
6100 1 13 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.145 -0.069 18269
6101 1 13 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.919 -0.859 18269
6102 1 13 . 1 1 87 87 CYS CB C 87 42.733 42.733 26.047 16.686 18269
6103 1 13 . 1 1 87 87 CYS H H 87 8.643 8.643 7.877 0.766 18269
6104 1 13 . 1 1 88 88 GLU N N 88 118.070 118.070 119.324 -1.254 18269
6105 1 13 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.040 -0.092 18269
6106 1 13 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.967 0.796 18269
6107 1 13 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.549 0.215 18269
6108 1 13 . 1 1 88 88 GLU H H 88 8.045 8.045 7.699 0.346 18269
6109 1 13 . 1 1 89 89 LYS N N 89 119.719 119.719 120.821 -1.102 18269
6110 1 13 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.104 0.034 18269
6111 1 13 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.038 0.092 18269
6112 1 13 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.434 -0.731 18269
6113 1 13 . 1 1 89 89 LYS H H 89 7.530 7.530 8.104 -0.574 18269
6114 1 13 . 1 1 90 90 LEU N N 90 119.550 119.550 119.211 0.339 18269
6115 1 13 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.113 -0.148 18269
6116 1 13 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.718 0.625 18269
6117 1 13 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.373 -0.382 18269
6118 1 13 . 1 1 90 90 LEU H H 90 8.422 8.422 8.263 0.159 18269
6119 1 13 . 1 1 91 91 LYS N N 91 119.180 119.180 119.039 0.141 18269
6120 1 13 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.341 -0.479 18269
6121 1 13 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.398 0.207 18269
6122 1 13 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.133 0.344 18269
6123 1 13 . 1 1 91 91 LYS H H 91 8.218 8.218 7.562 0.655 18269
6124 1 13 . 1 1 92 92 LYS N N 92 113.632 113.632 118.885 -5.253 18269
6125 1 13 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.130 -0.077 18269
6126 1 13 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.475 -0.917 18269
6127 1 13 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.201 -0.267 18269
6128 1 13 . 1 1 92 92 LYS H H 92 6.984 6.984 7.371 -0.387 18269
6129 1 13 . 1 1 93 93 LEU N N 93 119.104 119.104 119.376 -0.272 18269
6130 1 13 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.364 -0.074 18269
6131 1 13 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.666 -0.562 18269
6132 1 13 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.064 -0.962 18269
6133 1 13 . 1 1 93 93 LEU H H 93 7.456 7.456 7.493 -0.037 18269
6134 1 13 . 1 1 94 94 ASP N N 94 116.790 116.790 116.651 0.139 18269
6135 1 13 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.873 -0.317 18269
6136 1 13 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.508 0.858 18269
6137 1 13 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.535 -2.362 18269
6138 1 13 . 1 1 94 94 ASP H H 94 7.911 7.911 8.331 -0.420 18269
6139 1 13 . 1 1 95 95 SER N N 95 122.399 122.399 120.631 1.768 18269
6140 1 13 . 1 1 95 95 SER HA H 95 4.186 4.186 4.316 -0.130 18269
6141 1 13 . 1 1 95 95 SER CA C 95 61.472 61.472 60.933 0.539 18269
6142 1 13 . 1 1 95 95 SER CB C 95 62.568 62.568 63.530 -0.962 18269
6143 1 13 . 1 1 95 95 SER H H 95 8.894 8.894 8.880 0.014 18269
6144 1 13 . 1 1 96 96 GLN N N 96 120.800 120.800 121.178 -0.378 18269
6145 1 13 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.368 -0.506 18269
6146 1 13 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.011 1.140 18269
6147 1 13 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.621 -0.204 18269
6148 1 13 . 1 1 96 96 GLN H H 96 8.610 8.610 8.167 0.443 18269
6149 1 13 . 1 1 97 97 ILE N N 97 117.387 117.387 120.372 -2.985 18269
6150 1 13 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.429 -0.030 18269
6151 1 13 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.634 2.197 18269
6152 1 13 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.102 0.172 18269
6153 1 13 . 1 1 97 97 ILE H H 97 7.470 7.470 7.938 -0.468 18269
6154 1 13 . 1 1 98 98 CYS N N 98 113.485 113.485 113.796 -0.311 18269
6155 1 13 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.499 0.572 18269
6156 1 13 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.181 3.792 18269
6157 1 13 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.388 21.198 18269
6158 1 13 . 1 1 98 98 CYS H H 98 7.410 7.410 7.887 -0.477 18269
6159 1 13 . 1 1 99 99 GLU N N 99 119.123 119.123 122.576 -3.453 18269
6160 1 13 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.090 0.233 18269
6161 1 13 . 1 1 99 99 GLU CA C 99 56.726 56.726 58.592 -1.866 18269
6162 1 13 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.766 0.213 18269
6163 1 13 . 1 1 99 99 GLU H H 99 7.308 7.308 7.586 -0.278 18269
6164 1 13 . 1 1 100 100 LEU N N 100 115.771 115.771 116.079 -0.308 18269
6165 1 13 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.744 0.553 18269
6166 1 13 . 1 1 100 100 LEU CA C 100 55.682 55.682 57.483 -1.801 18269
6167 1 13 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.455 1.506 18269
6168 1 13 . 1 1 100 100 LEU H H 100 6.496 6.496 8.248 -1.752 18269
6169 1 13 . 1 1 101 101 LYS N N 101 125.672 125.672 115.811 9.861 18269
6170 1 13 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.080 0.514 18269
6171 1 13 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.198 -1.848 18269
6172 1 13 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.407 4.316 18269
6173 1 13 . 1 1 101 101 LYS H H 101 8.575 8.575 7.953 0.622 18269
6174 1 13 . 1 1 102 102 TYR N N 102 120.395 120.395 123.743 -3.348 18269
6175 1 13 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.262 0.120 18269
6176 1 13 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.541 1.483 18269
6177 1 13 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.736 -0.408 18269
6178 1 13 . 1 1 102 102 TYR H H 102 8.756 8.756 8.695 0.061 18269
6179 1 13 . 1 1 103 103 GLU N N 103 121.550 121.550 119.930 1.620 18269
6180 1 13 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.152 0.240 18269
6181 1 13 . 1 1 103 103 GLU CA C 103 56.327 56.327 58.180 -1.853 18269
6182 1 13 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.293 1.009 18269
6183 1 13 . 1 1 103 103 GLU H H 103 8.835 8.835 8.780 0.056 18269
6184 1 13 . 1 1 104 104 LYS N N 104 122.957 122.957 115.569 7.388 18269
6185 1 13 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.154 0.307 18269
6186 1 13 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.506 -1.232 18269
6187 1 13 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.221 0.826 18269
6188 1 13 . 1 1 104 104 LYS H H 104 8.490 8.490 8.419 0.071 18269
6189 1 14 . 1 1 2 2 GLU N N 2 121.590 121.590 121.908 -0.318 18269
6190 1 14 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.265 0.029 18269
6191 1 14 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.014 -0.497 18269
6192 1 14 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.523 0.628 18269
6193 1 14 . 1 1 2 2 GLU H H 2 8.621 8.621 8.786 -0.165 18269
6194 1 14 . 1 1 3 3 ALA N N 3 125.815 125.815 123.152 2.663 18269
6195 1 14 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.507 -0.141 18269
6196 1 14 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.419 0.238 18269
6197 1 14 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.447 -0.500 18269
6198 1 14 . 1 1 3 3 ALA H H 3 8.598 8.598 8.477 0.121 18269
6199 1 14 . 1 1 4 4 GLY N N 4 108.386 108.386 111.434 -3.048 18269
6200 1 14 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.036 -0.899 18269
6201 1 14 . 1 1 4 4 GLY H H 4 8.487 8.487 8.629 -0.142 18269
6202 1 14 . 1 1 5 5 GLY N N 5 108.367 108.367 110.069 -1.702 18269
6203 1 14 . 1 1 5 5 GLY CA C 5 44.754 44.754 43.984 0.770 18269
6204 1 14 . 1 1 5 5 GLY H H 5 8.274 8.274 8.052 0.223 18269
6205 1 14 . 1 1 6 6 ARG N N 6 121.577 121.577 117.590 3.987 18269
6206 1 14 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.171 0.504 18269
6207 1 14 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.573 -1.692 18269
6208 1 14 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.028 1.107 18269
6209 1 14 . 1 1 6 6 ARG H H 6 8.297 8.297 8.136 0.161 18269
6210 1 14 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.625 -0.134 18269
6211 1 14 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.303 1.050 18269
6212 1 14 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.494 1.553 18269
6213 1 14 . 1 1 8 8 GLY N N 8 109.658 109.658 107.876 1.782 18269
6214 1 14 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.118 -1.030 18269
6215 1 14 . 1 1 8 8 GLY H H 8 8.660 8.660 8.503 0.157 18269
6216 1 14 . 1 1 9 9 ALA N N 9 123.995 123.995 120.800 3.195 18269
6217 1 14 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.716 -0.276 18269
6218 1 14 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.097 -1.300 18269
6219 1 14 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.288 -0.009 18269
6220 1 14 . 1 1 9 9 ALA H H 9 8.200 8.200 7.637 0.563 18269
6221 1 14 . 1 1 10 10 ASP N N 10 119.834 119.834 116.730 3.104 18269
6222 1 14 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.708 -0.051 18269
6223 1 14 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.942 -0.402 18269
6224 1 14 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.646 -1.140 18269
6225 1 14 . 1 1 10 10 ASP H H 10 8.290 8.290 8.613 -0.323 18269
6226 1 14 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.478 0.152 18269
6227 1 14 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.933 -5.175 18269
6228 1 14 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.790 12.670 18269
6229 1 14 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.337 -0.373 18269
6230 1 14 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.232 4.145 18269
6231 1 14 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.349 0.906 18269
6232 1 14 . 1 1 13 13 VAL N N 13 117.224 117.224 120.847 -3.623 18269
6233 1 14 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.810 -0.064 18269
6234 1 14 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.073 -2.027 18269
6235 1 14 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.270 -0.052 18269
6236 1 14 . 1 1 13 13 VAL H H 13 7.040 7.040 8.314 -1.274 18269
6237 1 14 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.123 -0.038 18269
6238 1 14 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.352 -0.907 18269
6239 1 14 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.037 15.182 18269
6240 1 14 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.921 0.138 18269
6241 1 14 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.161 -2.590 18269
6242 1 14 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.102 0.148 18269
6243 1 14 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.174 0.157 18269
6244 1 14 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.397 -0.223 18269
6245 1 14 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.510 -0.104 18269
6246 1 14 . 1 1 16 16 GLU H H 16 8.098 8.098 8.368 -0.270 18269
6247 1 14 . 1 1 17 17 PHE N N 17 120.745 120.745 121.383 -0.638 18269
6248 1 14 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.612 -0.297 18269
6249 1 14 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.917 0.597 18269
6250 1 14 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.408 1.105 18269
6251 1 14 . 1 1 17 17 PHE H H 17 9.126 9.126 8.586 0.540 18269
6252 1 14 . 1 1 18 18 LEU N N 18 115.787 115.787 119.151 -3.364 18269
6253 1 14 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.010 0.133 18269
6254 1 14 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.462 -0.585 18269
6255 1 14 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.566 -0.615 18269
6256 1 14 . 1 1 18 18 LEU H H 18 8.505 8.505 8.214 0.291 18269
6257 1 14 . 1 1 19 19 ASN N N 19 117.635 117.635 116.885 0.750 18269
6258 1 14 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.454 0.422 18269
6259 1 14 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.558 -0.084 18269
6260 1 14 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.992 -0.665 18269
6261 1 14 . 1 1 19 19 ASN H H 19 8.405 8.405 8.297 0.108 18269
6262 1 14 . 1 1 20 20 ARG N N 20 122.851 122.851 120.450 2.401 18269
6263 1 14 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.127 -0.010 18269
6264 1 14 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.328 0.961 18269
6265 1 14 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.233 0.222 18269
6266 1 14 . 1 1 20 20 ARG H H 20 8.325 8.325 8.184 0.141 18269
6267 1 14 . 1 1 21 21 PHE N N 21 121.774 121.774 121.154 0.620 18269
6268 1 14 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.104 0.176 18269
6269 1 14 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.649 -2.638 18269
6270 1 14 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.365 -0.354 18269
6271 1 14 . 1 1 21 21 PHE H H 21 8.438 8.438 8.600 -0.162 18269
6272 1 14 . 1 1 22 22 TYR N N 22 119.937 119.937 119.134 0.803 18269
6273 1 14 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.905 -0.116 18269
6274 1 14 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.545 -0.893 18269
6275 1 14 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.455 -0.181 18269
6276 1 14 . 1 1 22 22 TYR H H 22 8.708 8.708 8.235 0.473 18269
6277 1 14 . 1 1 23 23 LYS N N 23 116.431 116.431 117.075 -0.644 18269
6278 1 14 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.045 -0.186 18269
6279 1 14 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.739 0.404 18269
6280 1 14 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.394 0.823 18269
6281 1 14 . 1 1 23 23 LYS H H 23 7.928 7.928 7.924 0.004 18269
6282 1 14 . 1 1 24 24 SER N N 24 113.888 113.888 117.773 -3.885 18269
6283 1 14 . 1 1 24 24 SER HA H 24 4.325 4.325 4.203 0.122 18269
6284 1 14 . 1 1 24 24 SER CA C 24 61.016 61.016 62.531 -1.515 18269
6285 1 14 . 1 1 24 24 SER CB C 24 62.837 62.837 62.904 -0.067 18269
6286 1 14 . 1 1 24 24 SER H H 24 7.665 7.665 7.825 -0.160 18269
6287 1 14 . 1 1 25 25 LEU N N 25 119.663 119.663 122.172 -2.509 18269
6288 1 14 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.869 -0.190 18269
6289 1 14 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.719 -0.214 18269
6290 1 14 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.373 1.528 18269
6291 1 14 . 1 1 25 25 LEU H H 25 7.573 7.573 7.725 -0.152 18269
6292 1 14 . 1 1 26 26 ILE N N 26 119.781 119.781 118.853 0.928 18269
6293 1 14 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.665 0.191 18269
6294 1 14 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.810 -0.261 18269
6295 1 14 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.477 0.828 18269
6296 1 14 . 1 1 26 26 ILE H H 26 8.094 8.094 7.772 0.322 18269
6297 1 14 . 1 1 27 27 ASP N N 27 122.421 122.421 120.125 2.296 18269
6298 1 14 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.440 -0.064 18269
6299 1 14 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.631 0.389 18269
6300 1 14 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.227 -1.147 18269
6301 1 14 . 1 1 27 27 ASP H H 27 9.091 9.091 7.736 1.355 18269
6302 1 14 . 1 1 28 28 ARG N N 28 115.349 115.349 116.813 -1.464 18269
6303 1 14 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.217 0.088 18269
6304 1 14 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.407 0.091 18269
6305 1 14 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.440 1.173 18269
6306 1 14 . 1 1 28 28 ARG H H 28 7.587 7.587 8.215 -0.628 18269
6307 1 14 . 1 1 29 29 GLY N N 29 109.999 109.999 109.484 0.515 18269
6308 1 14 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.170 1.491 18269
6309 1 14 . 1 1 29 29 GLY H H 29 7.909 7.909 8.026 -0.117 18269
6310 1 14 . 1 1 30 30 VAL N N 30 118.740 118.740 118.969 -0.229 18269
6311 1 14 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.487 -0.728 18269
6312 1 14 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.260 1.210 18269
6313 1 14 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.314 0.012 18269
6314 1 14 . 1 1 30 30 VAL H H 30 7.701 7.701 8.115 -0.414 18269
6315 1 14 . 1 1 31 31 ASN N N 31 123.250 123.250 123.212 0.038 18269
6316 1 14 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.595 0.118 18269
6317 1 14 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.315 0.173 18269
6318 1 14 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.497 -0.286 18269
6319 1 14 . 1 1 31 31 ASN H H 31 8.498 8.498 8.534 -0.036 18269
6320 1 14 . 1 1 32 32 PHE N N 32 126.076 126.076 117.400 8.676 18269
6321 1 14 . 1 1 32 32 PHE HA H 32 4.138 4.138 5.017 -0.879 18269
6322 1 14 . 1 1 32 32 PHE CA C 32 58.647 58.647 56.947 1.700 18269
6323 1 14 . 1 1 32 32 PHE CB C 32 36.779 36.779 40.307 -3.529 18269
6324 1 14 . 1 1 32 32 PHE H H 32 8.783 8.783 8.015 0.768 18269
6325 1 14 . 1 1 33 33 SER N N 33 115.958 115.958 117.019 -1.061 18269
6326 1 14 . 1 1 33 33 SER HA H 33 4.736 4.736 4.696 0.040 18269
6327 1 14 . 1 1 33 33 SER CA C 33 56.745 56.745 56.852 -0.107 18269
6328 1 14 . 1 1 33 33 SER CB C 33 64.899 64.899 64.856 0.043 18269
6329 1 14 . 1 1 33 33 SER H H 33 7.699 7.699 7.927 -0.228 18269
6330 1 14 . 1 1 34 34 LEU N N 34 124.359 124.359 126.869 -2.510 18269
6331 1 14 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.150 -0.297 18269
6332 1 14 . 1 1 34 34 LEU CA C 34 59.671 59.671 57.811 1.860 18269
6333 1 14 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.469 0.077 18269
6334 1 14 . 1 1 34 34 LEU H H 34 8.935 8.935 8.959 -0.024 18269
6335 1 14 . 1 1 35 35 ASP N N 35 115.345 115.345 116.439 -1.094 18269
6336 1 14 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.540 -0.162 18269
6337 1 14 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.190 -0.332 18269
6338 1 14 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.419 -0.259 18269
6339 1 14 . 1 1 35 35 ASP H H 35 8.575 8.575 8.524 0.051 18269
6340 1 14 . 1 1 36 36 THR N N 36 116.789 116.789 116.606 0.183 18269
6341 1 14 . 1 1 36 36 THR HA H 36 4.015 4.015 4.206 -0.191 18269
6342 1 14 . 1 1 36 36 THR CA C 36 66.069 66.069 66.428 -0.359 18269
6343 1 14 . 1 1 36 36 THR CB C 36 68.780 68.780 69.091 -0.312 18269
6344 1 14 . 1 1 36 36 THR H H 36 7.593 7.593 7.133 0.460 18269
6345 1 14 . 1 1 37 37 ILE N N 37 120.685 120.685 121.173 -0.488 18269
6346 1 14 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.793 -0.424 18269
6347 1 14 . 1 1 37 37 ILE CA C 37 65.800 65.800 62.980 2.820 18269
6348 1 14 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.052 1.039 18269
6349 1 14 . 1 1 37 37 ILE H H 37 8.436 8.436 8.741 -0.305 18269
6350 1 14 . 1 1 38 38 GLU N N 38 118.792 118.792 120.343 -1.551 18269
6351 1 14 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.944 -0.266 18269
6352 1 14 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.765 1.295 18269
6353 1 14 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.437 0.434 18269
6354 1 14 . 1 1 38 38 GLU H H 38 8.122 8.122 7.966 0.156 18269
6355 1 14 . 1 1 39 39 LYS N N 39 116.986 116.986 118.372 -1.386 18269
6356 1 14 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.260 -0.299 18269
6357 1 14 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.172 1.574 18269
6358 1 14 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.233 0.077 18269
6359 1 14 . 1 1 39 39 LYS H H 39 7.586 7.586 7.590 -0.004 18269
6360 1 14 . 1 1 40 40 GLU N N 40 117.892 117.892 120.908 -3.016 18269
6361 1 14 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.210 -0.005 18269
6362 1 14 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.931 -0.572 18269
6363 1 14 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.273 -0.694 18269
6364 1 14 . 1 1 40 40 GLU H H 40 8.690 8.690 8.645 0.045 18269
6365 1 14 . 1 1 41 41 LEU N N 41 125.830 125.830 120.190 5.640 18269
6366 1 14 . 1 1 41 41 LEU HA H 41 3.547 3.547 4.319 -0.772 18269
6367 1 14 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.042 -0.214 18269
6368 1 14 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.817 -1.479 18269
6369 1 14 . 1 1 41 41 LEU H H 41 8.978 8.978 8.530 0.448 18269
6370 1 14 . 1 1 42 42 ILE N N 42 119.900 119.900 119.727 0.173 18269
6371 1 14 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.717 -0.133 18269
6372 1 14 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.309 0.523 18269
6373 1 14 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.780 0.010 18269
6374 1 14 . 1 1 42 42 ILE H H 42 7.884 7.884 7.491 0.393 18269
6375 1 14 . 1 1 43 43 SER N N 43 114.071 114.071 115.728 -1.657 18269
6376 1 14 . 1 1 43 43 SER HA H 43 4.277 4.277 4.154 0.123 18269
6377 1 14 . 1 1 43 43 SER CA C 43 61.598 61.598 62.087 -0.489 18269
6378 1 14 . 1 1 43 43 SER CB C 43 62.767 62.767 63.298 -0.531 18269
6379 1 14 . 1 1 43 43 SER H H 43 7.791 7.791 8.504 -0.713 18269
6380 1 14 . 1 1 44 44 PHE N N 44 125.036 125.036 121.264 3.772 18269
6381 1 14 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.302 0.027 18269
6382 1 14 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.657 -0.400 18269
6383 1 14 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.475 1.156 18269
6384 1 14 . 1 1 44 44 PHE H H 44 9.060 9.060 8.880 0.180 18269
6385 1 14 . 1 1 45 45 CYS N N 45 112.824 112.824 120.021 -7.197 18269
6386 1 14 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.544 0.062 18269
6387 1 14 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.764 -2.528 18269
6388 1 14 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.919 16.703 18269
6389 1 14 . 1 1 45 45 CYS H H 45 8.254 8.254 8.229 0.025 18269
6390 1 14 . 1 1 46 46 LEU N N 46 123.875 123.875 118.781 5.094 18269
6391 1 14 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.320 -0.145 18269
6392 1 14 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.595 1.556 18269
6393 1 14 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.218 0.034 18269
6394 1 14 . 1 1 46 46 LEU H H 46 7.776 7.776 7.987 -0.211 18269
6395 1 14 . 1 1 47 47 ASP N N 47 116.880 116.880 117.488 -0.608 18269
6396 1 14 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.654 0.256 18269
6397 1 14 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.001 -1.416 18269
6398 1 14 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.761 -1.386 18269
6399 1 14 . 1 1 47 47 ASP H H 47 7.852 7.852 7.856 -0.004 18269
6400 1 14 . 1 1 48 48 THR N N 48 108.053 108.053 112.423 -4.370 18269
6401 1 14 . 1 1 48 48 THR HA H 48 4.461 4.461 4.323 0.138 18269
6402 1 14 . 1 1 48 48 THR CA C 48 60.844 60.844 60.863 -0.019 18269
6403 1 14 . 1 1 48 48 THR CB C 48 73.395 73.395 70.152 3.243 18269
6404 1 14 . 1 1 48 48 THR H H 48 7.139 7.139 7.314 -0.175 18269
6405 1 14 . 1 1 49 49 LYS N N 49 118.308 118.308 119.001 -0.693 18269
6406 1 14 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.396 0.322 18269
6407 1 14 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.645 -1.601 18269
6408 1 14 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.574 2.996 18269
6409 1 14 . 1 1 49 49 LYS H H 49 8.755 8.755 8.188 0.567 18269
6410 1 14 . 1 1 50 50 GLY N N 50 108.996 108.996 109.073 -0.077 18269
6411 1 14 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.631 -0.788 18269
6412 1 14 . 1 1 50 50 GLY H H 50 8.866 8.866 8.775 0.091 18269
6413 1 14 . 1 1 51 51 LYS N N 51 126.155 126.155 120.505 5.650 18269
6414 1 14 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.015 -0.045 18269
6415 1 14 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.450 -1.340 18269
6416 1 14 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.708 0.911 18269
6417 1 14 . 1 1 51 51 LYS H H 51 9.254 9.254 8.436 0.818 18269
6418 1 14 . 1 1 52 52 GLU N N 52 116.496 116.496 119.141 -2.645 18269
6419 1 14 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.258 -0.735 18269
6420 1 14 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.379 0.011 18269
6421 1 14 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.455 -0.769 18269
6422 1 14 . 1 1 52 52 GLU H H 52 8.223 8.223 8.058 0.165 18269
6423 1 14 . 1 1 53 53 ASN N N 53 119.000 119.000 118.365 0.635 18269
6424 1 14 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.755 -0.371 18269
6425 1 14 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.767 1.211 18269
6426 1 14 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.542 0.904 18269
6427 1 14 . 1 1 53 53 ASN H H 53 6.840 6.840 8.709 -1.869 18269
6428 1 14 . 1 1 54 54 ARG N N 54 118.480 118.480 119.514 -1.034 18269
6429 1 14 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.133 -0.364 18269
6430 1 14 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.590 -0.193 18269
6431 1 14 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.047 -1.306 18269
6432 1 14 . 1 1 54 54 ARG H H 54 7.456 7.456 8.013 -0.557 18269
6433 1 14 . 1 1 55 55 LEU N N 55 118.688 118.688 121.709 -3.021 18269
6434 1 14 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.336 -0.528 18269
6435 1 14 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.719 0.740 18269
6436 1 14 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.837 -1.717 18269
6437 1 14 . 1 1 55 55 LEU H H 55 7.843 7.843 8.097 -0.254 18269
6438 1 14 . 1 1 56 56 CYS N N 56 115.905 115.905 116.995 -1.090 18269
6439 1 14 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.829 0.044 18269
6440 1 14 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.128 1.909 18269
6441 1 14 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.451 16.454 18269
6442 1 14 . 1 1 56 56 CYS H H 56 7.752 7.752 7.937 -0.185 18269
6443 1 14 . 1 1 57 57 TYR N N 57 121.810 121.810 119.855 1.955 18269
6444 1 14 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.110 0.033 18269
6445 1 14 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.937 0.378 18269
6446 1 14 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.593 -0.539 18269
6447 1 14 . 1 1 57 57 TYR H H 57 7.911 7.911 7.677 0.234 18269
6448 1 14 . 1 1 58 58 TYR N N 58 121.916 121.916 115.464 6.452 18269
6449 1 14 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.405 -0.030 18269
6450 1 14 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.472 -1.463 18269
6451 1 14 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.915 -0.891 18269
6452 1 14 . 1 1 58 58 TYR H H 58 8.334 8.334 7.510 0.824 18269
6453 1 14 . 1 1 59 59 LEU N N 59 114.461 114.461 116.704 -2.243 18269
6454 1 14 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.388 -0.268 18269
6455 1 14 . 1 1 59 59 LEU CA C 59 55.229 55.229 53.857 1.372 18269
6456 1 14 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.516 0.529 18269
6457 1 14 . 1 1 59 59 LEU H H 59 8.079 8.079 7.285 0.794 18269
6458 1 14 . 1 1 60 60 GLY N N 60 102.559 102.559 107.495 -4.936 18269
6459 1 14 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.210 0.362 18269
6460 1 14 . 1 1 60 60 GLY H H 60 7.562 7.562 7.843 -0.281 18269
6461 1 14 . 1 1 61 61 ALA N N 61 120.327 120.327 124.202 -3.875 18269
6462 1 14 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.716 -0.315 18269
6463 1 14 . 1 1 61 61 ALA CA C 61 51.265 51.265 50.416 0.849 18269
6464 1 14 . 1 1 61 61 ALA CB C 61 20.337 20.337 21.854 -1.517 18269
6465 1 14 . 1 1 61 61 ALA H H 61 7.995 7.995 7.501 0.494 18269
6466 1 14 . 1 1 62 62 THR N N 62 106.895 106.895 109.107 -2.212 18269
6467 1 14 . 1 1 62 62 THR HA H 62 4.518 4.518 3.992 0.526 18269
6468 1 14 . 1 1 62 62 THR CA C 62 59.982 59.982 62.533 -2.551 18269
6469 1 14 . 1 1 62 62 THR CB C 62 70.540 70.540 68.350 2.190 18269
6470 1 14 . 1 1 62 62 THR H H 62 7.156 7.156 8.537 -1.381 18269
6471 1 14 . 1 1 63 63 LYS N N 63 121.251 121.251 123.912 -2.661 18269
6472 1 14 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.319 -0.222 18269
6473 1 14 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.389 1.883 18269
6474 1 14 . 1 1 63 63 LYS CB C 63 32.155 32.155 30.290 1.865 18269
6475 1 14 . 1 1 63 63 LYS H H 63 8.626 8.626 8.672 -0.046 18269
6476 1 14 . 1 1 64 64 ASP N N 64 116.607 116.607 118.942 -2.335 18269
6477 1 14 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.553 0.004 18269
6478 1 14 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.567 -0.665 18269
6479 1 14 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.104 -1.998 18269
6480 1 14 . 1 1 64 64 ASP H H 64 8.441 8.441 8.000 0.441 18269
6481 1 14 . 1 1 65 65 ALA N N 65 122.486 122.486 121.893 0.593 18269
6482 1 14 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.290 -0.205 18269
6483 1 14 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.991 1.558 18269
6484 1 14 . 1 1 65 65 ALA CB C 65 19.557 19.557 19.953 -0.396 18269
6485 1 14 . 1 1 65 65 ALA H H 65 7.368 7.368 7.058 0.310 18269
6486 1 14 . 1 1 66 66 ALA N N 66 124.171 124.171 120.309 3.862 18269
6487 1 14 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.082 0.362 18269
6488 1 14 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.858 -0.386 18269
6489 1 14 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.188 1.077 18269
6490 1 14 . 1 1 66 66 ALA H H 66 8.300 8.300 8.611 -0.311 18269
6491 1 14 . 1 1 67 67 THR N N 67 111.638 111.638 119.282 -7.644 18269
6492 1 14 . 1 1 67 67 THR HA H 67 4.496 4.496 4.091 0.405 18269
6493 1 14 . 1 1 67 67 THR CA C 67 60.881 60.881 63.818 -2.937 18269
6494 1 14 . 1 1 67 67 THR CB C 67 70.199 70.199 69.104 1.095 18269
6495 1 14 . 1 1 67 67 THR H H 67 7.730 7.730 8.182 -0.452 18269
6496 1 14 . 1 1 68 68 LYS N N 68 121.732 121.732 121.586 0.146 18269
6497 1 14 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.236 0.300 18269
6498 1 14 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.537 -1.975 18269
6499 1 14 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.261 0.838 18269
6500 1 14 . 1 1 68 68 LYS H H 68 8.502 8.502 8.188 0.314 18269
6501 1 14 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.945 0.394 18269
6502 1 14 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.565 -1.859 18269
6503 1 14 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.290 0.510 18269
6504 1 14 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.148 -0.017 18269
6505 1 14 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.794 0.822 18269
6506 1 14 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.782 -0.044 18269
6507 1 14 . 1 1 71 71 SER HA H 71 4.817 4.817 4.283 0.534 18269
6508 1 14 . 1 1 71 71 SER CA C 71 60.667 60.667 60.836 -0.169 18269
6509 1 14 . 1 1 71 71 SER CB C 71 62.646 62.646 63.090 -0.444 18269
6510 1 14 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.160 0.104 18269
6511 1 14 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.870 -2.241 18269
6512 1 14 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.596 -1.349 18269
6513 1 14 . 1 1 73 73 VAL N N 73 114.786 114.786 117.749 -2.963 18269
6514 1 14 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.880 0.222 18269
6515 1 14 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.981 -2.240 18269
6516 1 14 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.137 1.128 18269
6517 1 14 . 1 1 73 73 VAL H H 73 7.812 7.812 7.717 0.095 18269
6518 1 14 . 1 1 74 74 THR HA H 74 3.767 3.767 3.870 -0.103 18269
6519 1 14 . 1 1 74 74 THR CA C 74 65.584 65.584 66.145 -0.561 18269
6520 1 14 . 1 1 74 74 THR CB C 74 67.470 67.470 68.440 -0.970 18269
6521 1 14 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.212 0.034 18269
6522 1 14 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.970 1.413 18269
6523 1 14 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.904 0.716 18269
6524 1 14 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.258 0.227 18269
6525 1 14 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.719 -0.022 18269
6526 1 14 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.377 -0.482 18269
6527 1 14 . 1 1 77 77 MET N N 77 117.583 117.583 113.682 3.901 18269
6528 1 14 . 1 1 77 77 MET HA H 77 4.684 4.684 3.961 0.723 18269
6529 1 14 . 1 1 77 77 MET CA C 77 59.347 59.347 56.529 2.818 18269
6530 1 14 . 1 1 77 77 MET CB C 77 32.996 32.996 31.372 1.623 18269
6531 1 14 . 1 1 77 77 MET H H 77 7.685 7.685 8.242 -0.557 18269
6532 1 14 . 1 1 78 78 SER N N 78 114.578 114.578 113.904 0.674 18269
6533 1 14 . 1 1 78 78 SER HA H 78 4.226 4.226 4.321 -0.095 18269
6534 1 14 . 1 1 78 78 SER CA C 78 61.922 61.922 59.656 2.266 18269
6535 1 14 . 1 1 78 78 SER CB C 78 62.406 62.406 63.503 -1.097 18269
6536 1 14 . 1 1 78 78 SER H H 78 8.285 8.285 7.492 0.793 18269
6537 1 14 . 1 1 79 79 VAL N N 79 111.248 111.248 117.063 -5.815 18269
6538 1 14 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.134 0.617 18269
6539 1 14 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.817 0.309 18269
6540 1 14 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.941 -4.595 18269
6541 1 14 . 1 1 79 79 VAL H H 79 7.004 7.004 7.552 -0.548 18269
6542 1 14 . 1 1 80 80 HIS N N 80 116.703 116.703 121.775 -5.072 18269
6543 1 14 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.674 -0.558 18269
6544 1 14 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.557 -0.731 18269
6545 1 14 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.180 -3.291 18269
6546 1 14 . 1 1 80 80 HIS H H 80 8.289 8.289 8.351 -0.062 18269
6547 1 14 . 1 1 81 81 MET N N 81 120.978 120.978 124.075 -3.097 18269
6548 1 14 . 1 1 81 81 MET HA H 81 4.512 4.512 4.882 -0.370 18269
6549 1 14 . 1 1 81 81 MET CA C 81 55.007 55.007 52.428 2.579 18269
6550 1 14 . 1 1 81 81 MET CB C 81 33.265 33.265 33.569 -0.304 18269
6551 1 14 . 1 1 81 81 MET H H 81 8.006 8.006 8.424 -0.418 18269
6552 1 14 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.234 0.107 18269
6553 1 14 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.720 -1.484 18269
6554 1 14 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.599 2.064 18269
6555 1 14 . 1 1 83 83 ALA N N 83 126.545 126.545 121.818 4.727 18269
6556 1 14 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.932 0.014 18269
6557 1 14 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.551 0.422 18269
6558 1 14 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.547 0.928 18269
6559 1 14 . 1 1 83 83 ALA H H 83 9.196 9.196 8.278 0.918 18269
6560 1 14 . 1 1 84 84 MET N N 84 114.734 114.734 116.100 -1.366 18269
6561 1 14 . 1 1 84 84 MET HA H 84 4.024 4.024 4.587 -0.563 18269
6562 1 14 . 1 1 84 84 MET CA C 84 58.812 58.812 57.391 1.421 18269
6563 1 14 . 1 1 84 84 MET CB C 84 32.242 32.242 31.527 0.715 18269
6564 1 14 . 1 1 84 84 MET H H 84 9.289 9.289 8.138 1.151 18269
6565 1 14 . 1 1 85 85 LYS N N 85 116.490 116.490 120.491 -4.001 18269
6566 1 14 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.258 -0.084 18269
6567 1 14 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.680 -0.564 18269
6568 1 14 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.152 -0.359 18269
6569 1 14 . 1 1 85 85 LYS H H 85 6.997 6.997 8.581 -1.584 18269
6570 1 14 . 1 1 86 86 ILE N N 86 120.561 120.561 121.127 -0.566 18269
6571 1 14 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.696 -0.081 18269
6572 1 14 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.188 1.090 18269
6573 1 14 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.829 -0.309 18269
6574 1 14 . 1 1 86 86 ILE H H 86 7.875 7.875 7.526 0.349 18269
6575 1 14 . 1 1 87 87 CYS N N 87 117.323 117.323 118.438 -1.115 18269
6576 1 14 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.103 -0.027 18269
6577 1 14 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.738 -0.678 18269
6578 1 14 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.738 16.995 18269
6579 1 14 . 1 1 87 87 CYS H H 87 8.643 8.643 7.913 0.730 18269
6580 1 14 . 1 1 88 88 GLU N N 88 118.070 118.070 119.231 -1.161 18269
6581 1 14 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.149 -0.201 18269
6582 1 14 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.732 1.031 18269
6583 1 14 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.101 0.663 18269
6584 1 14 . 1 1 88 88 GLU H H 88 8.045 8.045 8.483 -0.438 18269
6585 1 14 . 1 1 89 89 LYS N N 89 119.719 119.719 118.094 1.625 18269
6586 1 14 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.228 -0.090 18269
6587 1 14 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.043 1.087 18269
6588 1 14 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.552 -0.849 18269
6589 1 14 . 1 1 89 89 LYS H H 89 7.530 7.530 7.319 0.211 18269
6590 1 14 . 1 1 90 90 LEU N N 90 119.550 119.550 121.557 -2.007 18269
6591 1 14 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.095 -0.130 18269
6592 1 14 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.081 0.262 18269
6593 1 14 . 1 1 90 90 LEU CB C 90 40.991 40.991 40.858 0.133 18269
6594 1 14 . 1 1 90 90 LEU H H 90 8.422 8.422 8.123 0.299 18269
6595 1 14 . 1 1 91 91 LYS N N 91 119.180 119.180 118.194 0.986 18269
6596 1 14 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.154 -0.292 18269
6597 1 14 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.839 -0.234 18269
6598 1 14 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.089 0.388 18269
6599 1 14 . 1 1 91 91 LYS H H 91 8.218 8.218 7.506 0.712 18269
6600 1 14 . 1 1 92 92 LYS N N 92 113.632 113.632 116.890 -3.258 18269
6601 1 14 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.172 -0.119 18269
6602 1 14 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.594 -0.036 18269
6603 1 14 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.204 -0.270 18269
6604 1 14 . 1 1 92 92 LYS H H 92 6.984 6.984 7.403 -0.419 18269
6605 1 14 . 1 1 93 93 LEU N N 93 119.104 119.104 119.406 -0.302 18269
6606 1 14 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.334 -0.044 18269
6607 1 14 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.605 -0.501 18269
6608 1 14 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.206 -1.104 18269
6609 1 14 . 1 1 93 93 LEU H H 93 7.456 7.456 7.746 -0.290 18269
6610 1 14 . 1 1 94 94 ASP N N 94 116.790 116.790 115.021 1.769 18269
6611 1 14 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.758 -0.202 18269
6612 1 14 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.809 0.557 18269
6613 1 14 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.911 -1.738 18269
6614 1 14 . 1 1 94 94 ASP H H 94 7.911 7.911 7.981 -0.070 18269
6615 1 14 . 1 1 95 95 SER N N 95 122.399 122.399 120.009 2.390 18269
6616 1 14 . 1 1 95 95 SER HA H 95 4.186 4.186 4.249 -0.063 18269
6617 1 14 . 1 1 95 95 SER CA C 95 61.472 61.472 61.121 0.351 18269
6618 1 14 . 1 1 95 95 SER CB C 95 62.568 62.568 63.632 -1.064 18269
6619 1 14 . 1 1 95 95 SER H H 95 8.894 8.894 8.671 0.223 18269
6620 1 14 . 1 1 96 96 GLN N N 96 120.800 120.800 122.453 -1.653 18269
6621 1 14 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.032 -0.170 18269
6622 1 14 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.093 0.058 18269
6623 1 14 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.980 0.437 18269
6624 1 14 . 1 1 96 96 GLN H H 96 8.610 8.610 7.699 0.911 18269
6625 1 14 . 1 1 97 97 ILE N N 97 117.387 117.387 117.693 -0.306 18269
6626 1 14 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.109 0.290 18269
6627 1 14 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.056 1.774 18269
6628 1 14 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.617 0.656 18269
6629 1 14 . 1 1 97 97 ILE H H 97 7.470 7.470 7.624 -0.154 18269
6630 1 14 . 1 1 98 98 CYS N N 98 113.485 113.485 117.256 -3.771 18269
6631 1 14 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.348 0.723 18269
6632 1 14 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.504 2.469 18269
6633 1 14 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.628 20.958 18269
6634 1 14 . 1 1 98 98 CYS H H 98 7.410 7.410 7.512 -0.102 18269
6635 1 14 . 1 1 99 99 GLU N N 99 119.123 119.123 120.566 -1.443 18269
6636 1 14 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.325 -0.002 18269
6637 1 14 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.772 0.954 18269
6638 1 14 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.312 2.667 18269
6639 1 14 . 1 1 99 99 GLU H H 99 7.308 7.308 8.373 -1.065 18269
6640 1 14 . 1 1 100 100 LEU N N 100 115.771 115.771 120.941 -5.170 18269
6641 1 14 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.053 0.244 18269
6642 1 14 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.994 -0.312 18269
6643 1 14 . 1 1 100 100 LEU CB C 100 42.961 42.961 43.162 -0.201 18269
6644 1 14 . 1 1 100 100 LEU H H 100 6.496 6.496 7.379 -0.883 18269
6645 1 14 . 1 1 101 101 LYS N N 101 125.672 125.672 113.630 12.042 18269
6646 1 14 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.092 0.502 18269
6647 1 14 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.000 -1.650 18269
6648 1 14 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.355 5.368 18269
6649 1 14 . 1 1 101 101 LYS H H 101 8.575 8.575 7.901 0.674 18269
6650 1 14 . 1 1 102 102 TYR N N 102 120.395 120.395 122.866 -2.471 18269
6651 1 14 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.220 0.162 18269
6652 1 14 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.418 -1.394 18269
6653 1 14 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.063 -0.735 18269
6654 1 14 . 1 1 102 102 TYR H H 102 8.756 8.756 8.435 0.321 18269
6655 1 14 . 1 1 103 103 GLU N N 103 121.550 121.550 116.249 5.301 18269
6656 1 14 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.390 0.002 18269
6657 1 14 . 1 1 103 103 GLU CA C 103 56.327 56.327 55.914 0.413 18269
6658 1 14 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.164 1.138 18269
6659 1 14 . 1 1 103 103 GLU H H 103 8.835 8.835 8.608 0.227 18269
6660 1 14 . 1 1 104 104 LYS N N 104 122.957 122.957 114.660 8.297 18269
6661 1 14 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.975 0.486 18269
6662 1 14 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.720 -1.446 18269
6663 1 14 . 1 1 104 104 LYS CB C 104 33.047 33.047 30.732 2.315 18269
6664 1 14 . 1 1 104 104 LYS H H 104 8.490 8.490 8.613 -0.123 18269
6665 1 15 . 1 1 2 2 GLU N N 2 121.590 121.590 120.512 1.078 18269
6666 1 15 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.501 -0.207 18269
6667 1 15 . 1 1 2 2 GLU CA C 2 56.517 56.517 54.773 1.744 18269
6668 1 15 . 1 1 2 2 GLU CB C 2 30.151 30.151 30.480 -0.329 18269
6669 1 15 . 1 1 2 2 GLU H H 2 8.621 8.621 8.162 0.459 18269
6670 1 15 . 1 1 3 3 ALA N N 3 125.815 125.815 121.488 4.327 18269
6671 1 15 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.649 -0.283 18269
6672 1 15 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.098 1.559 18269
6673 1 15 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.763 0.184 18269
6674 1 15 . 1 1 3 3 ALA H H 3 8.598 8.598 8.898 -0.300 18269
6675 1 15 . 1 1 4 4 GLY N N 4 108.386 108.386 110.661 -2.275 18269
6676 1 15 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.984 -0.847 18269
6677 1 15 . 1 1 4 4 GLY H H 4 8.487 8.487 9.059 -0.572 18269
6678 1 15 . 1 1 5 5 GLY N N 5 108.367 108.367 110.431 -2.064 18269
6679 1 15 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.207 0.547 18269
6680 1 15 . 1 1 5 5 GLY H H 5 8.274 8.274 8.123 0.151 18269
6681 1 15 . 1 1 6 6 ARG N N 6 121.577 121.577 116.127 5.450 18269
6682 1 15 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.295 0.380 18269
6683 1 15 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.518 -1.637 18269
6684 1 15 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.956 2.179 18269
6685 1 15 . 1 1 6 6 ARG H H 6 8.297 8.297 8.020 0.277 18269
6686 1 15 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.414 0.077 18269
6687 1 15 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.991 0.362 18269
6688 1 15 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.339 1.708 18269
6689 1 15 . 1 1 8 8 GLY N N 8 109.658 109.658 105.812 3.846 18269
6690 1 15 . 1 1 8 8 GLY CA C 8 45.088 45.088 44.471 0.617 18269
6691 1 15 . 1 1 8 8 GLY H H 8 8.660 8.660 8.517 0.143 18269
6692 1 15 . 1 1 9 9 ALA N N 9 123.995 123.995 121.704 2.291 18269
6693 1 15 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.394 0.046 18269
6694 1 15 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.335 -0.538 18269
6695 1 15 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.866 0.413 18269
6696 1 15 . 1 1 9 9 ALA H H 9 8.200 8.200 7.243 0.957 18269
6697 1 15 . 1 1 10 10 ASP N N 10 119.834 119.834 118.650 1.184 18269
6698 1 15 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.700 -0.043 18269
6699 1 15 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.735 -0.195 18269
6700 1 15 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.908 -0.402 18269
6701 1 15 . 1 1 10 10 ASP H H 10 8.290 8.290 8.694 -0.404 18269
6702 1 15 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.413 0.217 18269
6703 1 15 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.712 -4.954 18269
6704 1 15 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.341 15.119 18269
6705 1 15 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.837 0.127 18269
6706 1 15 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.401 1.976 18269
6707 1 15 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.368 2.887 18269
6708 1 15 . 1 1 13 13 VAL N N 13 117.224 117.224 119.688 -2.464 18269
6709 1 15 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.881 -0.135 18269
6710 1 15 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.523 -1.477 18269
6711 1 15 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.654 -0.436 18269
6712 1 15 . 1 1 13 13 VAL H H 13 7.040 7.040 8.402 -1.362 18269
6713 1 15 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.335 -0.250 18269
6714 1 15 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.009 0.436 18269
6715 1 15 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.064 15.155 18269
6716 1 15 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.181 -0.122 18269
6717 1 15 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.422 -1.851 18269
6718 1 15 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.683 0.567 18269
6719 1 15 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.210 0.121 18269
6720 1 15 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.401 -0.227 18269
6721 1 15 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.536 -0.130 18269
6722 1 15 . 1 1 16 16 GLU H H 16 8.098 8.098 8.366 -0.268 18269
6723 1 15 . 1 1 17 17 PHE N N 17 120.745 120.745 121.906 -1.161 18269
6724 1 15 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.442 -0.127 18269
6725 1 15 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.181 0.333 18269
6726 1 15 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.393 1.120 18269
6727 1 15 . 1 1 17 17 PHE H H 17 9.126 9.126 8.041 1.085 18269
6728 1 15 . 1 1 18 18 LEU N N 18 115.787 115.787 117.926 -2.139 18269
6729 1 15 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.985 0.158 18269
6730 1 15 . 1 1 18 18 LEU CA C 18 57.877 57.877 57.940 -0.063 18269
6731 1 15 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.475 -0.523 18269
6732 1 15 . 1 1 18 18 LEU H H 18 8.505 8.505 8.819 -0.314 18269
6733 1 15 . 1 1 19 19 ASN N N 19 117.635 117.635 118.219 -0.584 18269
6734 1 15 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.419 0.457 18269
6735 1 15 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.444 0.030 18269
6736 1 15 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.870 -0.542 18269
6737 1 15 . 1 1 19 19 ASN H H 19 8.405 8.405 8.049 0.356 18269
6738 1 15 . 1 1 20 20 ARG N N 20 122.851 122.851 120.075 2.776 18269
6739 1 15 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.197 -0.080 18269
6740 1 15 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.491 0.798 18269
6741 1 15 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.209 0.246 18269
6742 1 15 . 1 1 20 20 ARG H H 20 8.325 8.325 8.417 -0.092 18269
6743 1 15 . 1 1 21 21 PHE N N 21 121.774 121.774 120.247 1.527 18269
6744 1 15 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.103 0.177 18269
6745 1 15 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.636 -1.625 18269
6746 1 15 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.229 -0.218 18269
6747 1 15 . 1 1 21 21 PHE H H 21 8.438 8.438 8.214 0.224 18269
6748 1 15 . 1 1 22 22 TYR N N 22 119.937 119.937 119.985 -0.048 18269
6749 1 15 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.791 -0.002 18269
6750 1 15 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.946 -0.294 18269
6751 1 15 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.348 -0.074 18269
6752 1 15 . 1 1 22 22 TYR H H 22 8.708 8.708 8.160 0.548 18269
6753 1 15 . 1 1 23 23 LYS N N 23 116.431 116.431 117.909 -1.478 18269
6754 1 15 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.039 -0.180 18269
6755 1 15 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.921 1.222 18269
6756 1 15 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.758 0.459 18269
6757 1 15 . 1 1 23 23 LYS H H 23 7.928 7.928 8.314 -0.386 18269
6758 1 15 . 1 1 24 24 SER N N 24 113.888 113.888 115.449 -1.561 18269
6759 1 15 . 1 1 24 24 SER HA H 24 4.325 4.325 4.237 0.088 18269
6760 1 15 . 1 1 24 24 SER CA C 24 61.016 61.016 61.547 -0.531 18269
6761 1 15 . 1 1 24 24 SER CB C 24 62.837 62.837 62.902 -0.065 18269
6762 1 15 . 1 1 24 24 SER H H 24 7.665 7.665 8.269 -0.604 18269
6763 1 15 . 1 1 25 25 LEU N N 25 119.663 119.663 122.917 -3.254 18269
6764 1 15 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.010 -0.331 18269
6765 1 15 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.621 -0.116 18269
6766 1 15 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.510 0.392 18269
6767 1 15 . 1 1 25 25 LEU H H 25 7.573 7.573 7.435 0.138 18269
6768 1 15 . 1 1 26 26 ILE N N 26 119.781 119.781 120.398 -0.617 18269
6769 1 15 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.613 0.243 18269
6770 1 15 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.916 -0.367 18269
6771 1 15 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.736 0.569 18269
6772 1 15 . 1 1 26 26 ILE H H 26 8.094 8.094 7.705 0.389 18269
6773 1 15 . 1 1 27 27 ASP N N 27 122.421 122.421 119.892 2.529 18269
6774 1 15 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.394 -0.018 18269
6775 1 15 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.623 0.397 18269
6776 1 15 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.134 -1.054 18269
6777 1 15 . 1 1 27 27 ASP H H 27 9.091 9.091 7.952 1.139 18269
6778 1 15 . 1 1 28 28 ARG N N 28 115.349 115.349 117.645 -2.296 18269
6779 1 15 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.350 -0.045 18269
6780 1 15 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.316 0.182 18269
6781 1 15 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.672 0.941 18269
6782 1 15 . 1 1 28 28 ARG H H 28 7.587 7.587 7.646 -0.059 18269
6783 1 15 . 1 1 29 29 GLY N N 29 109.999 109.999 108.044 1.955 18269
6784 1 15 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.557 1.104 18269
6785 1 15 . 1 1 29 29 GLY H H 29 7.909 7.909 7.523 0.386 18269
6786 1 15 . 1 1 30 30 VAL N N 30 118.740 118.740 117.360 1.380 18269
6787 1 15 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.335 -0.576 18269
6788 1 15 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.980 1.490 18269
6789 1 15 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.436 -0.110 18269
6790 1 15 . 1 1 30 30 VAL H H 30 7.701 7.701 8.048 -0.347 18269
6791 1 15 . 1 1 31 31 ASN N N 31 123.250 123.250 118.243 5.007 18269
6792 1 15 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.735 -0.022 18269
6793 1 15 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.638 0.850 18269
6794 1 15 . 1 1 31 31 ASN CB C 31 39.211 39.211 38.742 0.469 18269
6795 1 15 . 1 1 31 31 ASN H H 31 8.498 8.498 7.981 0.517 18269
6796 1 15 . 1 1 32 32 PHE N N 32 126.076 126.076 122.465 3.611 18269
6797 1 15 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.628 -0.490 18269
6798 1 15 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.446 0.201 18269
6799 1 15 . 1 1 32 32 PHE CB C 32 36.779 36.779 40.172 -3.393 18269
6800 1 15 . 1 1 32 32 PHE H H 32 8.783 8.783 8.442 0.341 18269
6801 1 15 . 1 1 33 33 SER N N 33 115.958 115.958 118.394 -2.436 18269
6802 1 15 . 1 1 33 33 SER HA H 33 4.736 4.736 4.608 0.128 18269
6803 1 15 . 1 1 33 33 SER CA C 33 56.745 56.745 57.561 -0.816 18269
6804 1 15 . 1 1 33 33 SER CB C 33 64.899 64.899 63.416 1.483 18269
6805 1 15 . 1 1 33 33 SER H H 33 7.699 7.699 8.216 -0.517 18269
6806 1 15 . 1 1 34 34 LEU N N 34 124.359 124.359 128.101 -3.742 18269
6807 1 15 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.109 -0.256 18269
6808 1 15 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.210 1.461 18269
6809 1 15 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.545 0.001 18269
6810 1 15 . 1 1 34 34 LEU H H 34 8.935 8.935 9.001 -0.066 18269
6811 1 15 . 1 1 35 35 ASP N N 35 115.345 115.345 116.286 -0.941 18269
6812 1 15 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.526 -0.148 18269
6813 1 15 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.375 -0.517 18269
6814 1 15 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.489 -0.328 18269
6815 1 15 . 1 1 35 35 ASP H H 35 8.575 8.575 8.571 0.004 18269
6816 1 15 . 1 1 36 36 THR N N 36 116.789 116.789 117.386 -0.597 18269
6817 1 15 . 1 1 36 36 THR HA H 36 4.015 4.015 4.239 -0.224 18269
6818 1 15 . 1 1 36 36 THR CA C 36 66.069 66.069 66.312 -0.243 18269
6819 1 15 . 1 1 36 36 THR CB C 36 68.780 68.780 68.755 0.025 18269
6820 1 15 . 1 1 36 36 THR H H 36 7.593 7.593 7.275 0.318 18269
6821 1 15 . 1 1 37 37 ILE N N 37 120.685 120.685 121.465 -0.780 18269
6822 1 15 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.835 -0.466 18269
6823 1 15 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.779 0.021 18269
6824 1 15 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.465 -0.374 18269
6825 1 15 . 1 1 37 37 ILE H H 37 8.436 8.436 8.452 -0.016 18269
6826 1 15 . 1 1 38 38 GLU N N 38 118.792 118.792 121.195 -2.403 18269
6827 1 15 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.920 -0.242 18269
6828 1 15 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.919 1.141 18269
6829 1 15 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.489 0.382 18269
6830 1 15 . 1 1 38 38 GLU H H 38 8.122 8.122 7.818 0.304 18269
6831 1 15 . 1 1 39 39 LYS N N 39 116.986 116.986 119.749 -2.763 18269
6832 1 15 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.080 -0.119 18269
6833 1 15 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.878 0.868 18269
6834 1 15 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.123 0.187 18269
6835 1 15 . 1 1 39 39 LYS H H 39 7.586 7.586 7.684 -0.098 18269
6836 1 15 . 1 1 40 40 GLU N N 40 117.892 117.892 119.645 -1.753 18269
6837 1 15 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.272 -0.067 18269
6838 1 15 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.086 -0.727 18269
6839 1 15 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.578 -0.999 18269
6840 1 15 . 1 1 40 40 GLU H H 40 8.690 8.690 8.513 0.177 18269
6841 1 15 . 1 1 41 41 LEU N N 41 125.830 125.830 121.006 4.824 18269
6842 1 15 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.786 -0.239 18269
6843 1 15 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.255 -0.427 18269
6844 1 15 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.683 -1.345 18269
6845 1 15 . 1 1 41 41 LEU H H 41 8.978 8.978 8.392 0.586 18269
6846 1 15 . 1 1 42 42 ILE N N 42 119.900 119.900 120.253 -0.353 18269
6847 1 15 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.940 -0.356 18269
6848 1 15 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.190 0.642 18269
6849 1 15 . 1 1 42 42 ILE CB C 42 37.790 37.790 38.059 -0.269 18269
6850 1 15 . 1 1 42 42 ILE H H 42 7.884 7.884 7.735 0.149 18269
6851 1 15 . 1 1 43 43 SER N N 43 114.071 114.071 115.925 -1.854 18269
6852 1 15 . 1 1 43 43 SER HA H 43 4.277 4.277 4.210 0.067 18269
6853 1 15 . 1 1 43 43 SER CA C 43 61.598 61.598 61.551 0.047 18269
6854 1 15 . 1 1 43 43 SER CB C 43 62.767 62.767 63.387 -0.620 18269
6855 1 15 . 1 1 43 43 SER H H 43 7.791 7.791 8.281 -0.490 18269
6856 1 15 . 1 1 44 44 PHE N N 44 125.036 125.036 123.236 1.800 18269
6857 1 15 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.262 0.067 18269
6858 1 15 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.843 -0.586 18269
6859 1 15 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.369 1.262 18269
6860 1 15 . 1 1 44 44 PHE H H 44 9.060 9.060 8.698 0.362 18269
6861 1 15 . 1 1 45 45 CYS N N 45 112.824 112.824 117.977 -5.153 18269
6862 1 15 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.596 0.010 18269
6863 1 15 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.977 -3.741 18269
6864 1 15 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.751 16.872 18269
6865 1 15 . 1 1 45 45 CYS H H 45 8.254 8.254 8.470 -0.216 18269
6866 1 15 . 1 1 46 46 LEU N N 46 123.875 123.875 119.790 4.085 18269
6867 1 15 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.290 -0.115 18269
6868 1 15 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.116 1.035 18269
6869 1 15 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.231 0.021 18269
6870 1 15 . 1 1 46 46 LEU H H 46 7.776 7.776 7.620 0.156 18269
6871 1 15 . 1 1 47 47 ASP N N 47 116.880 116.880 117.044 -0.164 18269
6872 1 15 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.592 0.318 18269
6873 1 15 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.620 -2.035 18269
6874 1 15 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.693 -1.318 18269
6875 1 15 . 1 1 47 47 ASP H H 47 7.852 7.852 7.807 0.045 18269
6876 1 15 . 1 1 48 48 THR N N 48 108.053 108.053 114.928 -6.875 18269
6877 1 15 . 1 1 48 48 THR HA H 48 4.461 4.461 4.142 0.319 18269
6878 1 15 . 1 1 48 48 THR CA C 48 60.844 60.844 62.155 -1.311 18269
6879 1 15 . 1 1 48 48 THR CB C 48 73.395 73.395 69.706 3.689 18269
6880 1 15 . 1 1 48 48 THR H H 48 7.139 7.139 7.516 -0.377 18269
6881 1 15 . 1 1 49 49 LYS N N 49 118.308 118.308 119.417 -1.109 18269
6882 1 15 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.528 0.190 18269
6883 1 15 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.793 -0.749 18269
6884 1 15 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.440 3.130 18269
6885 1 15 . 1 1 49 49 LYS H H 49 8.755 8.755 9.232 -0.477 18269
6886 1 15 . 1 1 50 50 GLY N N 50 108.996 108.996 110.283 -1.287 18269
6887 1 15 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.925 -1.082 18269
6888 1 15 . 1 1 50 50 GLY H H 50 8.866 8.866 8.710 0.156 18269
6889 1 15 . 1 1 51 51 LYS N N 51 126.155 126.155 121.113 5.042 18269
6890 1 15 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.041 -0.071 18269
6891 1 15 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.258 -1.147 18269
6892 1 15 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.868 0.751 18269
6893 1 15 . 1 1 51 51 LYS H H 51 9.254 9.254 8.766 0.488 18269
6894 1 15 . 1 1 52 52 GLU N N 52 116.496 116.496 119.168 -2.672 18269
6895 1 15 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.210 -0.687 18269
6896 1 15 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.096 0.294 18269
6897 1 15 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.948 -1.262 18269
6898 1 15 . 1 1 52 52 GLU H H 52 8.223 8.223 8.094 0.129 18269
6899 1 15 . 1 1 53 53 ASN N N 53 119.000 119.000 119.369 -0.369 18269
6900 1 15 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.724 -0.340 18269
6901 1 15 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.909 1.069 18269
6902 1 15 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.670 0.776 18269
6903 1 15 . 1 1 53 53 ASN H H 53 6.840 6.840 8.795 -1.955 18269
6904 1 15 . 1 1 54 54 ARG N N 54 118.480 118.480 118.911 -0.431 18269
6905 1 15 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.518 -0.749 18269
6906 1 15 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.415 -0.018 18269
6907 1 15 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.231 -1.491 18269
6908 1 15 . 1 1 54 54 ARG H H 54 7.456 7.456 7.967 -0.511 18269
6909 1 15 . 1 1 55 55 LEU N N 55 118.688 118.688 121.765 -3.077 18269
6910 1 15 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.437 -0.629 18269
6911 1 15 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.011 0.448 18269
6912 1 15 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.792 -1.672 18269
6913 1 15 . 1 1 55 55 LEU H H 55 7.843 7.843 7.871 -0.028 18269
6914 1 15 . 1 1 56 56 CYS N N 56 115.905 115.905 118.852 -2.947 18269
6915 1 15 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.789 0.084 18269
6916 1 15 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.661 1.376 18269
6917 1 15 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.658 17.247 18269
6918 1 15 . 1 1 56 56 CYS H H 56 7.752 7.752 7.810 -0.058 18269
6919 1 15 . 1 1 57 57 TYR N N 57 121.810 121.810 116.933 4.877 18269
6920 1 15 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.170 -0.027 18269
6921 1 15 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.738 0.577 18269
6922 1 15 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.515 -0.461 18269
6923 1 15 . 1 1 57 57 TYR H H 57 7.911 7.911 7.532 0.379 18269
6924 1 15 . 1 1 58 58 TYR N N 58 121.916 121.916 117.027 4.889 18269
6925 1 15 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.364 0.011 18269
6926 1 15 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.878 -1.869 18269
6927 1 15 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.636 -0.612 18269
6928 1 15 . 1 1 58 58 TYR H H 58 8.334 8.334 7.784 0.550 18269
6929 1 15 . 1 1 59 59 LEU N N 59 114.461 114.461 116.719 -2.258 18269
6930 1 15 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.112 0.008 18269
6931 1 15 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.676 -0.447 18269
6932 1 15 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.122 -0.077 18269
6933 1 15 . 1 1 59 59 LEU H H 59 8.079 8.079 7.610 0.469 18269
6934 1 15 . 1 1 60 60 GLY N N 60 102.559 102.559 104.851 -2.292 18269
6935 1 15 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.112 0.460 18269
6936 1 15 . 1 1 60 60 GLY H H 60 7.562 7.562 8.180 -0.618 18269
6937 1 15 . 1 1 61 61 ALA N N 61 120.327 120.327 124.306 -3.979 18269
6938 1 15 . 1 1 61 61 ALA HA H 61 4.401 4.401 3.861 0.540 18269
6939 1 15 . 1 1 61 61 ALA CA C 61 51.265 51.265 53.186 -1.921 18269
6940 1 15 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.980 2.357 18269
6941 1 15 . 1 1 61 61 ALA H H 61 7.995 7.995 8.362 -0.367 18269
6942 1 15 . 1 1 62 62 THR N N 62 106.895 106.895 107.161 -0.266 18269
6943 1 15 . 1 1 62 62 THR HA H 62 4.518 4.518 4.510 0.008 18269
6944 1 15 . 1 1 62 62 THR CA C 62 59.982 59.982 60.253 -0.271 18269
6945 1 15 . 1 1 62 62 THR CB C 62 70.540 70.540 72.115 -1.575 18269
6946 1 15 . 1 1 62 62 THR H H 62 7.156 7.156 7.585 -0.429 18269
6947 1 15 . 1 1 63 63 LYS N N 63 121.251 121.251 122.817 -1.566 18269
6948 1 15 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.292 -0.195 18269
6949 1 15 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.511 1.761 18269
6950 1 15 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.871 0.284 18269
6951 1 15 . 1 1 63 63 LYS H H 63 8.626 8.626 8.573 0.053 18269
6952 1 15 . 1 1 64 64 ASP N N 64 116.607 116.607 119.339 -2.732 18269
6953 1 15 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.641 -0.084 18269
6954 1 15 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.825 -0.923 18269
6955 1 15 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.841 -2.735 18269
6956 1 15 . 1 1 64 64 ASP H H 64 8.441 8.441 7.921 0.520 18269
6957 1 15 . 1 1 65 65 ALA N N 65 122.486 122.486 123.808 -1.322 18269
6958 1 15 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.686 -0.601 18269
6959 1 15 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.097 1.452 18269
6960 1 15 . 1 1 65 65 ALA CB C 65 19.557 19.557 18.961 0.596 18269
6961 1 15 . 1 1 65 65 ALA H H 65 7.368 7.368 7.479 -0.111 18269
6962 1 15 . 1 1 66 66 ALA N N 66 124.171 124.171 126.681 -2.510 18269
6963 1 15 . 1 1 66 66 ALA HA H 66 4.444 4.444 3.985 0.459 18269
6964 1 15 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.312 0.159 18269
6965 1 15 . 1 1 66 66 ALA CB C 66 19.265 19.265 17.738 1.527 18269
6966 1 15 . 1 1 66 66 ALA H H 66 8.300 8.300 8.860 -0.560 18269
6967 1 15 . 1 1 67 67 THR N N 67 111.638 111.638 115.155 -3.517 18269
6968 1 15 . 1 1 67 67 THR HA H 67 4.496 4.496 3.978 0.518 18269
6969 1 15 . 1 1 67 67 THR CA C 67 60.881 60.881 65.168 -4.287 18269
6970 1 15 . 1 1 67 67 THR CB C 67 70.199 70.199 69.033 1.166 18269
6971 1 15 . 1 1 67 67 THR H H 67 7.730 7.730 8.516 -0.786 18269
6972 1 15 . 1 1 68 68 LYS N N 68 121.732 121.732 122.206 -0.474 18269
6973 1 15 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.101 0.435 18269
6974 1 15 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.793 -2.231 18269
6975 1 15 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.220 0.879 18269
6976 1 15 . 1 1 68 68 LYS H H 68 8.502 8.502 8.046 0.456 18269
6977 1 15 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.826 0.513 18269
6978 1 15 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.520 -1.813 18269
6979 1 15 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.994 -0.194 18269
6980 1 15 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.953 0.178 18269
6981 1 15 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.560 0.056 18269
6982 1 15 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.466 0.272 18269
6983 1 15 . 1 1 71 71 SER HA H 71 4.817 4.817 4.264 0.553 18269
6984 1 15 . 1 1 71 71 SER CA C 71 60.667 60.667 61.359 -0.692 18269
6985 1 15 . 1 1 71 71 SER CB C 71 62.646 62.646 62.775 -0.129 18269
6986 1 15 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.138 0.126 18269
6987 1 15 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.830 -2.201 18269
6988 1 15 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.434 -1.187 18269
6989 1 15 . 1 1 73 73 VAL N N 73 114.786 114.786 119.288 -4.502 18269
6990 1 15 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.767 0.335 18269
6991 1 15 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.131 -2.390 18269
6992 1 15 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.555 2.710 18269
6993 1 15 . 1 1 73 73 VAL H H 73 7.812 7.812 8.554 -0.742 18269
6994 1 15 . 1 1 74 74 THR HA H 74 3.767 3.767 3.903 -0.136 18269
6995 1 15 . 1 1 74 74 THR CA C 74 65.584 65.584 66.175 -0.591 18269
6996 1 15 . 1 1 74 74 THR CB C 74 67.470 67.470 68.513 -1.043 18269
6997 1 15 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.205 0.041 18269
6998 1 15 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.192 1.191 18269
6999 1 15 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.779 0.841 18269
7000 1 15 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.359 0.126 18269
7001 1 15 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.145 0.552 18269
7002 1 15 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.490 -0.595 18269
7003 1 15 . 1 1 77 77 MET N N 77 117.583 117.583 118.194 -0.611 18269
7004 1 15 . 1 1 77 77 MET HA H 77 4.684 4.684 4.352 0.332 18269
7005 1 15 . 1 1 77 77 MET CA C 77 59.347 59.347 56.474 2.873 18269
7006 1 15 . 1 1 77 77 MET CB C 77 32.996 32.996 32.205 0.791 18269
7007 1 15 . 1 1 77 77 MET H H 77 7.685 7.685 8.304 -0.619 18269
7008 1 15 . 1 1 78 78 SER N N 78 114.578 114.578 112.770 1.808 18269
7009 1 15 . 1 1 78 78 SER HA H 78 4.226 4.226 4.199 0.027 18269
7010 1 15 . 1 1 78 78 SER CA C 78 61.922 61.922 60.029 1.893 18269
7011 1 15 . 1 1 78 78 SER CB C 78 62.406 62.406 63.458 -1.052 18269
7012 1 15 . 1 1 78 78 SER H H 78 8.285 8.285 7.625 0.660 18269
7013 1 15 . 1 1 79 79 VAL N N 79 111.248 111.248 118.442 -7.194 18269
7014 1 15 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.089 0.662 18269
7015 1 15 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.985 0.141 18269
7016 1 15 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.806 -4.460 18269
7017 1 15 . 1 1 79 79 VAL H H 79 7.004 7.004 7.147 -0.143 18269
7018 1 15 . 1 1 80 80 HIS N N 80 116.703 116.703 123.433 -6.730 18269
7019 1 15 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.579 -0.463 18269
7020 1 15 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.908 -0.082 18269
7021 1 15 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.643 -3.754 18269
7022 1 15 . 1 1 80 80 HIS H H 80 8.289 8.289 8.066 0.223 18269
7023 1 15 . 1 1 81 81 MET N N 81 120.978 120.978 123.700 -2.722 18269
7024 1 15 . 1 1 81 81 MET HA H 81 4.512 4.512 4.825 -0.313 18269
7025 1 15 . 1 1 81 81 MET CA C 81 55.007 55.007 52.712 2.296 18269
7026 1 15 . 1 1 81 81 MET CB C 81 33.265 33.265 34.084 -0.819 18269
7027 1 15 . 1 1 81 81 MET H H 81 8.006 8.006 8.361 -0.355 18269
7028 1 15 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.232 0.109 18269
7029 1 15 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.591 -1.355 18269
7030 1 15 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.513 2.150 18269
7031 1 15 . 1 1 83 83 ALA N N 83 126.545 126.545 121.846 4.699 18269
7032 1 15 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.921 0.025 18269
7033 1 15 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.478 0.495 18269
7034 1 15 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.470 1.005 18269
7035 1 15 . 1 1 83 83 ALA H H 83 9.196 9.196 8.371 0.825 18269
7036 1 15 . 1 1 84 84 MET N N 84 114.734 114.734 116.351 -1.617 18269
7037 1 15 . 1 1 84 84 MET HA H 84 4.024 4.024 4.591 -0.567 18269
7038 1 15 . 1 1 84 84 MET CA C 84 58.812 58.812 57.435 1.377 18269
7039 1 15 . 1 1 84 84 MET CB C 84 32.242 32.242 31.162 1.081 18269
7040 1 15 . 1 1 84 84 MET H H 84 9.289 9.289 7.993 1.296 18269
7041 1 15 . 1 1 85 85 LYS N N 85 116.490 116.490 119.647 -3.157 18269
7042 1 15 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.156 0.018 18269
7043 1 15 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.160 -0.044 18269
7044 1 15 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.471 -0.678 18269
7045 1 15 . 1 1 85 85 LYS H H 85 6.997 6.997 8.696 -1.699 18269
7046 1 15 . 1 1 86 86 ILE N N 86 120.561 120.561 120.737 -0.176 18269
7047 1 15 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.739 -0.124 18269
7048 1 15 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.837 1.441 18269
7049 1 15 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.997 -0.477 18269
7050 1 15 . 1 1 86 86 ILE H H 86 7.875 7.875 7.422 0.453 18269
7051 1 15 . 1 1 87 87 CYS N N 87 117.323 117.323 118.448 -1.125 18269
7052 1 15 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.101 -0.025 18269
7053 1 15 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.200 -1.140 18269
7054 1 15 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.784 16.949 18269
7055 1 15 . 1 1 87 87 CYS H H 87 8.643 8.643 8.060 0.583 18269
7056 1 15 . 1 1 88 88 GLU N N 88 118.070 118.070 120.960 -2.890 18269
7057 1 15 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.035 -0.087 18269
7058 1 15 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.123 0.640 18269
7059 1 15 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.389 0.376 18269
7060 1 15 . 1 1 88 88 GLU H H 88 8.045 8.045 7.818 0.227 18269
7061 1 15 . 1 1 89 89 LYS N N 89 119.719 119.719 119.591 0.128 18269
7062 1 15 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.083 0.055 18269
7063 1 15 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.969 0.161 18269
7064 1 15 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.347 -0.644 18269
7065 1 15 . 1 1 89 89 LYS H H 89 7.530 7.530 8.080 -0.550 18269
7066 1 15 . 1 1 90 90 LEU N N 90 119.550 119.550 119.880 -0.330 18269
7067 1 15 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.066 -0.101 18269
7068 1 15 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.873 0.470 18269
7069 1 15 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.498 -0.507 18269
7070 1 15 . 1 1 90 90 LEU H H 90 8.422 8.422 7.903 0.519 18269
7071 1 15 . 1 1 91 91 LYS N N 91 119.180 119.180 119.803 -0.623 18269
7072 1 15 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.280 -0.418 18269
7073 1 15 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.062 -0.457 18269
7074 1 15 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.003 0.474 18269
7075 1 15 . 1 1 91 91 LYS H H 91 8.218 8.218 7.621 0.597 18269
7076 1 15 . 1 1 92 92 LYS N N 92 113.632 113.632 118.090 -4.458 18269
7077 1 15 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.189 -0.137 18269
7078 1 15 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.779 -0.221 18269
7079 1 15 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.044 -0.110 18269
7080 1 15 . 1 1 92 92 LYS H H 92 6.984 6.984 7.687 -0.703 18269
7081 1 15 . 1 1 93 93 LEU N N 93 119.104 119.104 118.280 0.824 18269
7082 1 15 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.384 -0.094 18269
7083 1 15 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.049 0.055 18269
7084 1 15 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.581 -1.478 18269
7085 1 15 . 1 1 93 93 LEU H H 93 7.456 7.456 7.576 -0.120 18269
7086 1 15 . 1 1 94 94 ASP N N 94 116.790 116.790 119.008 -2.218 18269
7087 1 15 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.776 -0.220 18269
7088 1 15 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.645 0.721 18269
7089 1 15 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.653 -1.480 18269
7090 1 15 . 1 1 94 94 ASP H H 94 7.911 7.911 8.368 -0.457 18269
7091 1 15 . 1 1 95 95 SER N N 95 122.399 122.399 121.599 0.800 18269
7092 1 15 . 1 1 95 95 SER HA H 95 4.186 4.186 4.398 -0.212 18269
7093 1 15 . 1 1 95 95 SER CA C 95 61.472 61.472 60.097 1.375 18269
7094 1 15 . 1 1 95 95 SER CB C 95 62.568 62.568 63.409 -0.841 18269
7095 1 15 . 1 1 95 95 SER H H 95 8.894 8.894 8.791 0.103 18269
7096 1 15 . 1 1 96 96 GLN N N 96 120.800 120.800 123.123 -2.323 18269
7097 1 15 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.128 -0.266 18269
7098 1 15 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.043 0.108 18269
7099 1 15 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.374 0.043 18269
7100 1 15 . 1 1 96 96 GLN H H 96 8.610 8.610 7.974 0.636 18269
7101 1 15 . 1 1 97 97 ILE N N 97 117.387 117.387 120.190 -2.803 18269
7102 1 15 . 1 1 97 97 ILE HA H 97 3.399 3.399 2.848 0.551 18269
7103 1 15 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.627 1.204 18269
7104 1 15 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.617 0.657 18269
7105 1 15 . 1 1 97 97 ILE H H 97 7.470 7.470 7.959 -0.489 18269
7106 1 15 . 1 1 98 98 CYS N N 98 113.485 113.485 113.962 -0.477 18269
7107 1 15 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.423 0.648 18269
7108 1 15 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.925 3.048 18269
7109 1 15 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.366 22.220 18269
7110 1 15 . 1 1 98 98 CYS H H 98 7.410 7.410 7.694 -0.284 18269
7111 1 15 . 1 1 99 99 GLU N N 99 119.123 119.123 119.545 -0.422 18269
7112 1 15 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.339 -0.016 18269
7113 1 15 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.846 0.880 18269
7114 1 15 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.896 1.083 18269
7115 1 15 . 1 1 99 99 GLU H H 99 7.308 7.308 7.598 -0.290 18269
7116 1 15 . 1 1 100 100 LEU N N 100 115.771 115.771 121.256 -5.485 18269
7117 1 15 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.095 0.202 18269
7118 1 15 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.344 -0.662 18269
7119 1 15 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.702 0.259 18269
7120 1 15 . 1 1 100 100 LEU H H 100 6.496 6.496 7.368 -0.872 18269
7121 1 15 . 1 1 101 101 LYS N N 101 125.672 125.672 112.008 13.664 18269
7122 1 15 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.109 0.485 18269
7123 1 15 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.919 -1.569 18269
7124 1 15 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.186 4.537 18269
7125 1 15 . 1 1 101 101 LYS H H 101 8.575 8.575 7.741 0.834 18269
7126 1 15 . 1 1 102 102 TYR N N 102 120.395 120.395 122.173 -1.778 18269
7127 1 15 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.388 -0.006 18269
7128 1 15 . 1 1 102 102 TYR CA C 102 60.024 60.024 60.612 -0.588 18269
7129 1 15 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.036 -0.708 18269
7130 1 15 . 1 1 102 102 TYR H H 102 8.756 8.756 8.981 -0.225 18269
7131 1 15 . 1 1 103 103 GLU N N 103 121.550 121.550 115.241 6.309 18269
7132 1 15 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.539 -0.147 18269
7133 1 15 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.038 0.289 18269
7134 1 15 . 1 1 103 103 GLU CB C 103 30.302 30.302 30.122 0.180 18269
7135 1 15 . 1 1 103 103 GLU H H 103 8.835 8.835 8.575 0.260 18269
7136 1 15 . 1 1 104 104 LYS N N 104 122.957 122.957 119.841 3.116 18269
7137 1 15 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.275 0.186 18269
7138 1 15 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.843 -1.569 18269
7139 1 15 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.075 -0.028 18269
7140 1 15 . 1 1 104 104 LYS H H 104 8.490 8.490 8.182 0.308 18269
7141 1 16 . 1 1 2 2 GLU N N 2 121.590 121.590 124.138 -2.548 18269
7142 1 16 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.426 -0.132 18269
7143 1 16 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.230 -0.713 18269
7144 1 16 . 1 1 2 2 GLU CB C 2 30.151 30.151 31.539 -1.388 18269
7145 1 16 . 1 1 2 2 GLU H H 2 8.621 8.621 8.659 -0.038 18269
7146 1 16 . 1 1 3 3 ALA N N 3 125.815 125.815 125.000 0.815 18269
7147 1 16 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.748 -0.382 18269
7148 1 16 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.069 0.588 18269
7149 1 16 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.047 -1.100 18269
7150 1 16 . 1 1 3 3 ALA H H 3 8.598 8.598 8.542 0.056 18269
7151 1 16 . 1 1 4 4 GLY N N 4 108.386 108.386 111.310 -2.924 18269
7152 1 16 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.144 -1.007 18269
7153 1 16 . 1 1 4 4 GLY H H 4 8.487 8.487 8.758 -0.271 18269
7154 1 16 . 1 1 5 5 GLY N N 5 108.367 108.367 107.826 0.541 18269
7155 1 16 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.346 0.409 18269
7156 1 16 . 1 1 5 5 GLY H H 5 8.274 8.274 7.733 0.541 18269
7157 1 16 . 1 1 6 6 ARG N N 6 121.577 121.577 119.343 2.234 18269
7158 1 16 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.742 -0.067 18269
7159 1 16 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.647 0.234 18269
7160 1 16 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.255 -0.119 18269
7161 1 16 . 1 1 6 6 ARG H H 6 8.297 8.297 8.401 -0.104 18269
7162 1 16 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.734 -0.242 18269
7163 1 16 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.005 1.348 18269
7164 1 16 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.719 1.328 18269
7165 1 16 . 1 1 8 8 GLY N N 8 109.658 109.658 107.906 1.752 18269
7166 1 16 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.432 -1.344 18269
7167 1 16 . 1 1 8 8 GLY H H 8 8.660 8.660 7.954 0.706 18269
7168 1 16 . 1 1 9 9 ALA N N 9 123.995 123.995 119.452 4.543 18269
7169 1 16 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.443 -0.003 18269
7170 1 16 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.778 -0.980 18269
7171 1 16 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.101 0.178 18269
7172 1 16 . 1 1 9 9 ALA H H 9 8.200 8.200 7.945 0.255 18269
7173 1 16 . 1 1 10 10 ASP N N 10 119.834 119.834 117.769 2.065 18269
7174 1 16 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.659 -0.002 18269
7175 1 16 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.171 -0.631 18269
7176 1 16 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.240 -0.734 18269
7177 1 16 . 1 1 10 10 ASP H H 10 8.290 8.290 8.409 -0.119 18269
7178 1 16 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.858 -0.228 18269
7179 1 16 . 1 1 11 11 CYS CA C 11 54.758 54.758 56.378 -1.620 18269
7180 1 16 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.142 15.318 18269
7181 1 16 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.836 0.128 18269
7182 1 16 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.068 2.309 18269
7183 1 16 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.549 2.707 18269
7184 1 16 . 1 1 13 13 VAL N N 13 117.224 117.224 119.906 -2.682 18269
7185 1 16 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.777 -0.031 18269
7186 1 16 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.346 -1.300 18269
7187 1 16 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.911 0.307 18269
7188 1 16 . 1 1 13 13 VAL H H 13 7.040 7.040 8.293 -1.253 18269
7189 1 16 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.136 -0.051 18269
7190 1 16 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.778 -0.333 18269
7191 1 16 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.445 15.774 18269
7192 1 16 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.041 0.018 18269
7193 1 16 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.525 -1.954 18269
7194 1 16 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.983 0.268 18269
7195 1 16 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.211 0.120 18269
7196 1 16 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.275 -0.101 18269
7197 1 16 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.292 0.114 18269
7198 1 16 . 1 1 16 16 GLU H H 16 8.098 8.098 7.837 0.261 18269
7199 1 16 . 1 1 17 17 PHE N N 17 120.745 120.745 122.411 -1.666 18269
7200 1 16 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.380 -0.065 18269
7201 1 16 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.088 0.426 18269
7202 1 16 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.261 1.252 18269
7203 1 16 . 1 1 17 17 PHE H H 17 9.126 9.126 8.021 1.105 18269
7204 1 16 . 1 1 18 18 LEU N N 18 115.787 115.787 118.901 -3.114 18269
7205 1 16 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.847 0.296 18269
7206 1 16 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.200 -0.323 18269
7207 1 16 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.497 -0.545 18269
7208 1 16 . 1 1 18 18 LEU H H 18 8.505 8.505 8.180 0.325 18269
7209 1 16 . 1 1 19 19 ASN N N 19 117.635 117.635 117.645 -0.010 18269
7210 1 16 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.335 0.541 18269
7211 1 16 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.708 -0.234 18269
7212 1 16 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.887 -0.559 18269
7213 1 16 . 1 1 19 19 ASN H H 19 8.405 8.405 8.418 -0.013 18269
7214 1 16 . 1 1 20 20 ARG N N 20 122.851 122.851 118.980 3.871 18269
7215 1 16 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.038 0.079 18269
7216 1 16 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.350 0.939 18269
7217 1 16 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.175 0.280 18269
7218 1 16 . 1 1 20 20 ARG H H 20 8.325 8.325 7.750 0.575 18269
7219 1 16 . 1 1 21 21 PHE N N 21 121.774 121.774 121.717 0.057 18269
7220 1 16 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.101 0.179 18269
7221 1 16 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.544 -1.533 18269
7222 1 16 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.410 -0.399 18269
7223 1 16 . 1 1 21 21 PHE H H 21 8.438 8.438 8.216 0.222 18269
7224 1 16 . 1 1 22 22 TYR N N 22 119.937 119.937 119.529 0.408 18269
7225 1 16 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.806 -0.017 18269
7226 1 16 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.803 -0.151 18269
7227 1 16 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.459 -0.185 18269
7228 1 16 . 1 1 22 22 TYR H H 22 8.708 8.708 8.659 0.049 18269
7229 1 16 . 1 1 23 23 LYS N N 23 116.431 116.431 117.546 -1.115 18269
7230 1 16 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.980 -0.121 18269
7231 1 16 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.595 1.548 18269
7232 1 16 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.861 0.356 18269
7233 1 16 . 1 1 23 23 LYS H H 23 7.928 7.928 7.810 0.118 18269
7234 1 16 . 1 1 24 24 SER N N 24 113.888 113.888 116.244 -2.356 18269
7235 1 16 . 1 1 24 24 SER HA H 24 4.325 4.325 4.086 0.239 18269
7236 1 16 . 1 1 24 24 SER CA C 24 61.016 61.016 61.608 -0.592 18269
7237 1 16 . 1 1 24 24 SER CB C 24 62.837 62.837 62.671 0.166 18269
7238 1 16 . 1 1 24 24 SER H H 24 7.665 7.665 8.270 -0.605 18269
7239 1 16 . 1 1 25 25 LEU N N 25 119.663 119.663 121.665 -2.002 18269
7240 1 16 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.998 -0.319 18269
7241 1 16 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.401 0.103 18269
7242 1 16 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.614 0.288 18269
7243 1 16 . 1 1 25 25 LEU H H 25 7.573 7.573 7.966 -0.393 18269
7244 1 16 . 1 1 26 26 ILE N N 26 119.781 119.781 119.030 0.751 18269
7245 1 16 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.767 0.089 18269
7246 1 16 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.070 1.479 18269
7247 1 16 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.721 0.584 18269
7248 1 16 . 1 1 26 26 ILE H H 26 8.094 8.094 7.328 0.766 18269
7249 1 16 . 1 1 27 27 ASP N N 27 122.421 122.421 121.303 1.118 18269
7250 1 16 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.354 0.022 18269
7251 1 16 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.784 0.236 18269
7252 1 16 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.058 -0.978 18269
7253 1 16 . 1 1 27 27 ASP H H 27 9.091 9.091 8.121 0.970 18269
7254 1 16 . 1 1 28 28 ARG N N 28 115.349 115.349 117.272 -1.923 18269
7255 1 16 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.256 0.049 18269
7256 1 16 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.784 -0.286 18269
7257 1 16 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.813 0.800 18269
7258 1 16 . 1 1 28 28 ARG H H 28 7.587 7.587 8.158 -0.571 18269
7259 1 16 . 1 1 29 29 GLY N N 29 109.999 109.999 107.179 2.820 18269
7260 1 16 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.326 1.335 18269
7261 1 16 . 1 1 29 29 GLY H H 29 7.909 7.909 7.653 0.256 18269
7262 1 16 . 1 1 30 30 VAL N N 30 118.740 118.740 115.747 2.993 18269
7263 1 16 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.357 -0.598 18269
7264 1 16 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.013 2.458 18269
7265 1 16 . 1 1 30 30 VAL CB C 30 32.326 32.326 33.249 -0.923 18269
7266 1 16 . 1 1 30 30 VAL H H 30 7.701 7.701 7.452 0.249 18269
7267 1 16 . 1 1 31 31 ASN N N 31 123.250 123.250 116.738 6.512 18269
7268 1 16 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.275 0.438 18269
7269 1 16 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.615 -0.127 18269
7270 1 16 . 1 1 31 31 ASN CB C 31 39.211 39.211 38.566 0.645 18269
7271 1 16 . 1 1 31 31 ASN H H 31 8.498 8.498 8.180 0.318 18269
7272 1 16 . 1 1 32 32 PHE N N 32 126.076 126.076 116.855 9.221 18269
7273 1 16 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.149 -0.011 18269
7274 1 16 . 1 1 32 32 PHE CA C 32 58.647 58.647 61.130 -2.483 18269
7275 1 16 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.286 -1.507 18269
7276 1 16 . 1 1 32 32 PHE H H 32 8.783 8.783 8.809 -0.026 18269
7277 1 16 . 1 1 33 33 SER N N 33 115.958 115.958 118.802 -2.844 18269
7278 1 16 . 1 1 33 33 SER HA H 33 4.736 4.736 4.382 0.354 18269
7279 1 16 . 1 1 33 33 SER CA C 33 56.745 56.745 59.094 -2.349 18269
7280 1 16 . 1 1 33 33 SER CB C 33 64.899 64.899 63.431 1.468 18269
7281 1 16 . 1 1 33 33 SER H H 33 7.699 7.699 8.106 -0.407 18269
7282 1 16 . 1 1 34 34 LEU N N 34 124.359 124.359 128.932 -4.573 18269
7283 1 16 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.874 -0.021 18269
7284 1 16 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.340 1.331 18269
7285 1 16 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.434 0.112 18269
7286 1 16 . 1 1 34 34 LEU H H 34 8.935 8.935 8.810 0.125 18269
7287 1 16 . 1 1 35 35 ASP N N 35 115.345 115.345 117.592 -2.247 18269
7288 1 16 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.344 0.034 18269
7289 1 16 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.811 -0.953 18269
7290 1 16 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.581 -0.421 18269
7291 1 16 . 1 1 35 35 ASP H H 35 8.575 8.575 8.601 -0.026 18269
7292 1 16 . 1 1 36 36 THR N N 36 116.789 116.789 117.109 -0.320 18269
7293 1 16 . 1 1 36 36 THR HA H 36 4.015 4.015 4.175 -0.160 18269
7294 1 16 . 1 1 36 36 THR CA C 36 66.069 66.069 66.384 -0.315 18269
7295 1 16 . 1 1 36 36 THR CB C 36 68.780 68.780 68.757 0.023 18269
7296 1 16 . 1 1 36 36 THR H H 36 7.593 7.593 7.255 0.338 18269
7297 1 16 . 1 1 37 37 ILE N N 37 120.685 120.685 121.313 -0.628 18269
7298 1 16 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.708 -0.339 18269
7299 1 16 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.611 0.189 18269
7300 1 16 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.402 -0.311 18269
7301 1 16 . 1 1 37 37 ILE H H 37 8.436 8.436 8.746 -0.310 18269
7302 1 16 . 1 1 38 38 GLU N N 38 118.792 118.792 120.772 -1.980 18269
7303 1 16 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.914 -0.236 18269
7304 1 16 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.825 1.235 18269
7305 1 16 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.603 0.268 18269
7306 1 16 . 1 1 38 38 GLU H H 38 8.122 8.122 8.131 -0.009 18269
7307 1 16 . 1 1 39 39 LYS N N 39 116.986 116.986 119.890 -2.904 18269
7308 1 16 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.024 -0.063 18269
7309 1 16 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.048 0.697 18269
7310 1 16 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.279 0.031 18269
7311 1 16 . 1 1 39 39 LYS H H 39 7.586 7.586 7.728 -0.142 18269
7312 1 16 . 1 1 40 40 GLU N N 40 117.892 117.892 119.193 -1.301 18269
7313 1 16 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.252 -0.047 18269
7314 1 16 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.954 -0.595 18269
7315 1 16 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.721 -1.142 18269
7316 1 16 . 1 1 40 40 GLU H H 40 8.690 8.690 8.310 0.380 18269
7317 1 16 . 1 1 41 41 LEU N N 41 125.830 125.830 122.156 3.674 18269
7318 1 16 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.831 -0.284 18269
7319 1 16 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.033 -0.205 18269
7320 1 16 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.715 -1.377 18269
7321 1 16 . 1 1 41 41 LEU H H 41 8.978 8.978 7.937 1.041 18269
7322 1 16 . 1 1 42 42 ILE N N 42 119.900 119.900 120.146 -0.246 18269
7323 1 16 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.847 -0.263 18269
7324 1 16 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.249 1.583 18269
7325 1 16 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.670 0.120 18269
7326 1 16 . 1 1 42 42 ILE H H 42 7.884 7.884 8.078 -0.194 18269
7327 1 16 . 1 1 43 43 SER N N 43 114.071 114.071 116.580 -2.509 18269
7328 1 16 . 1 1 43 43 SER HA H 43 4.277 4.277 4.166 0.111 18269
7329 1 16 . 1 1 43 43 SER CA C 43 61.598 61.598 61.736 -0.138 18269
7330 1 16 . 1 1 43 43 SER CB C 43 62.767 62.767 62.769 -0.002 18269
7331 1 16 . 1 1 43 43 SER H H 43 7.791 7.791 8.634 -0.843 18269
7332 1 16 . 1 1 44 44 PHE N N 44 125.036 125.036 122.370 2.666 18269
7333 1 16 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.271 0.058 18269
7334 1 16 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.676 -0.419 18269
7335 1 16 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.415 1.216 18269
7336 1 16 . 1 1 44 44 PHE H H 44 9.060 9.060 8.372 0.688 18269
7337 1 16 . 1 1 45 45 CYS N N 45 112.824 112.824 119.465 -6.641 18269
7338 1 16 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.548 0.058 18269
7339 1 16 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.549 -2.313 18269
7340 1 16 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.355 16.267 18269
7341 1 16 . 1 1 45 45 CYS H H 45 8.254 8.254 8.161 0.093 18269
7342 1 16 . 1 1 46 46 LEU N N 46 123.875 123.875 118.784 5.091 18269
7343 1 16 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.231 -0.056 18269
7344 1 16 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.686 1.465 18269
7345 1 16 . 1 1 46 46 LEU CB C 46 42.252 42.252 40.607 1.645 18269
7346 1 16 . 1 1 46 46 LEU H H 46 7.776 7.776 8.624 -0.848 18269
7347 1 16 . 1 1 47 47 ASP N N 47 116.880 116.880 117.227 -0.347 18269
7348 1 16 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.554 0.356 18269
7349 1 16 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.589 -2.003 18269
7350 1 16 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.721 -1.346 18269
7351 1 16 . 1 1 47 47 ASP H H 47 7.852 7.852 7.637 0.215 18269
7352 1 16 . 1 1 48 48 THR N N 48 108.053 108.053 114.772 -6.719 18269
7353 1 16 . 1 1 48 48 THR HA H 48 4.461 4.461 4.288 0.173 18269
7354 1 16 . 1 1 48 48 THR CA C 48 60.844 60.844 61.949 -1.105 18269
7355 1 16 . 1 1 48 48 THR CB C 48 73.395 73.395 69.614 3.781 18269
7356 1 16 . 1 1 48 48 THR H H 48 7.139 7.139 7.347 -0.208 18269
7357 1 16 . 1 1 49 49 LYS N N 49 118.308 118.308 119.392 -1.084 18269
7358 1 16 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.529 0.189 18269
7359 1 16 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.584 -1.540 18269
7360 1 16 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.648 2.922 18269
7361 1 16 . 1 1 49 49 LYS H H 49 8.755 8.755 9.213 -0.458 18269
7362 1 16 . 1 1 50 50 GLY N N 50 108.996 108.996 110.168 -1.172 18269
7363 1 16 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.618 -0.775 18269
7364 1 16 . 1 1 50 50 GLY H H 50 8.866 8.866 8.647 0.219 18269
7365 1 16 . 1 1 51 51 LYS N N 51 126.155 126.155 122.140 4.015 18269
7366 1 16 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.032 -0.062 18269
7367 1 16 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.044 -0.934 18269
7368 1 16 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.070 0.549 18269
7369 1 16 . 1 1 51 51 LYS H H 51 9.254 9.254 8.727 0.527 18269
7370 1 16 . 1 1 52 52 GLU N N 52 116.496 116.496 118.143 -1.647 18269
7371 1 16 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.058 -0.535 18269
7372 1 16 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.199 0.191 18269
7373 1 16 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.732 -1.046 18269
7374 1 16 . 1 1 52 52 GLU H H 52 8.223 8.223 7.903 0.320 18269
7375 1 16 . 1 1 53 53 ASN N N 53 119.000 119.000 119.441 -0.441 18269
7376 1 16 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.553 -0.169 18269
7377 1 16 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.687 1.291 18269
7378 1 16 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.553 0.893 18269
7379 1 16 . 1 1 53 53 ASN H H 53 6.840 6.840 8.628 -1.788 18269
7380 1 16 . 1 1 54 54 ARG N N 54 118.480 118.480 120.918 -2.438 18269
7381 1 16 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.358 -0.589 18269
7382 1 16 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.264 -0.867 18269
7383 1 16 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.795 -1.055 18269
7384 1 16 . 1 1 54 54 ARG H H 54 7.456 7.456 8.509 -1.053 18269
7385 1 16 . 1 1 55 55 LEU N N 55 118.688 118.688 120.871 -2.183 18269
7386 1 16 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.126 -0.318 18269
7387 1 16 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.042 0.417 18269
7388 1 16 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.826 -1.706 18269
7389 1 16 . 1 1 55 55 LEU H H 55 7.843 7.843 7.858 -0.015 18269
7390 1 16 . 1 1 56 56 CYS N N 56 115.905 115.905 116.978 -1.073 18269
7391 1 16 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.997 -0.124 18269
7392 1 16 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.717 1.320 18269
7393 1 16 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.261 16.644 18269
7394 1 16 . 1 1 56 56 CYS H H 56 7.752 7.752 7.535 0.217 18269
7395 1 16 . 1 1 57 57 TYR N N 57 121.810 121.810 119.530 2.280 18269
7396 1 16 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.028 0.115 18269
7397 1 16 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.282 0.033 18269
7398 1 16 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.304 -0.250 18269
7399 1 16 . 1 1 57 57 TYR H H 57 7.911 7.911 7.607 0.304 18269
7400 1 16 . 1 1 58 58 TYR N N 58 121.916 121.916 116.113 5.803 18269
7401 1 16 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.380 -0.005 18269
7402 1 16 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.337 -1.328 18269
7403 1 16 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.410 -0.386 18269
7404 1 16 . 1 1 58 58 TYR H H 58 8.334 8.334 7.361 0.973 18269
7405 1 16 . 1 1 59 59 LEU N N 59 114.461 114.461 116.743 -2.282 18269
7406 1 16 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.945 0.175 18269
7407 1 16 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.713 -1.484 18269
7408 1 16 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.264 -0.219 18269
7409 1 16 . 1 1 59 59 LEU H H 59 8.079 8.079 8.360 -0.281 18269
7410 1 16 . 1 1 60 60 GLY N N 60 102.559 102.559 103.462 -0.903 18269
7411 1 16 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.160 0.412 18269
7412 1 16 . 1 1 60 60 GLY H H 60 7.562 7.562 7.804 -0.242 18269
7413 1 16 . 1 1 61 61 ALA N N 61 120.327 120.327 124.913 -4.586 18269
7414 1 16 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.323 0.078 18269
7415 1 16 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.155 -0.890 18269
7416 1 16 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.450 2.887 18269
7417 1 16 . 1 1 61 61 ALA H H 61 7.995 7.995 7.832 0.163 18269
7418 1 16 . 1 1 62 62 THR N N 62 106.895 106.895 114.370 -7.475 18269
7419 1 16 . 1 1 62 62 THR HA H 62 4.518 4.518 4.393 0.125 18269
7420 1 16 . 1 1 62 62 THR CA C 62 59.982 59.982 61.388 -1.406 18269
7421 1 16 . 1 1 62 62 THR CB C 62 70.540 70.540 71.744 -1.204 18269
7422 1 16 . 1 1 62 62 THR H H 62 7.156 7.156 7.955 -0.799 18269
7423 1 16 . 1 1 63 63 LYS N N 63 121.251 121.251 126.645 -5.394 18269
7424 1 16 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.195 -0.098 18269
7425 1 16 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.093 1.179 18269
7426 1 16 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.715 0.440 18269
7427 1 16 . 1 1 63 63 LYS H H 63 8.626 8.626 8.831 -0.205 18269
7428 1 16 . 1 1 64 64 ASP N N 64 116.607 116.607 118.299 -1.692 18269
7429 1 16 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.722 -0.165 18269
7430 1 16 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.422 -0.520 18269
7431 1 16 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.639 -2.534 18269
7432 1 16 . 1 1 64 64 ASP H H 64 8.441 8.441 8.158 0.283 18269
7433 1 16 . 1 1 65 65 ALA N N 65 122.486 122.486 122.473 0.013 18269
7434 1 16 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.615 -0.530 18269
7435 1 16 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.704 1.845 18269
7436 1 16 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.717 -1.160 18269
7437 1 16 . 1 1 65 65 ALA H H 65 7.368 7.368 7.593 -0.225 18269
7438 1 16 . 1 1 66 66 ALA N N 66 124.171 124.171 122.603 1.568 18269
7439 1 16 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.373 0.071 18269
7440 1 16 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.483 -0.012 18269
7441 1 16 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.212 0.053 18269
7442 1 16 . 1 1 66 66 ALA H H 66 8.300 8.300 8.483 -0.183 18269
7443 1 16 . 1 1 67 67 THR N N 67 111.638 111.638 117.852 -6.214 18269
7444 1 16 . 1 1 67 67 THR HA H 67 4.496 4.496 4.101 0.395 18269
7445 1 16 . 1 1 67 67 THR CA C 67 60.881 60.881 64.945 -4.064 18269
7446 1 16 . 1 1 67 67 THR CB C 67 70.199 70.199 69.091 1.108 18269
7447 1 16 . 1 1 67 67 THR H H 67 7.730 7.730 8.344 -0.614 18269
7448 1 16 . 1 1 68 68 LYS N N 68 121.732 121.732 122.368 -0.636 18269
7449 1 16 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.144 0.392 18269
7450 1 16 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.868 -2.306 18269
7451 1 16 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.107 0.992 18269
7452 1 16 . 1 1 68 68 LYS H H 68 8.502 8.502 8.257 0.245 18269
7453 1 16 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.812 0.527 18269
7454 1 16 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.579 -1.873 18269
7455 1 16 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.616 0.184 18269
7456 1 16 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.902 0.229 18269
7457 1 16 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.298 0.318 18269
7458 1 16 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.776 -0.038 18269
7459 1 16 . 1 1 71 71 SER HA H 71 4.817 4.817 4.323 0.494 18269
7460 1 16 . 1 1 71 71 SER CA C 71 60.667 60.667 61.297 -0.631 18269
7461 1 16 . 1 1 71 71 SER CB C 71 62.646 62.646 62.556 0.090 18269
7462 1 16 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.127 0.137 18269
7463 1 16 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.752 -2.123 18269
7464 1 16 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.243 -0.996 18269
7465 1 16 . 1 1 73 73 VAL N N 73 114.786 114.786 118.482 -3.696 18269
7466 1 16 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.949 0.153 18269
7467 1 16 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.899 -2.158 18269
7468 1 16 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.635 0.630 18269
7469 1 16 . 1 1 73 73 VAL H H 73 7.812 7.812 7.418 0.394 18269
7470 1 16 . 1 1 74 74 THR HA H 74 3.767 3.767 3.973 -0.206 18269
7471 1 16 . 1 1 74 74 THR CA C 74 65.584 65.584 66.336 -0.752 18269
7472 1 16 . 1 1 74 74 THR CB C 74 67.470 67.470 68.559 -1.089 18269
7473 1 16 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.157 0.089 18269
7474 1 16 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.953 1.430 18269
7475 1 16 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.520 1.100 18269
7476 1 16 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.315 0.170 18269
7477 1 16 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.468 0.229 18269
7478 1 16 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.371 -0.476 18269
7479 1 16 . 1 1 77 77 MET N N 77 117.583 117.583 116.483 1.100 18269
7480 1 16 . 1 1 77 77 MET HA H 77 4.684 4.684 4.354 0.330 18269
7481 1 16 . 1 1 77 77 MET CA C 77 59.347 59.347 56.233 3.114 18269
7482 1 16 . 1 1 77 77 MET CB C 77 32.996 32.996 31.834 1.162 18269
7483 1 16 . 1 1 77 77 MET H H 77 7.685 7.685 8.334 -0.649 18269
7484 1 16 . 1 1 78 78 SER N N 78 114.578 114.578 115.099 -0.521 18269
7485 1 16 . 1 1 78 78 SER HA H 78 4.226 4.226 4.202 0.024 18269
7486 1 16 . 1 1 78 78 SER CA C 78 61.922 61.922 60.445 1.477 18269
7487 1 16 . 1 1 78 78 SER CB C 78 62.406 62.406 63.363 -0.957 18269
7488 1 16 . 1 1 78 78 SER H H 78 8.285 8.285 7.462 0.823 18269
7489 1 16 . 1 1 79 79 VAL N N 79 111.248 111.248 119.093 -7.845 18269
7490 1 16 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.263 0.488 18269
7491 1 16 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.375 0.751 18269
7492 1 16 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.517 -5.171 18269
7493 1 16 . 1 1 79 79 VAL H H 79 7.004 7.004 7.452 -0.448 18269
7494 1 16 . 1 1 80 80 HIS N N 80 116.703 116.703 124.410 -7.707 18269
7495 1 16 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.526 -0.410 18269
7496 1 16 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.426 -0.600 18269
7497 1 16 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.929 -4.040 18269
7498 1 16 . 1 1 80 80 HIS H H 80 8.289 8.289 8.171 0.118 18269
7499 1 16 . 1 1 81 81 MET N N 81 120.978 120.978 123.275 -2.297 18269
7500 1 16 . 1 1 81 81 MET HA H 81 4.512 4.512 4.812 -0.300 18269
7501 1 16 . 1 1 81 81 MET CA C 81 55.007 55.007 52.542 2.465 18269
7502 1 16 . 1 1 81 81 MET CB C 81 33.265 33.265 34.685 -1.420 18269
7503 1 16 . 1 1 81 81 MET H H 81 8.006 8.006 8.974 -0.968 18269
7504 1 16 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.207 0.134 18269
7505 1 16 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.613 -1.377 18269
7506 1 16 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.665 1.998 18269
7507 1 16 . 1 1 83 83 ALA N N 83 126.545 126.545 121.786 4.759 18269
7508 1 16 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.913 0.033 18269
7509 1 16 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.906 1.067 18269
7510 1 16 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.211 1.264 18269
7511 1 16 . 1 1 83 83 ALA H H 83 9.196 9.196 7.932 1.264 18269
7512 1 16 . 1 1 84 84 MET N N 84 114.734 114.734 118.094 -3.360 18269
7513 1 16 . 1 1 84 84 MET HA H 84 4.024 4.024 4.394 -0.370 18269
7514 1 16 . 1 1 84 84 MET CA C 84 58.812 58.812 57.924 0.888 18269
7515 1 16 . 1 1 84 84 MET CB C 84 32.242 32.242 31.672 0.570 18269
7516 1 16 . 1 1 84 84 MET H H 84 9.289 9.289 8.061 1.228 18269
7517 1 16 . 1 1 85 85 LYS N N 85 116.490 116.490 117.520 -1.030 18269
7518 1 16 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.476 -0.302 18269
7519 1 16 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.027 0.089 18269
7520 1 16 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.678 -0.886 18269
7521 1 16 . 1 1 85 85 LYS H H 85 6.997 6.997 8.362 -1.365 18269
7522 1 16 . 1 1 86 86 ILE N N 86 120.561 120.561 120.114 0.447 18269
7523 1 16 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.696 -0.081 18269
7524 1 16 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.532 1.746 18269
7525 1 16 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.818 -0.298 18269
7526 1 16 . 1 1 86 86 ILE H H 86 7.875 7.875 7.561 0.314 18269
7527 1 16 . 1 1 87 87 CYS N N 87 117.323 117.323 119.346 -2.023 18269
7528 1 16 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.083 -0.007 18269
7529 1 16 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.253 -1.193 18269
7530 1 16 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.994 16.739 18269
7531 1 16 . 1 1 87 87 CYS H H 87 8.643 8.643 7.975 0.668 18269
7532 1 16 . 1 1 88 88 GLU N N 88 118.070 118.070 119.460 -1.390 18269
7533 1 16 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.020 -0.072 18269
7534 1 16 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.737 1.026 18269
7535 1 16 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.453 0.311 18269
7536 1 16 . 1 1 88 88 GLU H H 88 8.045 8.045 7.610 0.435 18269
7537 1 16 . 1 1 89 89 LYS N N 89 119.719 119.719 119.365 0.354 18269
7538 1 16 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.080 0.058 18269
7539 1 16 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.171 -0.041 18269
7540 1 16 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.435 -0.732 18269
7541 1 16 . 1 1 89 89 LYS H H 89 7.530 7.530 7.677 -0.147 18269
7542 1 16 . 1 1 90 90 LEU N N 90 119.550 119.550 118.760 0.790 18269
7543 1 16 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.118 -0.153 18269
7544 1 16 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.090 0.253 18269
7545 1 16 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.344 -0.353 18269
7546 1 16 . 1 1 90 90 LEU H H 90 8.422 8.422 7.866 0.556 18269
7547 1 16 . 1 1 91 91 LYS N N 91 119.180 119.180 118.212 0.968 18269
7548 1 16 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.314 -0.452 18269
7549 1 16 . 1 1 91 91 LYS CA C 91 58.605 58.605 57.758 0.847 18269
7550 1 16 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.955 0.522 18269
7551 1 16 . 1 1 91 91 LYS H H 91 8.218 8.218 7.384 0.834 18269
7552 1 16 . 1 1 92 92 LYS N N 92 113.632 113.632 118.071 -4.439 18269
7553 1 16 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.137 -0.084 18269
7554 1 16 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.177 -0.619 18269
7555 1 16 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.633 -0.699 18269
7556 1 16 . 1 1 92 92 LYS H H 92 6.984 6.984 7.441 -0.457 18269
7557 1 16 . 1 1 93 93 LEU N N 93 119.104 119.104 119.654 -0.550 18269
7558 1 16 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.289 0.001 18269
7559 1 16 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.687 -0.583 18269
7560 1 16 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.034 -0.932 18269
7561 1 16 . 1 1 93 93 LEU H H 93 7.456 7.456 7.449 0.007 18269
7562 1 16 . 1 1 94 94 ASP N N 94 116.790 116.790 115.793 0.997 18269
7563 1 16 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.810 -0.254 18269
7564 1 16 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.756 0.610 18269
7565 1 16 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.598 -2.425 18269
7566 1 16 . 1 1 94 94 ASP H H 94 7.911 7.911 8.397 -0.486 18269
7567 1 16 . 1 1 95 95 SER N N 95 122.399 122.399 120.102 2.297 18269
7568 1 16 . 1 1 95 95 SER HA H 95 4.186 4.186 4.282 -0.096 18269
7569 1 16 . 1 1 95 95 SER CA C 95 61.472 61.472 60.874 0.598 18269
7570 1 16 . 1 1 95 95 SER CB C 95 62.568 62.568 63.524 -0.956 18269
7571 1 16 . 1 1 95 95 SER H H 95 8.894 8.894 8.738 0.156 18269
7572 1 16 . 1 1 96 96 GLN N N 96 120.800 120.800 121.671 -0.871 18269
7573 1 16 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.013 -0.151 18269
7574 1 16 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.612 0.539 18269
7575 1 16 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.969 0.448 18269
7576 1 16 . 1 1 96 96 GLN H H 96 8.610 8.610 7.869 0.741 18269
7577 1 16 . 1 1 97 97 ILE N N 97 117.387 117.387 118.777 -1.390 18269
7578 1 16 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.467 -0.068 18269
7579 1 16 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.680 1.151 18269
7580 1 16 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.946 0.328 18269
7581 1 16 . 1 1 97 97 ILE H H 97 7.470 7.470 7.675 -0.205 18269
7582 1 16 . 1 1 98 98 CYS N N 98 113.485 113.485 114.307 -0.822 18269
7583 1 16 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.519 0.552 18269
7584 1 16 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.416 3.557 18269
7585 1 16 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.543 21.043 18269
7586 1 16 . 1 1 98 98 CYS H H 98 7.410 7.410 7.711 -0.301 18269
7587 1 16 . 1 1 99 99 GLU N N 99 119.123 119.123 121.314 -2.191 18269
7588 1 16 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.299 0.024 18269
7589 1 16 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.365 0.360 18269
7590 1 16 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.527 1.452 18269
7591 1 16 . 1 1 99 99 GLU H H 99 7.308 7.308 7.451 -0.143 18269
7592 1 16 . 1 1 100 100 LEU N N 100 115.771 115.771 119.837 -4.066 18269
7593 1 16 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.954 0.343 18269
7594 1 16 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.653 -0.971 18269
7595 1 16 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.063 0.898 18269
7596 1 16 . 1 1 100 100 LEU H H 100 6.496 6.496 7.336 -0.840 18269
7597 1 16 . 1 1 101 101 LYS N N 101 125.672 125.672 112.751 12.921 18269
7598 1 16 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.939 0.655 18269
7599 1 16 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.477 -1.127 18269
7600 1 16 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.244 4.479 18269
7601 1 16 . 1 1 101 101 LYS H H 101 8.575 8.575 7.378 1.197 18269
7602 1 16 . 1 1 102 102 TYR N N 102 120.395 120.395 122.279 -1.884 18269
7603 1 16 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.441 -0.059 18269
7604 1 16 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.251 1.773 18269
7605 1 16 . 1 1 102 102 TYR CB C 102 38.328 38.328 36.954 1.374 18269
7606 1 16 . 1 1 102 102 TYR H H 102 8.756 8.756 8.878 -0.122 18269
7607 1 16 . 1 1 103 103 GLU N N 103 121.550 121.550 119.234 2.316 18269
7608 1 16 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.068 0.324 18269
7609 1 16 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.055 -0.728 18269
7610 1 16 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.547 1.755 18269
7611 1 16 . 1 1 103 103 GLU H H 103 8.835 8.835 8.163 0.672 18269
7612 1 16 . 1 1 104 104 LYS N N 104 122.957 122.957 125.837 -2.880 18269
7613 1 16 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.338 0.123 18269
7614 1 16 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.808 -0.534 18269
7615 1 16 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.676 1.371 18269
7616 1 16 . 1 1 104 104 LYS H H 104 8.490 8.490 8.504 -0.014 18269
7617 1 17 . 1 1 2 2 GLU N N 2 121.590 121.590 119.229 2.361 18269
7618 1 17 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.261 0.033 18269
7619 1 17 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.142 -0.625 18269
7620 1 17 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.853 0.298 18269
7621 1 17 . 1 1 2 2 GLU H H 2 8.621 8.621 8.577 0.044 18269
7622 1 17 . 1 1 3 3 ALA N N 3 125.815 125.815 126.365 -0.550 18269
7623 1 17 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.592 -0.226 18269
7624 1 17 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.251 0.406 18269
7625 1 17 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.165 -1.218 18269
7626 1 17 . 1 1 3 3 ALA H H 3 8.598 8.598 8.624 -0.026 18269
7627 1 17 . 1 1 4 4 GLY N N 4 108.386 108.386 106.052 2.334 18269
7628 1 17 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.657 0.480 18269
7629 1 17 . 1 1 4 4 GLY H H 4 8.487 8.487 7.664 0.823 18269
7630 1 17 . 1 1 5 5 GLY N N 5 108.367 108.367 113.600 -5.233 18269
7631 1 17 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.786 -0.032 18269
7632 1 17 . 1 1 5 5 GLY H H 5 8.274 8.274 9.484 -1.210 18269
7633 1 17 . 1 1 6 6 ARG N N 6 121.577 121.577 116.176 5.401 18269
7634 1 17 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.052 0.623 18269
7635 1 17 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.588 -1.707 18269
7636 1 17 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.456 2.679 18269
7637 1 17 . 1 1 6 6 ARG H H 6 8.297 8.297 8.034 0.263 18269
7638 1 17 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.591 -0.100 18269
7639 1 17 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.392 0.961 18269
7640 1 17 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.393 1.654 18269
7641 1 17 . 1 1 8 8 GLY N N 8 109.658 109.658 106.861 2.797 18269
7642 1 17 . 1 1 8 8 GLY CA C 8 45.088 45.088 44.981 0.107 18269
7643 1 17 . 1 1 8 8 GLY H H 8 8.660 8.660 8.316 0.344 18269
7644 1 17 . 1 1 9 9 ALA N N 9 123.995 123.995 120.924 3.071 18269
7645 1 17 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.382 0.058 18269
7646 1 17 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.530 -0.733 18269
7647 1 17 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.911 0.368 18269
7648 1 17 . 1 1 9 9 ALA H H 9 8.200 8.200 7.440 0.760 18269
7649 1 17 . 1 1 10 10 ASP N N 10 119.834 119.834 118.748 1.086 18269
7650 1 17 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.681 -0.024 18269
7651 1 17 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.662 -0.122 18269
7652 1 17 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.764 -0.258 18269
7653 1 17 . 1 1 10 10 ASP H H 10 8.290 8.290 8.637 -0.347 18269
7654 1 17 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.701 -0.071 18269
7655 1 17 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.296 -4.538 18269
7656 1 17 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.837 14.623 18269
7657 1 17 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.776 0.188 18269
7658 1 17 . 1 1 12 12 GLU CA C 12 61.377 61.377 58.872 2.505 18269
7659 1 17 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.185 3.070 18269
7660 1 17 . 1 1 13 13 VAL N N 13 117.224 117.224 119.760 -2.536 18269
7661 1 17 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.376 0.370 18269
7662 1 17 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.355 -1.309 18269
7663 1 17 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.582 -0.364 18269
7664 1 17 . 1 1 13 13 VAL H H 13 7.040 7.040 7.973 -0.933 18269
7665 1 17 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.228 -0.143 18269
7666 1 17 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.949 -0.504 18269
7667 1 17 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.049 15.170 18269
7668 1 17 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.055 0.004 18269
7669 1 17 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.972 -2.401 18269
7670 1 17 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.754 0.496 18269
7671 1 17 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.080 0.251 18269
7672 1 17 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.459 -0.285 18269
7673 1 17 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.396 0.010 18269
7674 1 17 . 1 1 16 16 GLU H H 16 8.098 8.098 8.347 -0.249 18269
7675 1 17 . 1 1 17 17 PHE N N 17 120.745 120.745 121.189 -0.444 18269
7676 1 17 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.328 -0.013 18269
7677 1 17 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.872 0.642 18269
7678 1 17 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.255 1.258 18269
7679 1 17 . 1 1 17 17 PHE H H 17 9.126 9.126 7.850 1.276 18269
7680 1 17 . 1 1 18 18 LEU N N 18 115.787 115.787 119.543 -3.756 18269
7681 1 17 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.796 0.347 18269
7682 1 17 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.591 -0.714 18269
7683 1 17 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.475 -0.523 18269
7684 1 17 . 1 1 18 18 LEU H H 18 8.505 8.505 8.631 -0.126 18269
7685 1 17 . 1 1 19 19 ASN N N 19 117.635 117.635 116.522 1.113 18269
7686 1 17 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.399 0.477 18269
7687 1 17 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.587 -0.113 18269
7688 1 17 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.812 -0.484 18269
7689 1 17 . 1 1 19 19 ASN H H 19 8.405 8.405 8.154 0.251 18269
7690 1 17 . 1 1 20 20 ARG N N 20 122.851 122.851 119.772 3.079 18269
7691 1 17 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.056 0.061 18269
7692 1 17 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.853 0.436 18269
7693 1 17 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.197 0.258 18269
7694 1 17 . 1 1 20 20 ARG H H 20 8.325 8.325 7.811 0.514 18269
7695 1 17 . 1 1 21 21 PHE N N 21 121.774 121.774 121.593 0.181 18269
7696 1 17 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.242 0.038 18269
7697 1 17 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.650 -1.639 18269
7698 1 17 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.166 -0.154 18269
7699 1 17 . 1 1 21 21 PHE H H 21 8.438 8.438 8.347 0.091 18269
7700 1 17 . 1 1 22 22 TYR N N 22 119.937 119.937 120.283 -0.346 18269
7701 1 17 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.912 -0.123 18269
7702 1 17 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.414 0.238 18269
7703 1 17 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.620 -0.346 18269
7704 1 17 . 1 1 22 22 TYR H H 22 8.708 8.708 8.703 0.005 18269
7705 1 17 . 1 1 23 23 LYS N N 23 116.431 116.431 116.510 -0.079 18269
7706 1 17 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.032 -0.173 18269
7707 1 17 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.052 2.091 18269
7708 1 17 . 1 1 23 23 LYS CB C 23 32.217 32.217 32.011 0.206 18269
7709 1 17 . 1 1 23 23 LYS H H 23 7.928 7.928 8.095 -0.167 18269
7710 1 17 . 1 1 24 24 SER N N 24 113.888 113.888 117.608 -3.720 18269
7711 1 17 . 1 1 24 24 SER HA H 24 4.325 4.325 4.200 0.125 18269
7712 1 17 . 1 1 24 24 SER CA C 24 61.016 61.016 62.175 -1.159 18269
7713 1 17 . 1 1 24 24 SER CB C 24 62.837 62.837 62.727 0.110 18269
7714 1 17 . 1 1 24 24 SER H H 24 7.665 7.665 8.182 -0.517 18269
7715 1 17 . 1 1 25 25 LEU N N 25 119.663 119.663 120.863 -1.200 18269
7716 1 17 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.963 -0.284 18269
7717 1 17 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.189 0.316 18269
7718 1 17 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.105 0.797 18269
7719 1 17 . 1 1 25 25 LEU H H 25 7.573 7.573 7.804 -0.231 18269
7720 1 17 . 1 1 26 26 ILE N N 26 119.781 119.781 119.754 0.027 18269
7721 1 17 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.715 0.141 18269
7722 1 17 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.694 0.855 18269
7723 1 17 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.778 0.527 18269
7724 1 17 . 1 1 26 26 ILE H H 26 8.094 8.094 7.404 0.690 18269
7725 1 17 . 1 1 27 27 ASP N N 27 122.421 122.421 120.864 1.557 18269
7726 1 17 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.360 0.016 18269
7727 1 17 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.800 0.220 18269
7728 1 17 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.147 -1.067 18269
7729 1 17 . 1 1 27 27 ASP H H 27 9.091 9.091 8.073 1.018 18269
7730 1 17 . 1 1 28 28 ARG N N 28 115.349 115.349 117.861 -2.512 18269
7731 1 17 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.376 -0.071 18269
7732 1 17 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.532 -0.034 18269
7733 1 17 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.668 0.945 18269
7734 1 17 . 1 1 28 28 ARG H H 28 7.587 7.587 8.234 -0.647 18269
7735 1 17 . 1 1 29 29 GLY N N 29 109.999 109.999 107.265 2.734 18269
7736 1 17 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.147 1.514 18269
7737 1 17 . 1 1 29 29 GLY H H 29 7.909 7.909 7.606 0.303 18269
7738 1 17 . 1 1 30 30 VAL N N 30 118.740 118.740 120.095 -1.355 18269
7739 1 17 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.390 -0.631 18269
7740 1 17 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.818 1.652 18269
7741 1 17 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.237 0.089 18269
7742 1 17 . 1 1 30 30 VAL H H 30 7.701 7.701 7.864 -0.163 18269
7743 1 17 . 1 1 31 31 ASN N N 31 123.250 123.250 123.431 -0.181 18269
7744 1 17 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.695 0.018 18269
7745 1 17 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.443 1.045 18269
7746 1 17 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.256 -1.045 18269
7747 1 17 . 1 1 31 31 ASN H H 31 8.498 8.498 7.970 0.528 18269
7748 1 17 . 1 1 32 32 PHE N N 32 126.076 126.076 118.393 7.683 18269
7749 1 17 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.101 0.037 18269
7750 1 17 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.767 -2.119 18269
7751 1 17 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.406 -1.627 18269
7752 1 17 . 1 1 32 32 PHE H H 32 8.783 8.783 8.913 -0.130 18269
7753 1 17 . 1 1 33 33 SER N N 33 115.958 115.958 118.715 -2.757 18269
7754 1 17 . 1 1 33 33 SER HA H 33 4.736 4.736 4.408 0.328 18269
7755 1 17 . 1 1 33 33 SER CA C 33 56.745 56.745 59.101 -2.356 18269
7756 1 17 . 1 1 33 33 SER CB C 33 64.899 64.899 63.771 1.128 18269
7757 1 17 . 1 1 33 33 SER H H 33 7.699 7.699 8.082 -0.383 18269
7758 1 17 . 1 1 34 34 LEU N N 34 124.359 124.359 127.876 -3.517 18269
7759 1 17 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.959 -0.106 18269
7760 1 17 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.462 1.209 18269
7761 1 17 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.194 0.352 18269
7762 1 17 . 1 1 34 34 LEU H H 34 8.935 8.935 8.768 0.167 18269
7763 1 17 . 1 1 35 35 ASP N N 35 115.345 115.345 117.295 -1.950 18269
7764 1 17 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.515 -0.137 18269
7765 1 17 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.432 -0.574 18269
7766 1 17 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.280 -0.120 18269
7767 1 17 . 1 1 35 35 ASP H H 35 8.575 8.575 8.598 -0.023 18269
7768 1 17 . 1 1 36 36 THR N N 36 116.789 116.789 117.287 -0.498 18269
7769 1 17 . 1 1 36 36 THR HA H 36 4.015 4.015 4.183 -0.168 18269
7770 1 17 . 1 1 36 36 THR CA C 36 66.069 66.069 66.594 -0.525 18269
7771 1 17 . 1 1 36 36 THR CB C 36 68.780 68.780 68.859 -0.079 18269
7772 1 17 . 1 1 36 36 THR H H 36 7.593 7.593 7.216 0.377 18269
7773 1 17 . 1 1 37 37 ILE N N 37 120.685 120.685 120.544 0.141 18269
7774 1 17 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.881 -0.512 18269
7775 1 17 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.208 2.592 18269
7776 1 17 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.005 1.085 18269
7777 1 17 . 1 1 37 37 ILE H H 37 8.436 8.436 8.734 -0.298 18269
7778 1 17 . 1 1 38 38 GLU N N 38 118.792 118.792 121.392 -2.600 18269
7779 1 17 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.893 -0.215 18269
7780 1 17 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.024 1.036 18269
7781 1 17 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.436 0.435 18269
7782 1 17 . 1 1 38 38 GLU H H 38 8.122 8.122 7.830 0.292 18269
7783 1 17 . 1 1 39 39 LYS N N 39 116.986 116.986 119.695 -2.709 18269
7784 1 17 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.028 -0.067 18269
7785 1 17 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.256 0.490 18269
7786 1 17 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.074 0.236 18269
7787 1 17 . 1 1 39 39 LYS H H 39 7.586 7.586 8.013 -0.427 18269
7788 1 17 . 1 1 40 40 GLU N N 40 117.892 117.892 119.236 -1.344 18269
7789 1 17 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.404 -0.199 18269
7790 1 17 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.228 0.131 18269
7791 1 17 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.580 -1.001 18269
7792 1 17 . 1 1 40 40 GLU H H 40 8.690 8.690 8.265 0.425 18269
7793 1 17 . 1 1 41 41 LEU N N 41 125.830 125.830 121.873 3.957 18269
7794 1 17 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.701 -0.154 18269
7795 1 17 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.215 -0.387 18269
7796 1 17 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.725 -1.387 18269
7797 1 17 . 1 1 41 41 LEU H H 41 8.978 8.978 8.587 0.391 18269
7798 1 17 . 1 1 42 42 ILE N N 42 119.900 119.900 119.386 0.514 18269
7799 1 17 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.559 0.025 18269
7800 1 17 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.377 0.455 18269
7801 1 17 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.762 0.028 18269
7802 1 17 . 1 1 42 42 ILE H H 42 7.884 7.884 8.081 -0.197 18269
7803 1 17 . 1 1 43 43 SER N N 43 114.071 114.071 115.591 -1.520 18269
7804 1 17 . 1 1 43 43 SER HA H 43 4.277 4.277 4.212 0.065 18269
7805 1 17 . 1 1 43 43 SER CA C 43 61.598 61.598 62.114 -0.516 18269
7806 1 17 . 1 1 43 43 SER CB C 43 62.767 62.767 63.219 -0.452 18269
7807 1 17 . 1 1 43 43 SER H H 43 7.791 7.791 7.990 -0.199 18269
7808 1 17 . 1 1 44 44 PHE N N 44 125.036 125.036 122.461 2.575 18269
7809 1 17 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.434 -0.105 18269
7810 1 17 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.301 -0.044 18269
7811 1 17 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.636 0.995 18269
7812 1 17 . 1 1 44 44 PHE H H 44 9.060 9.060 8.782 0.278 18269
7813 1 17 . 1 1 45 45 CYS N N 45 112.824 112.824 119.381 -6.557 18269
7814 1 17 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.399 0.207 18269
7815 1 17 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.270 -2.034 18269
7816 1 17 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.864 16.759 18269
7817 1 17 . 1 1 45 45 CYS H H 45 8.254 8.254 8.270 -0.016 18269
7818 1 17 . 1 1 46 46 LEU N N 46 123.875 123.875 119.869 4.006 18269
7819 1 17 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.340 -0.165 18269
7820 1 17 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.852 1.298 18269
7821 1 17 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.611 0.641 18269
7822 1 17 . 1 1 46 46 LEU H H 46 7.776 7.776 7.615 0.161 18269
7823 1 17 . 1 1 47 47 ASP N N 47 116.880 116.880 120.590 -3.710 18269
7824 1 17 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.582 0.328 18269
7825 1 17 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.384 -0.799 18269
7826 1 17 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.507 0.868 18269
7827 1 17 . 1 1 47 47 ASP H H 47 7.852 7.852 7.677 0.175 18269
7828 1 17 . 1 1 48 48 THR N N 48 108.053 108.053 111.762 -3.709 18269
7829 1 17 . 1 1 48 48 THR HA H 48 4.461 4.461 4.570 -0.109 18269
7830 1 17 . 1 1 48 48 THR CA C 48 60.844 60.844 60.579 0.265 18269
7831 1 17 . 1 1 48 48 THR CB C 48 73.395 73.395 71.554 1.841 18269
7832 1 17 . 1 1 48 48 THR H H 48 7.139 7.139 7.781 -0.642 18269
7833 1 17 . 1 1 49 49 LYS N N 49 118.308 118.308 119.577 -1.269 18269
7834 1 17 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.626 0.092 18269
7835 1 17 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.051 -1.007 18269
7836 1 17 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.850 2.720 18269
7837 1 17 . 1 1 49 49 LYS H H 49 8.755 8.755 9.207 -0.452 18269
7838 1 17 . 1 1 50 50 GLY N N 50 108.996 108.996 110.394 -1.398 18269
7839 1 17 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.715 -0.872 18269
7840 1 17 . 1 1 50 50 GLY H H 50 8.866 8.866 8.672 0.194 18269
7841 1 17 . 1 1 51 51 LYS N N 51 126.155 126.155 121.201 4.954 18269
7842 1 17 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.102 -0.132 18269
7843 1 17 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.544 -1.434 18269
7844 1 17 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.150 0.469 18269
7845 1 17 . 1 1 51 51 LYS H H 51 9.254 9.254 8.694 0.560 18269
7846 1 17 . 1 1 52 52 GLU N N 52 116.496 116.496 119.099 -2.603 18269
7847 1 17 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.142 -0.619 18269
7848 1 17 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.200 0.190 18269
7849 1 17 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.757 -1.071 18269
7850 1 17 . 1 1 52 52 GLU H H 52 8.223 8.223 8.080 0.143 18269
7851 1 17 . 1 1 53 53 ASN N N 53 119.000 119.000 119.486 -0.486 18269
7852 1 17 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.737 -0.353 18269
7853 1 17 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.890 1.088 18269
7854 1 17 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.738 0.708 18269
7855 1 17 . 1 1 53 53 ASN H H 53 6.840 6.840 8.724 -1.884 18269
7856 1 17 . 1 1 54 54 ARG N N 54 118.480 118.480 118.782 -0.302 18269
7857 1 17 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.316 -0.547 18269
7858 1 17 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.132 0.265 18269
7859 1 17 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.015 -1.275 18269
7860 1 17 . 1 1 54 54 ARG H H 54 7.456 7.456 8.074 -0.618 18269
7861 1 17 . 1 1 55 55 LEU N N 55 118.688 118.688 122.147 -3.459 18269
7862 1 17 . 1 1 55 55 LEU HA H 55 3.808 3.808 3.227 0.581 18269
7863 1 17 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.796 0.663 18269
7864 1 17 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.660 -1.540 18269
7865 1 17 . 1 1 55 55 LEU H H 55 7.843 7.843 7.944 -0.101 18269
7866 1 17 . 1 1 56 56 CYS N N 56 115.905 115.905 115.935 -0.030 18269
7867 1 17 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.725 0.148 18269
7868 1 17 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.329 2.708 18269
7869 1 17 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.011 16.894 18269
7870 1 17 . 1 1 56 56 CYS H H 56 7.752 7.752 7.602 0.150 18269
7871 1 17 . 1 1 57 57 TYR N N 57 121.810 121.810 121.558 0.252 18269
7872 1 17 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.199 -0.056 18269
7873 1 17 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.561 -0.246 18269
7874 1 17 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.955 -0.901 18269
7875 1 17 . 1 1 57 57 TYR H H 57 7.911 7.911 7.701 0.210 18269
7876 1 17 . 1 1 58 58 TYR N N 58 121.916 121.916 113.468 8.448 18269
7877 1 17 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.469 -0.094 18269
7878 1 17 . 1 1 58 58 TYR CA C 58 59.009 59.009 58.494 0.515 18269
7879 1 17 . 1 1 58 58 TYR CB C 58 38.024 38.024 37.948 0.076 18269
7880 1 17 . 1 1 58 58 TYR H H 58 8.334 8.334 7.145 1.189 18269
7881 1 17 . 1 1 59 59 LEU N N 59 114.461 114.461 118.685 -4.224 18269
7882 1 17 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.241 -0.121 18269
7883 1 17 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.900 -0.671 18269
7884 1 17 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.519 -0.474 18269
7885 1 17 . 1 1 59 59 LEU H H 59 8.079 8.079 7.239 0.840 18269
7886 1 17 . 1 1 60 60 GLY N N 60 102.559 102.559 104.831 -2.272 18269
7887 1 17 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.834 0.738 18269
7888 1 17 . 1 1 60 60 GLY H H 60 7.562 7.562 7.636 -0.074 18269
7889 1 17 . 1 1 61 61 ALA N N 61 120.327 120.327 127.177 -6.850 18269
7890 1 17 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.458 -0.057 18269
7891 1 17 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.459 -1.194 18269
7892 1 17 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.796 -0.459 18269
7893 1 17 . 1 1 61 61 ALA H H 61 7.995 7.995 7.740 0.255 18269
7894 1 17 . 1 1 62 62 THR N N 62 106.895 106.895 114.392 -7.497 18269
7895 1 17 . 1 1 62 62 THR HA H 62 4.518 4.518 4.195 0.323 18269
7896 1 17 . 1 1 62 62 THR CA C 62 59.982 59.982 61.770 -1.788 18269
7897 1 17 . 1 1 62 62 THR CB C 62 70.540 70.540 69.561 0.979 18269
7898 1 17 . 1 1 62 62 THR H H 62 7.156 7.156 7.515 -0.359 18269
7899 1 17 . 1 1 63 63 LYS N N 63 121.251 121.251 123.130 -1.879 18269
7900 1 17 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.210 -0.113 18269
7901 1 17 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.640 0.632 18269
7902 1 17 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.067 0.088 18269
7903 1 17 . 1 1 63 63 LYS H H 63 8.626 8.626 8.477 0.149 18269
7904 1 17 . 1 1 64 64 ASP N N 64 116.607 116.607 117.330 -0.723 18269
7905 1 17 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.742 -0.185 18269
7906 1 17 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.677 -0.775 18269
7907 1 17 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.792 -0.686 18269
7908 1 17 . 1 1 64 64 ASP H H 64 8.441 8.441 8.110 0.331 18269
7909 1 17 . 1 1 65 65 ALA N N 65 122.486 122.486 120.409 2.077 18269
7910 1 17 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.810 -0.725 18269
7911 1 17 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.974 1.575 18269
7912 1 17 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.268 -1.711 18269
7913 1 17 . 1 1 65 65 ALA H H 65 7.368 7.368 7.251 0.117 18269
7914 1 17 . 1 1 66 66 ALA N N 66 124.171 124.171 122.744 1.427 18269
7915 1 17 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.271 0.173 18269
7916 1 17 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.531 -0.060 18269
7917 1 17 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.350 0.915 18269
7918 1 17 . 1 1 66 66 ALA H H 66 8.300 8.300 8.526 -0.226 18269
7919 1 17 . 1 1 67 67 THR N N 67 111.638 111.638 118.206 -6.568 18269
7920 1 17 . 1 1 67 67 THR HA H 67 4.496 4.496 4.168 0.328 18269
7921 1 17 . 1 1 67 67 THR CA C 67 60.881 60.881 63.646 -2.765 18269
7922 1 17 . 1 1 67 67 THR CB C 67 70.199 70.199 69.007 1.192 18269
7923 1 17 . 1 1 67 67 THR H H 67 7.730 7.730 8.578 -0.848 18269
7924 1 17 . 1 1 68 68 LYS N N 68 121.732 121.732 122.734 -1.002 18269
7925 1 17 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.093 0.443 18269
7926 1 17 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.968 -2.405 18269
7927 1 17 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.243 0.855 18269
7928 1 17 . 1 1 68 68 LYS H H 68 8.502 8.502 7.800 0.702 18269
7929 1 17 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.932 0.407 18269
7930 1 17 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.729 -1.023 18269
7931 1 17 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.703 0.097 18269
7932 1 17 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.075 0.056 18269
7933 1 17 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.906 0.710 18269
7934 1 17 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.689 0.049 18269
7935 1 17 . 1 1 71 71 SER HA H 71 4.817 4.817 4.307 0.510 18269
7936 1 17 . 1 1 71 71 SER CA C 71 60.667 60.667 60.989 -0.322 18269
7937 1 17 . 1 1 71 71 SER CB C 71 62.646 62.646 62.592 0.054 18269
7938 1 17 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.184 0.080 18269
7939 1 17 . 1 1 72 72 GLU CA C 72 56.629 56.629 57.747 -1.118 18269
7940 1 17 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.006 -0.759 18269
7941 1 17 . 1 1 73 73 VAL N N 73 114.786 114.786 117.080 -2.294 18269
7942 1 17 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.076 0.026 18269
7943 1 17 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.499 -1.758 18269
7944 1 17 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.520 0.745 18269
7945 1 17 . 1 1 73 73 VAL H H 73 7.812 7.812 7.483 0.329 18269
7946 1 17 . 1 1 74 74 THR HA H 74 3.767 3.767 4.028 -0.261 18269
7947 1 17 . 1 1 74 74 THR CA C 74 65.584 65.584 66.381 -0.797 18269
7948 1 17 . 1 1 74 74 THR CB C 74 67.470 67.470 68.543 -1.073 18269
7949 1 17 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.050 0.196 18269
7950 1 17 . 1 1 75 75 ARG CA C 75 61.383 61.383 61.226 0.157 18269
7951 1 17 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.992 0.628 18269
7952 1 17 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.318 0.167 18269
7953 1 17 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.390 0.307 18269
7954 1 17 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.642 -0.747 18269
7955 1 17 . 1 1 77 77 MET N N 77 117.583 117.583 116.343 1.240 18269
7956 1 17 . 1 1 77 77 MET HA H 77 4.684 4.684 4.341 0.343 18269
7957 1 17 . 1 1 77 77 MET CA C 77 59.347 59.347 56.194 3.152 18269
7958 1 17 . 1 1 77 77 MET CB C 77 32.996 32.996 30.831 2.165 18269
7959 1 17 . 1 1 77 77 MET H H 77 7.685 7.685 8.511 -0.826 18269
7960 1 17 . 1 1 78 78 SER N N 78 114.578 114.578 114.778 -0.200 18269
7961 1 17 . 1 1 78 78 SER HA H 78 4.226 4.226 4.192 0.034 18269
7962 1 17 . 1 1 78 78 SER CA C 78 61.922 61.922 60.926 0.996 18269
7963 1 17 . 1 1 78 78 SER CB C 78 62.406 62.406 63.019 -0.613 18269
7964 1 17 . 1 1 78 78 SER H H 78 8.285 8.285 7.812 0.473 18269
7965 1 17 . 1 1 79 79 VAL N N 79 111.248 111.248 118.400 -7.152 18269
7966 1 17 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.048 0.703 18269
7967 1 17 . 1 1 79 79 VAL CA C 79 60.126 60.126 62.863 -2.737 18269
7968 1 17 . 1 1 79 79 VAL CB C 79 30.346 30.346 32.569 -2.223 18269
7969 1 17 . 1 1 79 79 VAL H H 79 7.004 7.004 7.657 -0.653 18269
7970 1 17 . 1 1 80 80 HIS N N 80 116.703 116.703 116.344 0.359 18269
7971 1 17 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.869 -0.753 18269
7972 1 17 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.154 0.672 18269
7973 1 17 . 1 1 80 80 HIS CB C 80 25.889 25.889 31.415 -5.526 18269
7974 1 17 . 1 1 80 80 HIS H H 80 8.289 8.289 7.911 0.378 18269
7975 1 17 . 1 1 81 81 MET N N 81 120.978 120.978 116.465 4.513 18269
7976 1 17 . 1 1 81 81 MET HA H 81 4.512 4.512 4.344 0.168 18269
7977 1 17 . 1 1 81 81 MET CA C 81 55.007 55.007 55.798 -0.791 18269
7978 1 17 . 1 1 81 81 MET CB C 81 33.265 33.265 32.451 0.814 18269
7979 1 17 . 1 1 81 81 MET H H 81 8.006 8.006 8.512 -0.506 18269
7980 1 17 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.136 0.205 18269
7981 1 17 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.917 -1.681 18269
7982 1 17 . 1 1 82 82 PRO CB C 82 32.663 32.663 31.093 1.570 18269
7983 1 17 . 1 1 83 83 ALA N N 83 126.545 126.545 121.078 5.467 18269
7984 1 17 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.809 0.137 18269
7985 1 17 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.409 0.564 18269
7986 1 17 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.296 1.179 18269
7987 1 17 . 1 1 83 83 ALA H H 83 9.196 9.196 8.198 0.998 18269
7988 1 17 . 1 1 84 84 MET N N 84 114.734 114.734 117.174 -2.440 18269
7989 1 17 . 1 1 84 84 MET HA H 84 4.024 4.024 4.358 -0.334 18269
7990 1 17 . 1 1 84 84 MET CA C 84 58.812 58.812 58.556 0.256 18269
7991 1 17 . 1 1 84 84 MET CB C 84 32.242 32.242 32.349 -0.107 18269
7992 1 17 . 1 1 84 84 MET H H 84 9.289 9.289 7.919 1.370 18269
7993 1 17 . 1 1 85 85 LYS N N 85 116.490 116.490 119.171 -2.681 18269
7994 1 17 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.416 -0.242 18269
7995 1 17 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.222 -0.106 18269
7996 1 17 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.306 -0.513 18269
7997 1 17 . 1 1 85 85 LYS H H 85 6.997 6.997 8.165 -1.168 18269
7998 1 17 . 1 1 86 86 ILE N N 86 120.561 120.561 121.142 -0.581 18269
7999 1 17 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.658 -0.043 18269
8000 1 17 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.955 1.323 18269
8001 1 17 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.846 -0.326 18269
8002 1 17 . 1 1 86 86 ILE H H 86 7.875 7.875 7.812 0.063 18269
8003 1 17 . 1 1 87 87 CYS N N 87 117.323 117.323 117.880 -0.557 18269
8004 1 17 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.115 -0.039 18269
8005 1 17 . 1 1 87 87 CYS CA C 87 61.060 61.060 60.953 0.107 18269
8006 1 17 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.908 16.825 18269
8007 1 17 . 1 1 87 87 CYS H H 87 8.643 8.643 7.687 0.956 18269
8008 1 17 . 1 1 88 88 GLU N N 88 118.070 118.070 118.735 -0.665 18269
8009 1 17 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.144 -0.196 18269
8010 1 17 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.685 1.078 18269
8011 1 17 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.856 -0.092 18269
8012 1 17 . 1 1 88 88 GLU H H 88 8.045 8.045 7.474 0.571 18269
8013 1 17 . 1 1 89 89 LYS N N 89 119.719 119.719 121.125 -1.406 18269
8014 1 17 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.108 0.030 18269
8015 1 17 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.115 0.014 18269
8016 1 17 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.432 -0.729 18269
8017 1 17 . 1 1 89 89 LYS H H 89 7.530 7.530 8.040 -0.510 18269
8018 1 17 . 1 1 90 90 LEU N N 90 119.550 119.550 119.188 0.362 18269
8019 1 17 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.098 -0.133 18269
8020 1 17 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.936 0.407 18269
8021 1 17 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.501 -0.510 18269
8022 1 17 . 1 1 90 90 LEU H H 90 8.422 8.422 8.516 -0.094 18269
8023 1 17 . 1 1 91 91 LYS N N 91 119.180 119.180 119.134 0.046 18269
8024 1 17 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.096 -0.234 18269
8025 1 17 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.879 -0.274 18269
8026 1 17 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.966 0.511 18269
8027 1 17 . 1 1 91 91 LYS H H 91 8.218 8.218 7.606 0.612 18269
8028 1 17 . 1 1 92 92 LYS N N 92 113.632 113.632 119.907 -6.275 18269
8029 1 17 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.081 -0.028 18269
8030 1 17 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.920 -1.362 18269
8031 1 17 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.582 -0.648 18269
8032 1 17 . 1 1 92 92 LYS H H 92 6.984 6.984 7.530 -0.546 18269
8033 1 17 . 1 1 93 93 LEU N N 93 119.104 119.104 120.643 -1.539 18269
8034 1 17 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.342 -0.052 18269
8035 1 17 . 1 1 93 93 LEU CA C 93 56.104 56.104 54.533 1.571 18269
8036 1 17 . 1 1 93 93 LEU CB C 93 42.102 42.102 40.657 1.444 18269
8037 1 17 . 1 1 93 93 LEU H H 93 7.456 7.456 7.533 -0.077 18269
8038 1 17 . 1 1 94 94 ASP N N 94 116.790 116.790 120.970 -4.180 18269
8039 1 17 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.377 0.179 18269
8040 1 17 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.921 -0.555 18269
8041 1 17 . 1 1 94 94 ASP CB C 94 41.173 41.173 40.856 0.317 18269
8042 1 17 . 1 1 94 94 ASP H H 94 7.911 7.911 7.983 -0.072 18269
8043 1 17 . 1 1 95 95 SER N N 95 122.399 122.399 117.819 4.580 18269
8044 1 17 . 1 1 95 95 SER HA H 95 4.186 4.186 4.209 -0.023 18269
8045 1 17 . 1 1 95 95 SER CA C 95 61.472 61.472 60.810 0.662 18269
8046 1 17 . 1 1 95 95 SER CB C 95 62.568 62.568 63.419 -0.851 18269
8047 1 17 . 1 1 95 95 SER H H 95 8.894 8.894 8.644 0.250 18269
8048 1 17 . 1 1 96 96 GLN N N 96 120.800 120.800 122.819 -2.019 18269
8049 1 17 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.023 -0.161 18269
8050 1 17 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.622 -0.471 18269
8051 1 17 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.718 0.699 18269
8052 1 17 . 1 1 96 96 GLN H H 96 8.610 8.610 8.515 0.095 18269
8053 1 17 . 1 1 97 97 ILE N N 97 117.387 117.387 119.428 -2.041 18269
8054 1 17 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.443 -0.044 18269
8055 1 17 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.280 1.551 18269
8056 1 17 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.933 0.341 18269
8057 1 17 . 1 1 97 97 ILE H H 97 7.470 7.470 7.519 -0.049 18269
8058 1 17 . 1 1 98 98 CYS N N 98 113.485 113.485 116.606 -3.121 18269
8059 1 17 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.413 0.658 18269
8060 1 17 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.755 3.218 18269
8061 1 17 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.099 21.487 18269
8062 1 17 . 1 1 98 98 CYS H H 98 7.410 7.410 7.867 -0.457 18269
8063 1 17 . 1 1 99 99 GLU N N 99 119.123 119.123 119.166 -0.043 18269
8064 1 17 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.464 -0.141 18269
8065 1 17 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.193 1.533 18269
8066 1 17 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.428 1.551 18269
8067 1 17 . 1 1 99 99 GLU H H 99 7.308 7.308 7.728 -0.420 18269
8068 1 17 . 1 1 100 100 LEU N N 100 115.771 115.771 120.227 -4.456 18269
8069 1 17 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.270 0.027 18269
8070 1 17 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.682 -0.000 18269
8071 1 17 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.933 0.028 18269
8072 1 17 . 1 1 100 100 LEU H H 100 6.496 6.496 7.575 -1.079 18269
8073 1 17 . 1 1 101 101 LYS N N 101 125.672 125.672 114.743 10.929 18269
8074 1 17 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.696 0.898 18269
8075 1 17 . 1 1 101 101 LYS CA C 101 55.350 55.350 59.195 -3.845 18269
8076 1 17 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.100 4.623 18269
8077 1 17 . 1 1 101 101 LYS H H 101 8.575 8.575 7.904 0.671 18269
8078 1 17 . 1 1 102 102 TYR N N 102 120.395 120.395 115.282 5.113 18269
8079 1 17 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.474 -0.092 18269
8080 1 17 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.422 0.602 18269
8081 1 17 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.461 -1.133 18269
8082 1 17 . 1 1 102 102 TYR H H 102 8.756 8.756 8.110 0.646 18269
8083 1 17 . 1 1 103 103 GLU N N 103 121.550 121.550 118.525 3.025 18269
8084 1 17 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.427 -0.035 18269
8085 1 17 . 1 1 103 103 GLU CA C 103 56.327 56.327 58.301 -1.974 18269
8086 1 17 . 1 1 103 103 GLU CB C 103 30.302 30.302 30.659 -0.357 18269
8087 1 17 . 1 1 103 103 GLU H H 103 8.835 8.835 8.724 0.111 18269
8088 1 17 . 1 1 104 104 LYS N N 104 122.957 122.957 115.714 7.243 18269
8089 1 17 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.475 -0.014 18269
8090 1 17 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.707 -0.433 18269
8091 1 17 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.878 -0.831 18269
8092 1 17 . 1 1 104 104 LYS H H 104 8.490 8.490 8.138 0.352 18269
8093 1 18 . 1 1 2 2 GLU N N 2 121.590 121.590 115.651 5.939 18269
8094 1 18 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.141 0.153 18269
8095 1 18 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.209 -0.692 18269
8096 1 18 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.750 1.401 18269
8097 1 18 . 1 1 2 2 GLU H H 2 8.621 8.621 8.538 0.083 18269
8098 1 18 . 1 1 3 3 ALA N N 3 125.815 125.815 121.084 4.731 18269
8099 1 18 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.660 -0.294 18269
8100 1 18 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.445 1.212 18269
8101 1 18 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.349 -1.403 18269
8102 1 18 . 1 1 3 3 ALA H H 3 8.598 8.598 9.155 -0.557 18269
8103 1 18 . 1 1 4 4 GLY N N 4 108.386 108.386 107.350 1.036 18269
8104 1 18 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.047 -0.910 18269
8105 1 18 . 1 1 4 4 GLY H H 4 8.487 8.487 7.826 0.661 18269
8106 1 18 . 1 1 5 5 GLY N N 5 108.367 108.367 113.177 -4.810 18269
8107 1 18 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.738 0.016 18269
8108 1 18 . 1 1 5 5 GLY H H 5 8.274 8.274 8.217 0.057 18269
8109 1 18 . 1 1 6 6 ARG N N 6 121.577 121.577 120.019 1.558 18269
8110 1 18 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.930 -0.255 18269
8111 1 18 . 1 1 6 6 ARG CA C 6 53.881 53.881 52.928 0.953 18269
8112 1 18 . 1 1 6 6 ARG CB C 6 30.135 30.135 31.022 -0.887 18269
8113 1 18 . 1 1 6 6 ARG H H 6 8.297 8.297 8.202 0.095 18269
8114 1 18 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.719 -0.228 18269
8115 1 18 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.475 0.878 18269
8116 1 18 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.043 1.004 18269
8117 1 18 . 1 1 8 8 GLY N N 8 109.658 109.658 110.085 -0.427 18269
8118 1 18 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.335 -1.247 18269
8119 1 18 . 1 1 8 8 GLY H H 8 8.660 8.660 8.231 0.429 18269
8120 1 18 . 1 1 9 9 ALA N N 9 123.995 123.995 119.164 4.831 18269
8121 1 18 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.318 0.122 18269
8122 1 18 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.809 -1.012 18269
8123 1 18 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.943 0.336 18269
8124 1 18 . 1 1 9 9 ALA H H 9 8.200 8.200 7.983 0.217 18269
8125 1 18 . 1 1 10 10 ASP N N 10 119.834 119.834 117.504 2.330 18269
8126 1 18 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.676 -0.019 18269
8127 1 18 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.145 -0.605 18269
8128 1 18 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.469 0.037 18269
8129 1 18 . 1 1 10 10 ASP H H 10 8.290 8.290 8.177 0.113 18269
8130 1 18 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.270 0.360 18269
8131 1 18 . 1 1 11 11 CYS CA C 11 54.758 54.758 62.387 -7.629 18269
8132 1 18 . 1 1 11 11 CYS CB C 11 40.460 40.460 26.953 13.507 18269
8133 1 18 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.321 -0.357 18269
8134 1 18 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.816 3.561 18269
8135 1 18 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.637 1.618 18269
8136 1 18 . 1 1 13 13 VAL N N 13 117.224 117.224 121.343 -4.119 18269
8137 1 18 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.753 -0.007 18269
8138 1 18 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.653 -1.607 18269
8139 1 18 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.837 0.381 18269
8140 1 18 . 1 1 13 13 VAL H H 13 7.040 7.040 8.426 -1.386 18269
8141 1 18 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.141 -0.056 18269
8142 1 18 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.582 -1.137 18269
8143 1 18 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.047 15.171 18269
8144 1 18 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.048 0.011 18269
8145 1 18 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.144 -1.573 18269
8146 1 18 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.987 0.263 18269
8147 1 18 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.111 0.220 18269
8148 1 18 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.607 -0.433 18269
8149 1 18 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.443 -0.037 18269
8150 1 18 . 1 1 16 16 GLU H H 16 8.098 8.098 8.467 -0.369 18269
8151 1 18 . 1 1 17 17 PHE N N 17 120.745 120.745 120.848 -0.103 18269
8152 1 18 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.393 -0.078 18269
8153 1 18 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.144 0.370 18269
8154 1 18 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.246 1.267 18269
8155 1 18 . 1 1 17 17 PHE H H 17 9.126 9.126 8.104 1.022 18269
8156 1 18 . 1 1 18 18 LEU N N 18 115.787 115.787 118.678 -2.891 18269
8157 1 18 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.005 0.138 18269
8158 1 18 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.272 -0.395 18269
8159 1 18 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.362 -0.410 18269
8160 1 18 . 1 1 18 18 LEU H H 18 8.505 8.505 8.127 0.378 18269
8161 1 18 . 1 1 19 19 ASN N N 19 117.635 117.635 117.371 0.264 18269
8162 1 18 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.368 0.508 18269
8163 1 18 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.864 -0.390 18269
8164 1 18 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.873 -0.545 18269
8165 1 18 . 1 1 19 19 ASN H H 19 8.405 8.405 8.187 0.218 18269
8166 1 18 . 1 1 20 20 ARG N N 20 122.851 122.851 118.982 3.869 18269
8167 1 18 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.094 0.023 18269
8168 1 18 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.638 0.651 18269
8169 1 18 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.136 0.319 18269
8170 1 18 . 1 1 20 20 ARG H H 20 8.325 8.325 7.891 0.434 18269
8171 1 18 . 1 1 21 21 PHE N N 21 121.774 121.774 121.940 -0.166 18269
8172 1 18 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.896 0.384 18269
8173 1 18 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.474 -1.463 18269
8174 1 18 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.083 -0.072 18269
8175 1 18 . 1 1 21 21 PHE H H 21 8.438 8.438 8.359 0.079 18269
8176 1 18 . 1 1 22 22 TYR N N 22 119.937 119.937 120.239 -0.302 18269
8177 1 18 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.727 0.062 18269
8178 1 18 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.119 -0.467 18269
8179 1 18 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.456 -0.182 18269
8180 1 18 . 1 1 22 22 TYR H H 22 8.708 8.708 8.484 0.224 18269
8181 1 18 . 1 1 23 23 LYS N N 23 116.431 116.431 117.523 -1.092 18269
8182 1 18 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.922 -0.063 18269
8183 1 18 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.928 1.215 18269
8184 1 18 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.477 0.740 18269
8185 1 18 . 1 1 23 23 LYS H H 23 7.928 7.928 8.375 -0.447 18269
8186 1 18 . 1 1 24 24 SER N N 24 113.888 113.888 116.804 -2.916 18269
8187 1 18 . 1 1 24 24 SER HA H 24 4.325 4.325 4.175 0.150 18269
8188 1 18 . 1 1 24 24 SER CA C 24 61.016 61.016 62.112 -1.097 18269
8189 1 18 . 1 1 24 24 SER CB C 24 62.837 62.837 62.778 0.059 18269
8190 1 18 . 1 1 24 24 SER H H 24 7.665 7.665 8.340 -0.675 18269
8191 1 18 . 1 1 25 25 LEU N N 25 119.663 119.663 122.434 -2.771 18269
8192 1 18 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.978 -0.299 18269
8193 1 18 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.638 -0.133 18269
8194 1 18 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.178 0.724 18269
8195 1 18 . 1 1 25 25 LEU H H 25 7.573 7.573 7.383 0.190 18269
8196 1 18 . 1 1 26 26 ILE N N 26 119.781 119.781 119.703 0.078 18269
8197 1 18 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.526 0.330 18269
8198 1 18 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.517 0.031 18269
8199 1 18 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.566 0.738 18269
8200 1 18 . 1 1 26 26 ILE H H 26 8.094 8.094 7.545 0.549 18269
8201 1 18 . 1 1 27 27 ASP N N 27 122.421 122.421 120.191 2.230 18269
8202 1 18 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.367 0.009 18269
8203 1 18 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.681 0.339 18269
8204 1 18 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.153 -1.073 18269
8205 1 18 . 1 1 27 27 ASP H H 27 9.091 9.091 8.209 0.882 18269
8206 1 18 . 1 1 28 28 ARG N N 28 115.349 115.349 117.159 -1.810 18269
8207 1 18 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.309 -0.004 18269
8208 1 18 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.352 0.146 18269
8209 1 18 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.866 0.747 18269
8210 1 18 . 1 1 28 28 ARG H H 28 7.587 7.587 7.891 -0.304 18269
8211 1 18 . 1 1 29 29 GLY N N 29 109.999 109.999 107.790 2.209 18269
8212 1 18 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.391 1.270 18269
8213 1 18 . 1 1 29 29 GLY H H 29 7.909 7.909 7.871 0.038 18269
8214 1 18 . 1 1 30 30 VAL N N 30 118.740 118.740 121.288 -2.548 18269
8215 1 18 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.303 -0.544 18269
8216 1 18 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.521 1.949 18269
8217 1 18 . 1 1 30 30 VAL CB C 30 32.326 32.326 30.104 2.222 18269
8218 1 18 . 1 1 30 30 VAL H H 30 7.701 7.701 7.881 -0.180 18269
8219 1 18 . 1 1 31 31 ASN N N 31 123.250 123.250 119.220 4.030 18269
8220 1 18 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.749 -0.036 18269
8221 1 18 . 1 1 31 31 ASN CA C 31 53.488 53.488 51.798 1.690 18269
8222 1 18 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.283 -1.073 18269
8223 1 18 . 1 1 31 31 ASN H H 31 8.498 8.498 7.409 1.089 18269
8224 1 18 . 1 1 32 32 PHE N N 32 126.076 126.076 118.487 7.589 18269
8225 1 18 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.212 -0.074 18269
8226 1 18 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.670 -2.023 18269
8227 1 18 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.233 -1.454 18269
8228 1 18 . 1 1 32 32 PHE H H 32 8.783 8.783 9.100 -0.317 18269
8229 1 18 . 1 1 33 33 SER N N 33 115.958 115.958 119.429 -3.471 18269
8230 1 18 . 1 1 33 33 SER HA H 33 4.736 4.736 4.400 0.336 18269
8231 1 18 . 1 1 33 33 SER CA C 33 56.745 56.745 59.145 -2.400 18269
8232 1 18 . 1 1 33 33 SER CB C 33 64.899 64.899 63.150 1.749 18269
8233 1 18 . 1 1 33 33 SER H H 33 7.699 7.699 8.258 -0.559 18269
8234 1 18 . 1 1 34 34 LEU N N 34 124.359 124.359 129.030 -4.671 18269
8235 1 18 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.015 -0.162 18269
8236 1 18 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.495 1.177 18269
8237 1 18 . 1 1 34 34 LEU CB C 34 41.546 41.546 40.842 0.704 18269
8238 1 18 . 1 1 34 34 LEU H H 34 8.935 8.935 8.669 0.266 18269
8239 1 18 . 1 1 35 35 ASP N N 35 115.345 115.345 117.573 -2.228 18269
8240 1 18 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.410 -0.032 18269
8241 1 18 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.635 -0.777 18269
8242 1 18 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.788 -0.628 18269
8243 1 18 . 1 1 35 35 ASP H H 35 8.575 8.575 8.731 -0.156 18269
8244 1 18 . 1 1 36 36 THR N N 36 116.789 116.789 115.890 0.899 18269
8245 1 18 . 1 1 36 36 THR HA H 36 4.015 4.015 4.109 -0.094 18269
8246 1 18 . 1 1 36 36 THR CA C 36 66.069 66.069 66.431 -0.362 18269
8247 1 18 . 1 1 36 36 THR CB C 36 68.780 68.780 68.987 -0.207 18269
8248 1 18 . 1 1 36 36 THR H H 36 7.593 7.593 7.227 0.366 18269
8249 1 18 . 1 1 37 37 ILE N N 37 120.685 120.685 122.148 -1.463 18269
8250 1 18 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.765 -0.396 18269
8251 1 18 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.813 -0.013 18269
8252 1 18 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.567 -0.476 18269
8253 1 18 . 1 1 37 37 ILE H H 37 8.436 8.436 8.638 -0.202 18269
8254 1 18 . 1 1 38 38 GLU N N 38 118.792 118.792 121.336 -2.544 18269
8255 1 18 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.905 -0.227 18269
8256 1 18 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.986 1.075 18269
8257 1 18 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.485 0.386 18269
8258 1 18 . 1 1 38 38 GLU H H 38 8.122 8.122 8.320 -0.198 18269
8259 1 18 . 1 1 39 39 LYS N N 39 116.986 116.986 119.618 -2.632 18269
8260 1 18 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.086 -0.125 18269
8261 1 18 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.846 0.900 18269
8262 1 18 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.108 0.202 18269
8263 1 18 . 1 1 39 39 LYS H H 39 7.586 7.586 7.696 -0.110 18269
8264 1 18 . 1 1 40 40 GLU N N 40 117.892 117.892 120.084 -2.192 18269
8265 1 18 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.289 -0.084 18269
8266 1 18 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.160 -0.801 18269
8267 1 18 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.617 -1.038 18269
8268 1 18 . 1 1 40 40 GLU H H 40 8.690 8.690 8.359 0.331 18269
8269 1 18 . 1 1 41 41 LEU N N 41 125.830 125.830 121.159 4.671 18269
8270 1 18 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.905 -0.358 18269
8271 1 18 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.092 -0.264 18269
8272 1 18 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.751 -1.413 18269
8273 1 18 . 1 1 41 41 LEU H H 41 8.978 8.978 8.604 0.374 18269
8274 1 18 . 1 1 42 42 ILE N N 42 119.900 119.900 119.473 0.427 18269
8275 1 18 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.565 0.019 18269
8276 1 18 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.516 0.316 18269
8277 1 18 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.703 0.087 18269
8278 1 18 . 1 1 42 42 ILE H H 42 7.884 7.884 7.818 0.066 18269
8279 1 18 . 1 1 43 43 SER N N 43 114.071 114.071 116.172 -2.101 18269
8280 1 18 . 1 1 43 43 SER HA H 43 4.277 4.277 4.219 0.058 18269
8281 1 18 . 1 1 43 43 SER CA C 43 61.598 61.598 62.201 -0.603 18269
8282 1 18 . 1 1 43 43 SER CB C 43 62.767 62.767 63.163 -0.396 18269
8283 1 18 . 1 1 43 43 SER H H 43 7.791 7.791 8.246 -0.455 18269
8284 1 18 . 1 1 44 44 PHE N N 44 125.036 125.036 122.183 2.853 18269
8285 1 18 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.258 0.071 18269
8286 1 18 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.522 -0.265 18269
8287 1 18 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.301 1.330 18269
8288 1 18 . 1 1 44 44 PHE H H 44 9.060 9.060 8.943 0.117 18269
8289 1 18 . 1 1 45 45 CYS N N 45 112.824 112.824 120.086 -7.262 18269
8290 1 18 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.362 0.244 18269
8291 1 18 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.747 -3.511 18269
8292 1 18 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.155 16.468 18269
8293 1 18 . 1 1 45 45 CYS H H 45 8.254 8.254 8.341 -0.087 18269
8294 1 18 . 1 1 46 46 LEU N N 46 123.875 123.875 116.772 7.103 18269
8295 1 18 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.340 -0.165 18269
8296 1 18 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.055 2.096 18269
8297 1 18 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.106 0.146 18269
8298 1 18 . 1 1 46 46 LEU H H 46 7.776 7.776 7.677 0.099 18269
8299 1 18 . 1 1 47 47 ASP N N 47 116.880 116.880 117.828 -0.948 18269
8300 1 18 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.707 0.203 18269
8301 1 18 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.530 -0.945 18269
8302 1 18 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.666 -1.291 18269
8303 1 18 . 1 1 47 47 ASP H H 47 7.852 7.852 7.902 -0.050 18269
8304 1 18 . 1 1 48 48 THR N N 48 108.053 108.053 113.902 -5.849 18269
8305 1 18 . 1 1 48 48 THR HA H 48 4.461 4.461 4.117 0.344 18269
8306 1 18 . 1 1 48 48 THR CA C 48 60.844 60.844 61.432 -0.588 18269
8307 1 18 . 1 1 48 48 THR CB C 48 73.395 73.395 69.923 3.472 18269
8308 1 18 . 1 1 48 48 THR H H 48 7.139 7.139 7.391 -0.252 18269
8309 1 18 . 1 1 49 49 LYS N N 49 118.308 118.308 119.358 -1.050 18269
8310 1 18 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.493 0.225 18269
8311 1 18 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.700 -0.656 18269
8312 1 18 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.090 3.480 18269
8313 1 18 . 1 1 49 49 LYS H H 49 8.755 8.755 9.228 -0.473 18269
8314 1 18 . 1 1 50 50 GLY N N 50 108.996 108.996 110.265 -1.269 18269
8315 1 18 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.955 -1.112 18269
8316 1 18 . 1 1 50 50 GLY H H 50 8.866 8.866 8.662 0.204 18269
8317 1 18 . 1 1 51 51 LYS N N 51 126.155 126.155 121.075 5.080 18269
8318 1 18 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.082 -0.112 18269
8319 1 18 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.977 -0.868 18269
8320 1 18 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.971 0.648 18269
8321 1 18 . 1 1 51 51 LYS H H 51 9.254 9.254 8.665 0.589 18269
8322 1 18 . 1 1 52 52 GLU N N 52 116.496 116.496 119.573 -3.077 18269
8323 1 18 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.174 -0.651 18269
8324 1 18 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.426 -0.036 18269
8325 1 18 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.541 -0.855 18269
8326 1 18 . 1 1 52 52 GLU H H 52 8.223 8.223 7.940 0.283 18269
8327 1 18 . 1 1 53 53 ASN N N 53 119.000 119.000 117.044 1.956 18269
8328 1 18 . 1 1 53 53 ASN HA H 53 4.384 4.384 5.023 -0.639 18269
8329 1 18 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.451 1.527 18269
8330 1 18 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.715 0.731 18269
8331 1 18 . 1 1 53 53 ASN H H 53 6.840 6.840 8.646 -1.806 18269
8332 1 18 . 1 1 54 54 ARG N N 54 118.480 118.480 118.303 0.177 18269
8333 1 18 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.385 -0.616 18269
8334 1 18 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.252 0.145 18269
8335 1 18 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.045 -1.305 18269
8336 1 18 . 1 1 54 54 ARG H H 54 7.456 7.456 7.303 0.153 18269
8337 1 18 . 1 1 55 55 LEU N N 55 118.688 118.688 122.476 -3.788 18269
8338 1 18 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.134 -0.326 18269
8339 1 18 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.697 0.762 18269
8340 1 18 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.434 -1.313 18269
8341 1 18 . 1 1 55 55 LEU H H 55 7.843 7.843 8.257 -0.414 18269
8342 1 18 . 1 1 56 56 CYS N N 56 115.905 115.905 117.718 -1.813 18269
8343 1 18 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.826 0.047 18269
8344 1 18 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.541 1.496 18269
8345 1 18 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.329 16.576 18269
8346 1 18 . 1 1 56 56 CYS H H 56 7.752 7.752 8.100 -0.348 18269
8347 1 18 . 1 1 57 57 TYR N N 57 121.810 121.810 118.664 3.146 18269
8348 1 18 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.352 -0.209 18269
8349 1 18 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.586 0.729 18269
8350 1 18 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.737 -0.683 18269
8351 1 18 . 1 1 57 57 TYR H H 57 7.911 7.911 8.026 -0.115 18269
8352 1 18 . 1 1 58 58 TYR N N 58 121.916 121.916 116.796 5.120 18269
8353 1 18 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.306 0.069 18269
8354 1 18 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.483 -1.474 18269
8355 1 18 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.641 -0.617 18269
8356 1 18 . 1 1 58 58 TYR H H 58 8.334 8.334 7.332 1.002 18269
8357 1 18 . 1 1 59 59 LEU N N 59 114.461 114.461 117.492 -3.031 18269
8358 1 18 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.964 0.156 18269
8359 1 18 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.554 -1.325 18269
8360 1 18 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.497 -0.452 18269
8361 1 18 . 1 1 59 59 LEU H H 59 8.079 8.079 8.380 -0.301 18269
8362 1 18 . 1 1 60 60 GLY N N 60 102.559 102.559 103.328 -0.769 18269
8363 1 18 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.681 0.891 18269
8364 1 18 . 1 1 60 60 GLY H H 60 7.562 7.562 7.615 -0.053 18269
8365 1 18 . 1 1 61 61 ALA N N 61 120.327 120.327 124.290 -3.963 18269
8366 1 18 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.762 -0.361 18269
8367 1 18 . 1 1 61 61 ALA CA C 61 51.265 51.265 50.307 0.958 18269
8368 1 18 . 1 1 61 61 ALA CB C 61 20.337 20.337 21.997 -1.660 18269
8369 1 18 . 1 1 61 61 ALA H H 61 7.995 7.995 7.940 0.055 18269
8370 1 18 . 1 1 62 62 THR N N 62 106.895 106.895 109.863 -2.968 18269
8371 1 18 . 1 1 62 62 THR HA H 62 4.518 4.518 3.869 0.649 18269
8372 1 18 . 1 1 62 62 THR CA C 62 59.982 59.982 62.415 -2.433 18269
8373 1 18 . 1 1 62 62 THR CB C 62 70.540 70.540 68.578 1.962 18269
8374 1 18 . 1 1 62 62 THR H H 62 7.156 7.156 8.532 -1.376 18269
8375 1 18 . 1 1 63 63 LYS N N 63 121.251 121.251 122.412 -1.161 18269
8376 1 18 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.211 -0.114 18269
8377 1 18 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.797 1.475 18269
8378 1 18 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.172 -0.017 18269
8379 1 18 . 1 1 63 63 LYS H H 63 8.626 8.626 8.468 0.158 18269
8380 1 18 . 1 1 64 64 ASP N N 64 116.607 116.607 118.826 -2.219 18269
8381 1 18 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.659 -0.102 18269
8382 1 18 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.672 -0.770 18269
8383 1 18 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.888 -1.782 18269
8384 1 18 . 1 1 64 64 ASP H H 64 8.441 8.441 7.926 0.515 18269
8385 1 18 . 1 1 65 65 ALA N N 65 122.486 122.486 121.730 0.756 18269
8386 1 18 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.545 -0.460 18269
8387 1 18 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.731 1.818 18269
8388 1 18 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.984 -1.427 18269
8389 1 18 . 1 1 65 65 ALA H H 65 7.368 7.368 7.222 0.146 18269
8390 1 18 . 1 1 66 66 ALA N N 66 124.171 124.171 119.523 4.648 18269
8391 1 18 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.193 0.251 18269
8392 1 18 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.352 0.119 18269
8393 1 18 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.033 0.232 18269
8394 1 18 . 1 1 66 66 ALA H H 66 8.300 8.300 8.373 -0.073 18269
8395 1 18 . 1 1 67 67 THR N N 67 111.638 111.638 117.745 -6.107 18269
8396 1 18 . 1 1 67 67 THR HA H 67 4.496 4.496 4.160 0.336 18269
8397 1 18 . 1 1 67 67 THR CA C 67 60.881 60.881 64.240 -3.359 18269
8398 1 18 . 1 1 67 67 THR CB C 67 70.199 70.199 69.154 1.045 18269
8399 1 18 . 1 1 67 67 THR H H 67 7.730 7.730 8.364 -0.634 18269
8400 1 18 . 1 1 68 68 LYS N N 68 121.732 121.732 122.305 -0.573 18269
8401 1 18 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.064 0.472 18269
8402 1 18 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.603 -3.041 18269
8403 1 18 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.242 0.857 18269
8404 1 18 . 1 1 68 68 LYS H H 68 8.502 8.502 8.104 0.398 18269
8405 1 18 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.041 0.298 18269
8406 1 18 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.492 -0.785 18269
8407 1 18 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.617 0.183 18269
8408 1 18 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.301 -0.170 18269
8409 1 18 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.851 0.765 18269
8410 1 18 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.462 0.277 18269
8411 1 18 . 1 1 71 71 SER HA H 71 4.817 4.817 4.283 0.534 18269
8412 1 18 . 1 1 71 71 SER CA C 71 60.667 60.667 61.434 -0.767 18269
8413 1 18 . 1 1 71 71 SER CB C 71 62.646 62.646 62.688 -0.042 18269
8414 1 18 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.092 0.172 18269
8415 1 18 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.891 -2.262 18269
8416 1 18 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.621 -1.374 18269
8417 1 18 . 1 1 73 73 VAL N N 73 114.786 114.786 118.981 -4.195 18269
8418 1 18 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.005 0.097 18269
8419 1 18 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.144 -1.403 18269
8420 1 18 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.994 1.271 18269
8421 1 18 . 1 1 73 73 VAL H H 73 7.812 7.812 7.768 0.044 18269
8422 1 18 . 1 1 74 74 THR HA H 74 3.767 3.767 3.916 -0.148 18269
8423 1 18 . 1 1 74 74 THR CA C 74 65.584 65.584 66.304 -0.720 18269
8424 1 18 . 1 1 74 74 THR CB C 74 67.470 67.470 68.683 -1.213 18269
8425 1 18 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.130 0.116 18269
8426 1 18 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.328 1.055 18269
8427 1 18 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.536 1.084 18269
8428 1 18 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.257 0.228 18269
8429 1 18 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.787 -0.090 18269
8430 1 18 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.383 -0.488 18269
8431 1 18 . 1 1 77 77 MET N N 77 117.583 117.583 113.378 4.205 18269
8432 1 18 . 1 1 77 77 MET HA H 77 4.684 4.684 4.463 0.221 18269
8433 1 18 . 1 1 77 77 MET CA C 77 59.347 59.347 56.157 3.190 18269
8434 1 18 . 1 1 77 77 MET CB C 77 32.996 32.996 31.411 1.585 18269
8435 1 18 . 1 1 77 77 MET H H 77 7.685 7.685 8.278 -0.593 18269
8436 1 18 . 1 1 78 78 SER N N 78 114.578 114.578 114.375 0.203 18269
8437 1 18 . 1 1 78 78 SER HA H 78 4.226 4.226 4.376 -0.150 18269
8438 1 18 . 1 1 78 78 SER CA C 78 61.922 61.922 59.689 2.233 18269
8439 1 18 . 1 1 78 78 SER CB C 78 62.406 62.406 63.714 -1.308 18269
8440 1 18 . 1 1 78 78 SER H H 78 8.285 8.285 7.576 0.709 18269
8441 1 18 . 1 1 79 79 VAL N N 79 111.248 111.248 118.090 -6.842 18269
8442 1 18 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.338 0.413 18269
8443 1 18 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.540 0.586 18269
8444 1 18 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.246 -3.900 18269
8445 1 18 . 1 1 79 79 VAL H H 79 7.004 7.004 7.796 -0.792 18269
8446 1 18 . 1 1 80 80 HIS N N 80 116.703 116.703 120.111 -3.408 18269
8447 1 18 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.617 -0.501 18269
8448 1 18 . 1 1 80 80 HIS CA C 80 56.826 56.826 59.729 -2.903 18269
8449 1 18 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.252 -4.363 18269
8450 1 18 . 1 1 80 80 HIS H H 80 8.289 8.289 8.610 -0.321 18269
8451 1 18 . 1 1 81 81 MET N N 81 120.978 120.978 116.034 4.944 18269
8452 1 18 . 1 1 81 81 MET HA H 81 4.512 4.512 4.397 0.115 18269
8453 1 18 . 1 1 81 81 MET CA C 81 55.007 55.007 55.711 -0.704 18269
8454 1 18 . 1 1 81 81 MET CB C 81 33.265 33.265 31.520 1.745 18269
8455 1 18 . 1 1 81 81 MET H H 81 8.006 8.006 8.345 -0.339 18269
8456 1 18 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.193 0.148 18269
8457 1 18 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.915 -1.679 18269
8458 1 18 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.916 1.747 18269
8459 1 18 . 1 1 83 83 ALA N N 83 126.545 126.545 120.192 6.353 18269
8460 1 18 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.864 0.082 18269
8461 1 18 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.877 1.095 18269
8462 1 18 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.249 1.226 18269
8463 1 18 . 1 1 83 83 ALA H H 83 9.196 9.196 7.859 1.337 18269
8464 1 18 . 1 1 84 84 MET N N 84 114.734 114.734 117.363 -2.629 18269
8465 1 18 . 1 1 84 84 MET HA H 84 4.024 4.024 4.221 -0.197 18269
8466 1 18 . 1 1 84 84 MET CA C 84 58.812 58.812 58.162 0.650 18269
8467 1 18 . 1 1 84 84 MET CB C 84 32.242 32.242 31.898 0.344 18269
8468 1 18 . 1 1 84 84 MET H H 84 9.289 9.289 7.990 1.299 18269
8469 1 18 . 1 1 85 85 LYS N N 85 116.490 116.490 119.289 -2.799 18269
8470 1 18 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.402 -0.228 18269
8471 1 18 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.544 -0.428 18269
8472 1 18 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.818 -0.025 18269
8473 1 18 . 1 1 85 85 LYS H H 85 6.997 6.997 8.376 -1.379 18269
8474 1 18 . 1 1 86 86 ILE N N 86 120.561 120.561 120.118 0.443 18269
8475 1 18 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.673 -0.058 18269
8476 1 18 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.803 1.475 18269
8477 1 18 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.631 -0.111 18269
8478 1 18 . 1 1 86 86 ILE H H 86 7.875 7.875 7.592 0.283 18269
8479 1 18 . 1 1 87 87 CYS N N 87 117.323 117.323 119.409 -2.086 18269
8480 1 18 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.115 -0.039 18269
8481 1 18 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.763 -0.703 18269
8482 1 18 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.949 16.784 18269
8483 1 18 . 1 1 87 87 CYS H H 87 8.643 8.643 7.741 0.902 18269
8484 1 18 . 1 1 88 88 GLU N N 88 118.070 118.070 119.703 -1.633 18269
8485 1 18 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.991 -0.043 18269
8486 1 18 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.943 0.820 18269
8487 1 18 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.669 0.094 18269
8488 1 18 . 1 1 88 88 GLU H H 88 8.045 8.045 7.902 0.143 18269
8489 1 18 . 1 1 89 89 LYS N N 89 119.719 119.719 117.447 2.272 18269
8490 1 18 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.167 -0.029 18269
8491 1 18 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.529 0.601 18269
8492 1 18 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.462 -0.759 18269
8493 1 18 . 1 1 89 89 LYS H H 89 7.530 7.530 8.210 -0.680 18269
8494 1 18 . 1 1 90 90 LEU N N 90 119.550 119.550 121.888 -2.338 18269
8495 1 18 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.053 -0.088 18269
8496 1 18 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.397 -0.054 18269
8497 1 18 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.725 -0.734 18269
8498 1 18 . 1 1 90 90 LEU H H 90 8.422 8.422 8.194 0.228 18269
8499 1 18 . 1 1 91 91 LYS N N 91 119.180 119.180 117.806 1.374 18269
8500 1 18 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.302 -0.440 18269
8501 1 18 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.817 -0.212 18269
8502 1 18 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.032 0.445 18269
8503 1 18 . 1 1 91 91 LYS H H 91 8.218 8.218 7.637 0.581 18269
8504 1 18 . 1 1 92 92 LYS N N 92 113.632 113.632 116.813 -3.181 18269
8505 1 18 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.201 -0.148 18269
8506 1 18 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.000 0.558 18269
8507 1 18 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.254 -0.320 18269
8508 1 18 . 1 1 92 92 LYS H H 92 6.984 6.984 7.425 -0.441 18269
8509 1 18 . 1 1 93 93 LEU N N 93 119.104 119.104 118.816 0.288 18269
8510 1 18 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.395 -0.105 18269
8511 1 18 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.078 0.026 18269
8512 1 18 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.671 -1.569 18269
8513 1 18 . 1 1 93 93 LEU H H 93 7.456 7.456 7.702 -0.246 18269
8514 1 18 . 1 1 94 94 ASP N N 94 116.790 116.790 119.046 -2.256 18269
8515 1 18 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.811 -0.255 18269
8516 1 18 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.632 0.734 18269
8517 1 18 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.389 -1.216 18269
8518 1 18 . 1 1 94 94 ASP H H 94 7.911 7.911 8.341 -0.430 18269
8519 1 18 . 1 1 95 95 SER N N 95 122.399 122.399 121.697 0.702 18269
8520 1 18 . 1 1 95 95 SER HA H 95 4.186 4.186 4.334 -0.148 18269
8521 1 18 . 1 1 95 95 SER CA C 95 61.472 61.472 60.669 0.803 18269
8522 1 18 . 1 1 95 95 SER CB C 95 62.568 62.568 63.558 -0.990 18269
8523 1 18 . 1 1 95 95 SER H H 95 8.894 8.894 8.828 0.066 18269
8524 1 18 . 1 1 96 96 GLN N N 96 120.800 120.800 121.942 -1.142 18269
8525 1 18 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.107 -0.245 18269
8526 1 18 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.068 0.083 18269
8527 1 18 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.574 -0.157 18269
8528 1 18 . 1 1 96 96 GLN H H 96 8.610 8.610 7.837 0.773 18269
8529 1 18 . 1 1 97 97 ILE N N 97 117.387 117.387 119.467 -2.080 18269
8530 1 18 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.426 -0.027 18269
8531 1 18 . 1 1 97 97 ILE CA C 97 65.831 65.831 65.043 0.787 18269
8532 1 18 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.828 0.446 18269
8533 1 18 . 1 1 97 97 ILE H H 97 7.470 7.470 8.539 -1.069 18269
8534 1 18 . 1 1 98 98 CYS N N 98 113.485 113.485 119.000 -5.515 18269
8535 1 18 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.232 0.839 18269
8536 1 18 . 1 1 98 98 CYS CA C 98 61.973 61.973 60.494 1.479 18269
8537 1 18 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.064 21.522 18269
8538 1 18 . 1 1 98 98 CYS H H 98 7.410 7.410 7.398 0.012 18269
8539 1 18 . 1 1 99 99 GLU N N 99 119.123 119.123 118.264 0.859 18269
8540 1 18 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.458 -0.135 18269
8541 1 18 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.210 1.516 18269
8542 1 18 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.311 1.668 18269
8543 1 18 . 1 1 99 99 GLU H H 99 7.308 7.308 7.870 -0.562 18269
8544 1 18 . 1 1 100 100 LEU N N 100 115.771 115.771 123.195 -7.424 18269
8545 1 18 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.178 0.118 18269
8546 1 18 . 1 1 100 100 LEU CA C 100 55.682 55.682 53.490 2.192 18269
8547 1 18 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.847 2.114 18269
8548 1 18 . 1 1 100 100 LEU H H 100 6.496 6.496 7.450 -0.954 18269
8549 1 18 . 1 1 101 101 LYS N N 101 125.672 125.672 120.192 5.480 18269
8550 1 18 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.872 0.722 18269
8551 1 18 . 1 1 101 101 LYS CA C 101 55.350 55.350 55.414 -0.064 18269
8552 1 18 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.328 3.395 18269
8553 1 18 . 1 1 101 101 LYS H H 101 8.575 8.575 7.245 1.330 18269
8554 1 18 . 1 1 102 102 TYR N N 102 120.395 120.395 122.217 -1.822 18269
8555 1 18 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.227 0.155 18269
8556 1 18 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.749 0.275 18269
8557 1 18 . 1 1 102 102 TYR CB C 102 38.328 38.328 37.769 0.559 18269
8558 1 18 . 1 1 102 102 TYR H H 102 8.756 8.756 8.311 0.445 18269
8559 1 18 . 1 1 103 103 GLU N N 103 121.550 121.550 119.138 2.412 18269
8560 1 18 . 1 1 103 103 GLU HA H 103 4.392 4.392 3.978 0.414 18269
8561 1 18 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.358 -1.031 18269
8562 1 18 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.454 2.848 18269
8563 1 18 . 1 1 103 103 GLU H H 103 8.835 8.835 8.806 0.029 18269
8564 1 18 . 1 1 104 104 LYS N N 104 122.957 122.957 120.865 2.092 18269
8565 1 18 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.275 0.186 18269
8566 1 18 . 1 1 104 104 LYS CA C 104 56.274 56.274 55.842 0.432 18269
8567 1 18 . 1 1 104 104 LYS CB C 104 33.047 33.047 30.910 2.137 18269
8568 1 18 . 1 1 104 104 LYS H H 104 8.490 8.490 7.913 0.577 18269
8569 1 19 . 1 1 2 2 GLU N N 2 121.590 121.590 123.034 -1.444 18269
8570 1 19 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.644 -0.350 18269
8571 1 19 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.041 0.476 18269
8572 1 19 . 1 1 2 2 GLU CB C 2 30.151 30.151 32.965 -2.814 18269
8573 1 19 . 1 1 2 2 GLU H H 2 8.621 8.621 8.544 0.076 18269
8574 1 19 . 1 1 3 3 ALA N N 3 125.815 125.815 124.434 1.381 18269
8575 1 19 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.586 -0.220 18269
8576 1 19 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.800 0.857 18269
8577 1 19 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.977 -2.030 18269
8578 1 19 . 1 1 3 3 ALA H H 3 8.598 8.598 8.344 0.254 18269
8579 1 19 . 1 1 4 4 GLY N N 4 108.386 108.386 106.962 1.424 18269
8580 1 19 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.055 0.082 18269
8581 1 19 . 1 1 4 4 GLY H H 4 8.487 8.487 8.432 0.055 18269
8582 1 19 . 1 1 5 5 GLY N N 5 108.367 108.367 109.507 -1.140 18269
8583 1 19 . 1 1 5 5 GLY CA C 5 44.754 44.754 45.626 -0.872 18269
8584 1 19 . 1 1 5 5 GLY H H 5 8.274 8.274 8.560 -0.286 18269
8585 1 19 . 1 1 6 6 ARG N N 6 121.577 121.577 121.536 0.041 18269
8586 1 19 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.772 -0.097 18269
8587 1 19 . 1 1 6 6 ARG CA C 6 53.881 53.881 52.366 1.515 18269
8588 1 19 . 1 1 6 6 ARG CB C 6 30.135 30.135 31.048 -0.913 18269
8589 1 19 . 1 1 6 6 ARG H H 6 8.297 8.297 7.966 0.331 18269
8590 1 19 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.661 -0.170 18269
8591 1 19 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.684 0.669 18269
8592 1 19 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.936 1.111 18269
8593 1 19 . 1 1 8 8 GLY N N 8 109.658 109.658 108.334 1.324 18269
8594 1 19 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.496 -1.408 18269
8595 1 19 . 1 1 8 8 GLY H H 8 8.660 8.660 8.190 0.470 18269
8596 1 19 . 1 1 9 9 ALA N N 9 123.995 123.995 119.351 4.644 18269
8597 1 19 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.324 0.116 18269
8598 1 19 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.266 -1.469 18269
8599 1 19 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.587 0.692 18269
8600 1 19 . 1 1 9 9 ALA H H 9 8.200 8.200 8.034 0.166 18269
8601 1 19 . 1 1 10 10 ASP N N 10 119.834 119.834 117.984 1.850 18269
8602 1 19 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.673 -0.016 18269
8603 1 19 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.430 0.110 18269
8604 1 19 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.167 -0.661 18269
8605 1 19 . 1 1 10 10 ASP H H 10 8.290 8.290 8.175 0.115 18269
8606 1 19 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.811 -0.181 18269
8607 1 19 . 1 1 11 11 CYS CA C 11 54.758 54.758 57.453 -2.695 18269
8608 1 19 . 1 1 11 11 CYS CB C 11 40.460 40.460 29.065 11.395 18269
8609 1 19 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.988 -0.024 18269
8610 1 19 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.210 1.167 18269
8611 1 19 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.709 1.546 18269
8612 1 19 . 1 1 13 13 VAL N N 13 117.224 117.224 119.491 -2.267 18269
8613 1 19 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.654 0.092 18269
8614 1 19 . 1 1 13 13 VAL CA C 13 65.046 65.046 65.787 -0.741 18269
8615 1 19 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.863 0.355 18269
8616 1 19 . 1 1 13 13 VAL H H 13 7.040 7.040 8.230 -1.190 18269
8617 1 19 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.099 -0.014 18269
8618 1 19 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.610 -1.165 18269
8619 1 19 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.818 15.401 18269
8620 1 19 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.026 0.033 18269
8621 1 19 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.574 -2.003 18269
8622 1 19 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.886 0.364 18269
8623 1 19 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.268 0.063 18269
8624 1 19 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.388 -0.214 18269
8625 1 19 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.187 0.219 18269
8626 1 19 . 1 1 16 16 GLU H H 16 8.098 8.098 8.737 -0.639 18269
8627 1 19 . 1 1 17 17 PHE N N 17 120.745 120.745 121.613 -0.868 18269
8628 1 19 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.408 -0.093 18269
8629 1 19 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.775 0.739 18269
8630 1 19 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.224 1.289 18269
8631 1 19 . 1 1 17 17 PHE H H 17 9.126 9.126 8.137 0.989 18269
8632 1 19 . 1 1 18 18 LEU N N 18 115.787 115.787 119.725 -3.938 18269
8633 1 19 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.660 0.483 18269
8634 1 19 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.263 -0.386 18269
8635 1 19 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.231 -0.279 18269
8636 1 19 . 1 1 18 18 LEU H H 18 8.505 8.505 7.954 0.551 18269
8637 1 19 . 1 1 19 19 ASN N N 19 117.635 117.635 117.914 -0.279 18269
8638 1 19 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.335 0.541 18269
8639 1 19 . 1 1 19 19 ASN CA C 19 56.474 56.474 57.162 -0.688 18269
8640 1 19 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.415 -0.087 18269
8641 1 19 . 1 1 19 19 ASN H H 19 8.405 8.405 8.713 -0.308 18269
8642 1 19 . 1 1 20 20 ARG N N 20 122.851 122.851 119.809 3.042 18269
8643 1 19 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.261 -0.144 18269
8644 1 19 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.362 0.927 18269
8645 1 19 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.220 0.235 18269
8646 1 19 . 1 1 20 20 ARG H H 20 8.325 8.325 8.213 0.112 18269
8647 1 19 . 1 1 21 21 PHE N N 21 121.774 121.774 121.469 0.305 18269
8648 1 19 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.349 -0.069 18269
8649 1 19 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.911 -1.900 18269
8650 1 19 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.292 -0.281 18269
8651 1 19 . 1 1 21 21 PHE H H 21 8.438 8.438 7.758 0.680 18269
8652 1 19 . 1 1 22 22 TYR N N 22 119.937 119.937 120.534 -0.597 18269
8653 1 19 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.896 -0.107 18269
8654 1 19 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.438 0.214 18269
8655 1 19 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.421 -0.147 18269
8656 1 19 . 1 1 22 22 TYR H H 22 8.708 8.708 8.704 0.004 18269
8657 1 19 . 1 1 23 23 LYS N N 23 116.431 116.431 117.245 -0.814 18269
8658 1 19 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.869 -0.010 18269
8659 1 19 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.604 0.539 18269
8660 1 19 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.886 0.331 18269
8661 1 19 . 1 1 23 23 LYS H H 23 7.928 7.928 7.699 0.229 18269
8662 1 19 . 1 1 24 24 SER N N 24 113.888 113.888 117.873 -3.985 18269
8663 1 19 . 1 1 24 24 SER HA H 24 4.325 4.325 4.126 0.199 18269
8664 1 19 . 1 1 24 24 SER CA C 24 61.016 61.016 62.048 -1.032 18269
8665 1 19 . 1 1 24 24 SER CB C 24 62.837 62.837 62.855 -0.018 18269
8666 1 19 . 1 1 24 24 SER H H 24 7.665 7.665 8.185 -0.520 18269
8667 1 19 . 1 1 25 25 LEU N N 25 119.663 119.663 122.330 -2.667 18269
8668 1 19 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.777 -0.098 18269
8669 1 19 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.956 -0.451 18269
8670 1 19 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.372 0.530 18269
8671 1 19 . 1 1 25 25 LEU H H 25 7.573 7.573 8.101 -0.528 18269
8672 1 19 . 1 1 26 26 ILE N N 26 119.781 119.781 117.827 1.954 18269
8673 1 19 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.637 0.219 18269
8674 1 19 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.767 0.782 18269
8675 1 19 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.624 0.681 18269
8676 1 19 . 1 1 26 26 ILE H H 26 8.094 8.094 7.173 0.921 18269
8677 1 19 . 1 1 27 27 ASP N N 27 122.421 122.421 121.108 1.313 18269
8678 1 19 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.326 0.050 18269
8679 1 19 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.815 0.205 18269
8680 1 19 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.020 -0.940 18269
8681 1 19 . 1 1 27 27 ASP H H 27 9.091 9.091 8.064 1.027 18269
8682 1 19 . 1 1 28 28 ARG N N 28 115.349 115.349 117.215 -1.866 18269
8683 1 19 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.207 0.098 18269
8684 1 19 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.989 -0.491 18269
8685 1 19 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.835 0.778 18269
8686 1 19 . 1 1 28 28 ARG H H 28 7.587 7.587 8.148 -0.561 18269
8687 1 19 . 1 1 29 29 GLY N N 29 109.999 109.999 106.283 3.716 18269
8688 1 19 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.015 1.646 18269
8689 1 19 . 1 1 29 29 GLY H H 29 7.909 7.909 7.818 0.091 18269
8690 1 19 . 1 1 30 30 VAL N N 30 118.740 118.740 121.921 -3.181 18269
8691 1 19 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.103 -0.344 18269
8692 1 19 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.413 0.057 18269
8693 1 19 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.102 0.224 18269
8694 1 19 . 1 1 30 30 VAL H H 30 7.701 7.701 7.359 0.342 18269
8695 1 19 . 1 1 31 31 ASN N N 31 123.250 123.250 124.438 -1.188 18269
8696 1 19 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.688 0.025 18269
8697 1 19 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.501 0.987 18269
8698 1 19 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.645 -0.434 18269
8699 1 19 . 1 1 31 31 ASN H H 31 8.498 8.498 8.134 0.364 18269
8700 1 19 . 1 1 32 32 PHE N N 32 126.076 126.076 115.583 10.493 18269
8701 1 19 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.100 0.038 18269
8702 1 19 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.895 -2.248 18269
8703 1 19 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.901 -1.121 18269
8704 1 19 . 1 1 32 32 PHE H H 32 8.783 8.783 8.614 0.169 18269
8705 1 19 . 1 1 33 33 SER N N 33 115.958 115.958 118.032 -2.074 18269
8706 1 19 . 1 1 33 33 SER HA H 33 4.736 4.736 4.447 0.289 18269
8707 1 19 . 1 1 33 33 SER CA C 33 56.745 56.745 59.181 -2.436 18269
8708 1 19 . 1 1 33 33 SER CB C 33 64.899 64.899 63.409 1.490 18269
8709 1 19 . 1 1 33 33 SER H H 33 7.699 7.699 8.337 -0.638 18269
8710 1 19 . 1 1 34 34 LEU N N 34 124.359 124.359 128.595 -4.236 18269
8711 1 19 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.102 -0.249 18269
8712 1 19 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.423 1.248 18269
8713 1 19 . 1 1 34 34 LEU CB C 34 41.546 41.546 40.884 0.662 18269
8714 1 19 . 1 1 34 34 LEU H H 34 8.935 8.935 8.925 0.010 18269
8715 1 19 . 1 1 35 35 ASP N N 35 115.345 115.345 117.297 -1.952 18269
8716 1 19 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.397 -0.019 18269
8717 1 19 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.866 -1.008 18269
8718 1 19 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.816 -0.656 18269
8719 1 19 . 1 1 35 35 ASP H H 35 8.575 8.575 8.794 -0.219 18269
8720 1 19 . 1 1 36 36 THR N N 36 116.789 116.789 117.260 -0.471 18269
8721 1 19 . 1 1 36 36 THR HA H 36 4.015 4.015 4.250 -0.235 18269
8722 1 19 . 1 1 36 36 THR CA C 36 66.069 66.069 66.395 -0.327 18269
8723 1 19 . 1 1 36 36 THR CB C 36 68.780 68.780 68.930 -0.150 18269
8724 1 19 . 1 1 36 36 THR H H 36 7.593 7.593 7.431 0.162 18269
8725 1 19 . 1 1 37 37 ILE N N 37 120.685 120.685 122.052 -1.367 18269
8726 1 19 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.736 -0.367 18269
8727 1 19 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.987 -0.187 18269
8728 1 19 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.547 -0.456 18269
8729 1 19 . 1 1 37 37 ILE H H 37 8.436 8.436 8.710 -0.274 18269
8730 1 19 . 1 1 38 38 GLU N N 38 118.792 118.792 120.357 -1.565 18269
8731 1 19 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.970 -0.292 18269
8732 1 19 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.781 1.280 18269
8733 1 19 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.575 0.296 18269
8734 1 19 . 1 1 38 38 GLU H H 38 8.122 8.122 8.388 -0.266 18269
8735 1 19 . 1 1 39 39 LYS N N 39 116.986 116.986 120.156 -3.170 18269
8736 1 19 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.046 -0.085 18269
8737 1 19 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.308 0.438 18269
8738 1 19 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.187 0.123 18269
8739 1 19 . 1 1 39 39 LYS H H 39 7.586 7.586 7.893 -0.307 18269
8740 1 19 . 1 1 40 40 GLU N N 40 117.892 117.892 119.452 -1.560 18269
8741 1 19 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.253 -0.048 18269
8742 1 19 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.268 -0.909 18269
8743 1 19 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.613 -1.034 18269
8744 1 19 . 1 1 40 40 GLU H H 40 8.690 8.690 8.169 0.521 18269
8745 1 19 . 1 1 41 41 LEU N N 41 125.830 125.830 120.993 4.837 18269
8746 1 19 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.684 -0.137 18269
8747 1 19 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.171 -0.343 18269
8748 1 19 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.638 -1.300 18269
8749 1 19 . 1 1 41 41 LEU H H 41 8.978 8.978 8.440 0.538 18269
8750 1 19 . 1 1 42 42 ILE N N 42 119.900 119.900 119.972 -0.072 18269
8751 1 19 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.618 -0.034 18269
8752 1 19 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.329 0.504 18269
8753 1 19 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.895 -0.105 18269
8754 1 19 . 1 1 42 42 ILE H H 42 7.884 7.884 8.038 -0.154 18269
8755 1 19 . 1 1 43 43 SER N N 43 114.071 114.071 116.165 -2.094 18269
8756 1 19 . 1 1 43 43 SER HA H 43 4.277 4.277 4.151 0.126 18269
8757 1 19 . 1 1 43 43 SER CA C 43 61.598 61.598 62.417 -0.819 18269
8758 1 19 . 1 1 43 43 SER CB C 43 62.767 62.767 63.289 -0.522 18269
8759 1 19 . 1 1 43 43 SER H H 43 7.791 7.791 8.329 -0.538 18269
8760 1 19 . 1 1 44 44 PHE N N 44 125.036 125.036 123.246 1.790 18269
8761 1 19 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.400 -0.071 18269
8762 1 19 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.222 -0.965 18269
8763 1 19 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.324 1.307 18269
8764 1 19 . 1 1 44 44 PHE H H 44 9.060 9.060 8.964 0.096 18269
8765 1 19 . 1 1 45 45 CYS N N 45 112.824 112.824 118.616 -5.792 18269
8766 1 19 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.367 0.239 18269
8767 1 19 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.809 -3.573 18269
8768 1 19 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.996 16.627 18269
8769 1 19 . 1 1 45 45 CYS H H 45 8.254 8.254 8.555 -0.301 18269
8770 1 19 . 1 1 46 46 LEU N N 46 123.875 123.875 118.074 5.801 18269
8771 1 19 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.211 -0.036 18269
8772 1 19 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.756 1.395 18269
8773 1 19 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.230 0.022 18269
8774 1 19 . 1 1 46 46 LEU H H 46 7.776 7.776 7.759 0.017 18269
8775 1 19 . 1 1 47 47 ASP N N 47 116.880 116.880 118.699 -1.819 18269
8776 1 19 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.597 0.313 18269
8777 1 19 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.178 -0.593 18269
8778 1 19 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.881 0.494 18269
8779 1 19 . 1 1 47 47 ASP H H 47 7.852 7.852 8.106 -0.254 18269
8780 1 19 . 1 1 48 48 THR N N 48 108.053 108.053 115.183 -7.130 18269
8781 1 19 . 1 1 48 48 THR HA H 48 4.461 4.461 4.405 0.056 18269
8782 1 19 . 1 1 48 48 THR CA C 48 60.844 60.844 60.759 0.085 18269
8783 1 19 . 1 1 48 48 THR CB C 48 73.395 73.395 71.153 2.242 18269
8784 1 19 . 1 1 48 48 THR H H 48 7.139 7.139 7.695 -0.556 18269
8785 1 19 . 1 1 49 49 LYS N N 49 118.308 118.308 119.793 -1.485 18269
8786 1 19 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.602 0.116 18269
8787 1 19 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.331 -0.288 18269
8788 1 19 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.164 3.406 18269
8789 1 19 . 1 1 49 49 LYS H H 49 8.755 8.755 8.944 -0.189 18269
8790 1 19 . 1 1 50 50 GLY N N 50 108.996 108.996 110.420 -1.424 18269
8791 1 19 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.921 -1.078 18269
8792 1 19 . 1 1 50 50 GLY H H 50 8.866 8.866 8.668 0.198 18269
8793 1 19 . 1 1 51 51 LYS N N 51 126.155 126.155 121.102 5.053 18269
8794 1 19 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.111 -0.141 18269
8795 1 19 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.849 -0.739 18269
8796 1 19 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.863 0.756 18269
8797 1 19 . 1 1 51 51 LYS H H 51 9.254 9.254 8.797 0.457 18269
8798 1 19 . 1 1 52 52 GLU N N 52 116.496 116.496 119.736 -3.240 18269
8799 1 19 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.039 -0.516 18269
8800 1 19 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.690 -0.300 18269
8801 1 19 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.864 -1.178 18269
8802 1 19 . 1 1 52 52 GLU H H 52 8.223 8.223 8.015 0.208 18269
8803 1 19 . 1 1 53 53 ASN N N 53 119.000 119.000 118.845 0.155 18269
8804 1 19 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.704 -0.320 18269
8805 1 19 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.687 1.291 18269
8806 1 19 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.608 0.838 18269
8807 1 19 . 1 1 53 53 ASN H H 53 6.840 6.840 8.686 -1.846 18269
8808 1 19 . 1 1 54 54 ARG N N 54 118.480 118.480 119.459 -0.979 18269
8809 1 19 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.399 -0.630 18269
8810 1 19 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.062 -0.665 18269
8811 1 19 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.087 -1.347 18269
8812 1 19 . 1 1 54 54 ARG H H 54 7.456 7.456 8.355 -0.899 18269
8813 1 19 . 1 1 55 55 LEU N N 55 118.688 118.688 121.448 -2.760 18269
8814 1 19 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.314 -0.506 18269
8815 1 19 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.907 0.552 18269
8816 1 19 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.951 -1.831 18269
8817 1 19 . 1 1 55 55 LEU H H 55 7.843 7.843 7.665 0.178 18269
8818 1 19 . 1 1 56 56 CYS N N 56 115.905 115.905 116.720 -0.815 18269
8819 1 19 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.938 -0.065 18269
8820 1 19 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.689 1.348 18269
8821 1 19 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.494 17.411 18269
8822 1 19 . 1 1 56 56 CYS H H 56 7.752 7.752 7.857 -0.105 18269
8823 1 19 . 1 1 57 57 TYR N N 57 121.810 121.810 119.482 2.328 18269
8824 1 19 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.022 0.121 18269
8825 1 19 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.549 -0.234 18269
8826 1 19 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.691 -0.637 18269
8827 1 19 . 1 1 57 57 TYR H H 57 7.911 7.911 7.605 0.306 18269
8828 1 19 . 1 1 58 58 TYR N N 58 121.916 121.916 116.771 5.145 18269
8829 1 19 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.370 0.005 18269
8830 1 19 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.480 -1.472 18269
8831 1 19 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.356 -0.332 18269
8832 1 19 . 1 1 58 58 TYR H H 58 8.334 8.334 7.583 0.751 18269
8833 1 19 . 1 1 59 59 LEU N N 59 114.461 114.461 117.083 -2.622 18269
8834 1 19 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.906 0.214 18269
8835 1 19 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.646 -1.417 18269
8836 1 19 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.343 -0.298 18269
8837 1 19 . 1 1 59 59 LEU H H 59 8.079 8.079 7.945 0.134 18269
8838 1 19 . 1 1 60 60 GLY N N 60 102.559 102.559 103.847 -1.288 18269
8839 1 19 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.237 0.335 18269
8840 1 19 . 1 1 60 60 GLY H H 60 7.562 7.562 8.043 -0.481 18269
8841 1 19 . 1 1 61 61 ALA N N 61 120.327 120.327 126.753 -6.426 18269
8842 1 19 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.315 0.086 18269
8843 1 19 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.779 -0.514 18269
8844 1 19 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.589 2.748 18269
8845 1 19 . 1 1 61 61 ALA H H 61 7.995 7.995 7.798 0.197 18269
8846 1 19 . 1 1 62 62 THR N N 62 106.895 106.895 116.643 -9.748 18269
8847 1 19 . 1 1 62 62 THR HA H 62 4.518 4.518 4.330 0.188 18269
8848 1 19 . 1 1 62 62 THR CA C 62 59.982 59.982 61.160 -1.179 18269
8849 1 19 . 1 1 62 62 THR CB C 62 70.540 70.540 71.659 -1.119 18269
8850 1 19 . 1 1 62 62 THR H H 62 7.156 7.156 7.957 -0.801 18269
8851 1 19 . 1 1 63 63 LYS N N 63 121.251 121.251 123.547 -2.296 18269
8852 1 19 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.223 -0.126 18269
8853 1 19 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.718 0.555 18269
8854 1 19 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.137 0.018 18269
8855 1 19 . 1 1 63 63 LYS H H 63 8.626 8.626 8.707 -0.081 18269
8856 1 19 . 1 1 64 64 ASP N N 64 116.607 116.607 118.004 -1.397 18269
8857 1 19 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.726 -0.169 18269
8858 1 19 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.950 -0.048 18269
8859 1 19 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.323 -1.217 18269
8860 1 19 . 1 1 64 64 ASP H H 64 8.441 8.441 7.925 0.516 18269
8861 1 19 . 1 1 65 65 ALA N N 65 122.486 122.486 121.620 0.866 18269
8862 1 19 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.593 -0.508 18269
8863 1 19 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.559 1.990 18269
8864 1 19 . 1 1 65 65 ALA CB C 65 19.557 19.557 22.181 -2.624 18269
8865 1 19 . 1 1 65 65 ALA H H 65 7.368 7.368 7.392 -0.024 18269
8866 1 19 . 1 1 66 66 ALA N N 66 124.171 124.171 122.239 1.932 18269
8867 1 19 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.499 -0.055 18269
8868 1 19 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.749 0.722 18269
8869 1 19 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.972 0.293 18269
8870 1 19 . 1 1 66 66 ALA H H 66 8.300 8.300 8.680 -0.380 18269
8871 1 19 . 1 1 67 67 THR N N 67 111.638 111.638 118.721 -7.083 18269
8872 1 19 . 1 1 67 67 THR HA H 67 4.496 4.496 4.110 0.386 18269
8873 1 19 . 1 1 67 67 THR CA C 67 60.881 60.881 64.221 -3.340 18269
8874 1 19 . 1 1 67 67 THR CB C 67 70.199 70.199 68.976 1.223 18269
8875 1 19 . 1 1 67 67 THR H H 67 7.730 7.730 8.725 -0.995 18269
8876 1 19 . 1 1 68 68 LYS N N 68 121.732 121.732 122.581 -0.849 18269
8877 1 19 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.035 0.501 18269
8878 1 19 . 1 1 68 68 LYS CA C 68 56.562 56.562 60.028 -3.466 18269
8879 1 19 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.993 1.106 18269
8880 1 19 . 1 1 68 68 LYS H H 68 8.502 8.502 8.182 0.320 18269
8881 1 19 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.908 0.431 18269
8882 1 19 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.283 -1.577 18269
8883 1 19 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.853 -0.054 18269
8884 1 19 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.016 0.115 18269
8885 1 19 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.593 1.024 18269
8886 1 19 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.413 0.325 18269
8887 1 19 . 1 1 71 71 SER HA H 71 4.817 4.817 4.409 0.408 18269
8888 1 19 . 1 1 71 71 SER CA C 71 60.667 60.667 61.347 -0.680 18269
8889 1 19 . 1 1 71 71 SER CB C 71 62.646 62.646 62.526 0.120 18269
8890 1 19 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.146 0.118 18269
8891 1 19 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.412 -1.783 18269
8892 1 19 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.338 -1.091 18269
8893 1 19 . 1 1 73 73 VAL N N 73 114.786 114.786 116.831 -2.045 18269
8894 1 19 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.051 0.051 18269
8895 1 19 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.193 -1.452 18269
8896 1 19 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.471 0.794 18269
8897 1 19 . 1 1 73 73 VAL H H 73 7.812 7.812 7.585 0.227 18269
8898 1 19 . 1 1 74 74 THR HA H 74 3.767 3.767 3.992 -0.225 18269
8899 1 19 . 1 1 74 74 THR CA C 74 65.584 65.584 66.089 -0.505 18269
8900 1 19 . 1 1 74 74 THR CB C 74 67.470 67.470 68.482 -1.012 18269
8901 1 19 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.174 0.072 18269
8902 1 19 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.355 1.028 18269
8903 1 19 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.564 1.056 18269
8904 1 19 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.243 0.242 18269
8905 1 19 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.767 -0.070 18269
8906 1 19 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.345 -0.450 18269
8907 1 19 . 1 1 77 77 MET N N 77 117.583 117.583 113.247 4.336 18269
8908 1 19 . 1 1 77 77 MET HA H 77 4.684 4.684 4.468 0.216 18269
8909 1 19 . 1 1 77 77 MET CA C 77 59.347 59.347 56.260 3.087 18269
8910 1 19 . 1 1 77 77 MET CB C 77 32.996 32.996 31.323 1.673 18269
8911 1 19 . 1 1 77 77 MET H H 77 7.685 7.685 8.179 -0.494 18269
8912 1 19 . 1 1 78 78 SER N N 78 114.578 114.578 114.140 0.438 18269
8913 1 19 . 1 1 78 78 SER HA H 78 4.226 4.226 4.211 0.015 18269
8914 1 19 . 1 1 78 78 SER CA C 78 61.922 61.922 60.001 1.921 18269
8915 1 19 . 1 1 78 78 SER CB C 78 62.406 62.406 63.914 -1.508 18269
8916 1 19 . 1 1 78 78 SER H H 78 8.285 8.285 7.680 0.605 18269
8917 1 19 . 1 1 79 79 VAL N N 79 111.248 111.248 117.966 -6.718 18269
8918 1 19 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.201 0.550 18269
8919 1 19 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.832 0.294 18269
8920 1 19 . 1 1 79 79 VAL CB C 79 30.346 30.346 33.059 -2.712 18269
8921 1 19 . 1 1 79 79 VAL H H 79 7.004 7.004 7.609 -0.605 18269
8922 1 19 . 1 1 80 80 HIS N N 80 116.703 116.703 119.576 -2.873 18269
8923 1 19 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.549 -0.433 18269
8924 1 19 . 1 1 80 80 HIS CA C 80 56.826 56.826 59.946 -3.119 18269
8925 1 19 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.223 -4.334 18269
8926 1 19 . 1 1 80 80 HIS H H 80 8.289 8.289 8.503 -0.214 18269
8927 1 19 . 1 1 81 81 MET N N 81 120.978 120.978 115.437 5.541 18269
8928 1 19 . 1 1 81 81 MET HA H 81 4.512 4.512 4.351 0.161 18269
8929 1 19 . 1 1 81 81 MET CA C 81 55.007 55.007 55.874 -0.867 18269
8930 1 19 . 1 1 81 81 MET CB C 81 33.265 33.265 30.762 2.503 18269
8931 1 19 . 1 1 81 81 MET H H 81 8.006 8.006 8.365 -0.359 18269
8932 1 19 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.187 0.154 18269
8933 1 19 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.907 -1.671 18269
8934 1 19 . 1 1 82 82 PRO CB C 82 32.663 32.663 31.027 1.636 18269
8935 1 19 . 1 1 83 83 ALA N N 83 126.545 126.545 119.890 6.655 18269
8936 1 19 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.846 0.100 18269
8937 1 19 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.615 1.358 18269
8938 1 19 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.080 1.395 18269
8939 1 19 . 1 1 83 83 ALA H H 83 9.196 9.196 7.916 1.280 18269
8940 1 19 . 1 1 84 84 MET N N 84 114.734 114.734 116.647 -1.913 18269
8941 1 19 . 1 1 84 84 MET HA H 84 4.024 4.024 4.356 -0.332 18269
8942 1 19 . 1 1 84 84 MET CA C 84 58.812 58.812 58.613 0.199 18269
8943 1 19 . 1 1 84 84 MET CB C 84 32.242 32.242 32.624 -0.382 18269
8944 1 19 . 1 1 84 84 MET H H 84 9.289 9.289 7.784 1.505 18269
8945 1 19 . 1 1 85 85 LYS N N 85 116.490 116.490 118.340 -1.850 18269
8946 1 19 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.127 0.047 18269
8947 1 19 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.677 -0.561 18269
8948 1 19 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.376 0.417 18269
8949 1 19 . 1 1 85 85 LYS H H 85 6.997 6.997 8.058 -1.061 18269
8950 1 19 . 1 1 86 86 ILE N N 86 120.561 120.561 120.694 -0.133 18269
8951 1 19 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.637 -0.022 18269
8952 1 19 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.004 1.274 18269
8953 1 19 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.556 -0.036 18269
8954 1 19 . 1 1 86 86 ILE H H 86 7.875 7.875 7.855 0.020 18269
8955 1 19 . 1 1 87 87 CYS N N 87 117.323 117.323 118.096 -0.773 18269
8956 1 19 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.158 -0.082 18269
8957 1 19 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.700 -0.640 18269
8958 1 19 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.653 17.080 18269
8959 1 19 . 1 1 87 87 CYS H H 87 8.643 8.643 7.849 0.794 18269
8960 1 19 . 1 1 88 88 GLU N N 88 118.070 118.070 120.818 -2.748 18269
8961 1 19 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.043 -0.095 18269
8962 1 19 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.224 0.540 18269
8963 1 19 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.294 0.470 18269
8964 1 19 . 1 1 88 88 GLU H H 88 8.045 8.045 8.117 -0.072 18269
8965 1 19 . 1 1 89 89 LYS N N 89 119.719 119.719 118.473 1.246 18269
8966 1 19 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.094 0.044 18269
8967 1 19 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.817 0.313 18269
8968 1 19 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.299 -0.596 18269
8969 1 19 . 1 1 89 89 LYS H H 89 7.530 7.530 8.105 -0.575 18269
8970 1 19 . 1 1 90 90 LEU N N 90 119.550 119.550 119.024 0.526 18269
8971 1 19 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.148 -0.183 18269
8972 1 19 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.250 0.093 18269
8973 1 19 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.950 -0.959 18269
8974 1 19 . 1 1 90 90 LEU H H 90 8.422 8.422 7.894 0.528 18269
8975 1 19 . 1 1 91 91 LYS N N 91 119.180 119.180 120.197 -1.017 18269
8976 1 19 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.327 -0.465 18269
8977 1 19 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.212 -0.607 18269
8978 1 19 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.949 0.528 18269
8979 1 19 . 1 1 91 91 LYS H H 91 8.218 8.218 7.970 0.248 18269
8980 1 19 . 1 1 92 92 LYS N N 92 113.632 113.632 119.544 -5.912 18269
8981 1 19 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.107 -0.054 18269
8982 1 19 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.660 -1.102 18269
8983 1 19 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.033 -0.099 18269
8984 1 19 . 1 1 92 92 LYS H H 92 6.984 6.984 7.521 -0.537 18269
8985 1 19 . 1 1 93 93 LEU N N 93 119.104 119.104 117.403 1.701 18269
8986 1 19 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.405 -0.115 18269
8987 1 19 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.173 -0.069 18269
8988 1 19 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.506 -1.404 18269
8989 1 19 . 1 1 93 93 LEU H H 93 7.456 7.456 7.507 -0.051 18269
8990 1 19 . 1 1 94 94 ASP N N 94 116.790 116.790 118.907 -2.117 18269
8991 1 19 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.727 -0.171 18269
8992 1 19 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.375 0.991 18269
8993 1 19 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.621 -1.448 18269
8994 1 19 . 1 1 94 94 ASP H H 94 7.911 7.911 8.346 -0.435 18269
8995 1 19 . 1 1 95 95 SER N N 95 122.399 122.399 121.674 0.725 18269
8996 1 19 . 1 1 95 95 SER HA H 95 4.186 4.186 4.345 -0.159 18269
8997 1 19 . 1 1 95 95 SER CA C 95 61.472 61.472 60.252 1.220 18269
8998 1 19 . 1 1 95 95 SER CB C 95 62.568 62.568 63.495 -0.927 18269
8999 1 19 . 1 1 95 95 SER H H 95 8.894 8.894 8.761 0.133 18269
9000 1 19 . 1 1 96 96 GLN N N 96 120.800 120.800 121.814 -1.014 18269
9001 1 19 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.138 -0.276 18269
9002 1 19 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.520 0.631 18269
9003 1 19 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.654 -0.237 18269
9004 1 19 . 1 1 96 96 GLN H H 96 8.610 8.610 7.826 0.784 18269
9005 1 19 . 1 1 97 97 ILE N N 97 117.387 117.387 118.614 -1.227 18269
9006 1 19 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.546 -0.147 18269
9007 1 19 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.684 2.147 18269
9008 1 19 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.020 0.254 18269
9009 1 19 . 1 1 97 97 ILE H H 97 7.470 7.470 8.292 -0.822 18269
9010 1 19 . 1 1 98 98 CYS N N 98 113.485 113.485 117.635 -4.150 18269
9011 1 19 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.238 0.833 18269
9012 1 19 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.872 2.101 18269
9013 1 19 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.783 21.803 18269
9014 1 19 . 1 1 98 98 CYS H H 98 7.410 7.410 7.700 -0.290 18269
9015 1 19 . 1 1 99 99 GLU N N 99 119.123 119.123 119.675 -0.552 18269
9016 1 19 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.368 -0.045 18269
9017 1 19 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.144 0.582 18269
9018 1 19 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.369 1.610 18269
9019 1 19 . 1 1 99 99 GLU H H 99 7.308 7.308 8.007 -0.699 18269
9020 1 19 . 1 1 100 100 LEU N N 100 115.771 115.771 120.752 -4.981 18269
9021 1 19 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.213 0.084 18269
9022 1 19 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.392 0.290 18269
9023 1 19 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.579 0.382 18269
9024 1 19 . 1 1 100 100 LEU H H 100 6.496 6.496 7.478 -0.982 18269
9025 1 19 . 1 1 101 101 LYS N N 101 125.672 125.672 114.224 11.448 18269
9026 1 19 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.936 0.658 18269
9027 1 19 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.004 -1.654 18269
9028 1 19 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.768 4.955 18269
9029 1 19 . 1 1 101 101 LYS H H 101 8.575 8.575 8.019 0.556 18269
9030 1 19 . 1 1 102 102 TYR N N 102 120.395 120.395 121.601 -1.206 18269
9031 1 19 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.366 0.016 18269
9032 1 19 . 1 1 102 102 TYR CA C 102 60.024 60.024 57.910 2.114 18269
9033 1 19 . 1 1 102 102 TYR CB C 102 38.328 38.328 36.321 2.007 18269
9034 1 19 . 1 1 102 102 TYR H H 102 8.756 8.756 8.899 -0.143 18269
9035 1 19 . 1 1 103 103 GLU N N 103 121.550 121.550 116.576 4.974 18269
9036 1 19 . 1 1 103 103 GLU HA H 103 4.392 4.392 3.867 0.525 18269
9037 1 19 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.099 -0.772 18269
9038 1 19 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.530 2.772 18269
9039 1 19 . 1 1 103 103 GLU H H 103 8.835 8.835 8.114 0.721 18269
9040 1 19 . 1 1 104 104 LYS N N 104 122.957 122.957 118.278 4.679 18269
9041 1 19 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.204 0.257 18269
9042 1 19 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.002 -0.728 18269
9043 1 19 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.610 0.437 18269
9044 1 19 . 1 1 104 104 LYS H H 104 8.490 8.490 8.192 0.298 18269
9045 1 20 . 1 1 2 2 GLU N N 2 121.590 121.590 120.306 1.284 18269
9046 1 20 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.186 0.108 18269
9047 1 20 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.072 -0.555 18269
9048 1 20 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.614 0.537 18269
9049 1 20 . 1 1 2 2 GLU H H 2 8.621 8.621 8.498 0.123 18269
9050 1 20 . 1 1 3 3 ALA N N 3 125.815 125.815 127.951 -2.136 18269
9051 1 20 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.178 0.188 18269
9052 1 20 . 1 1 3 3 ALA CA C 3 52.657 52.657 53.074 -0.417 18269
9053 1 20 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.243 -0.296 18269
9054 1 20 . 1 1 3 3 ALA H H 3 8.598 8.598 8.318 0.280 18269
9055 1 20 . 1 1 4 4 GLY N N 4 108.386 108.386 111.120 -2.734 18269
9056 1 20 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.812 -0.675 18269
9057 1 20 . 1 1 4 4 GLY H H 4 8.487 8.487 8.594 -0.107 18269
9058 1 20 . 1 1 5 5 GLY N N 5 108.367 108.367 109.671 -1.304 18269
9059 1 20 . 1 1 5 5 GLY CA C 5 44.754 44.754 45.553 -0.798 18269
9060 1 20 . 1 1 5 5 GLY H H 5 8.274 8.274 7.895 0.379 18269
9061 1 20 . 1 1 6 6 ARG N N 6 121.577 121.577 120.277 1.300 18269
9062 1 20 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.821 -0.146 18269
9063 1 20 . 1 1 6 6 ARG CA C 6 53.881 53.881 54.458 -0.577 18269
9064 1 20 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.935 -0.800 18269
9065 1 20 . 1 1 6 6 ARG H H 6 8.297 8.297 8.250 0.047 18269
9066 1 20 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.724 -0.233 18269
9067 1 20 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.423 0.930 18269
9068 1 20 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.452 1.595 18269
9069 1 20 . 1 1 8 8 GLY N N 8 109.658 109.658 107.420 2.238 18269
9070 1 20 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.534 -0.446 18269
9071 1 20 . 1 1 8 8 GLY H H 8 8.660 8.660 8.124 0.536 18269
9072 1 20 . 1 1 9 9 ALA N N 9 123.995 123.995 120.784 3.211 18269
9073 1 20 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.612 -0.172 18269
9074 1 20 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.408 -0.611 18269
9075 1 20 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.036 0.243 18269
9076 1 20 . 1 1 9 9 ALA H H 9 8.200 8.200 7.406 0.794 18269
9077 1 20 . 1 1 10 10 ASP N N 10 119.834 119.834 118.987 0.847 18269
9078 1 20 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.716 -0.059 18269
9079 1 20 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.266 -0.726 18269
9080 1 20 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.672 -1.166 18269
9081 1 20 . 1 1 10 10 ASP H H 10 8.290 8.290 8.497 -0.207 18269
9082 1 20 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.411 0.219 18269
9083 1 20 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.365 -5.607 18269
9084 1 20 . 1 1 11 11 CYS CB C 11 40.460 40.460 24.766 15.694 18269
9085 1 20 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.776 0.188 18269
9086 1 20 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.274 2.103 18269
9087 1 20 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.544 2.711 18269
9088 1 20 . 1 1 13 13 VAL N N 13 117.224 117.224 118.443 -1.219 18269
9089 1 20 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.754 -0.008 18269
9090 1 20 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.706 -1.660 18269
9091 1 20 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.533 -0.315 18269
9092 1 20 . 1 1 13 13 VAL H H 13 7.040 7.040 8.223 -1.183 18269
9093 1 20 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.166 -0.081 18269
9094 1 20 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.431 -0.986 18269
9095 1 20 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.253 14.966 18269
9096 1 20 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.085 -0.026 18269
9097 1 20 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.870 -2.300 18269
9098 1 20 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.800 0.450 18269
9099 1 20 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.089 0.242 18269
9100 1 20 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.628 -0.454 18269
9101 1 20 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.473 -0.067 18269
9102 1 20 . 1 1 16 16 GLU H H 16 8.098 8.098 8.414 -0.316 18269
9103 1 20 . 1 1 17 17 PHE N N 17 120.745 120.745 120.732 0.013 18269
9104 1 20 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.497 -0.182 18269
9105 1 20 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.065 0.449 18269
9106 1 20 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.245 1.268 18269
9107 1 20 . 1 1 17 17 PHE H H 17 9.126 9.126 7.977 1.149 18269
9108 1 20 . 1 1 18 18 LEU N N 18 115.787 115.787 119.585 -3.798 18269
9109 1 20 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.002 0.141 18269
9110 1 20 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.740 -0.863 18269
9111 1 20 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.453 -0.501 18269
9112 1 20 . 1 1 18 18 LEU H H 18 8.505 8.505 8.844 -0.339 18269
9113 1 20 . 1 1 19 19 ASN N N 19 117.635 117.635 116.565 1.070 18269
9114 1 20 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.397 0.479 18269
9115 1 20 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.502 -0.028 18269
9116 1 20 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.901 -0.573 18269
9117 1 20 . 1 1 19 19 ASN H H 19 8.405 8.405 8.145 0.260 18269
9118 1 20 . 1 1 20 20 ARG N N 20 122.851 122.851 120.316 2.535 18269
9119 1 20 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.325 -0.208 18269
9120 1 20 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.459 0.830 18269
9121 1 20 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.285 0.170 18269
9122 1 20 . 1 1 20 20 ARG H H 20 8.325 8.325 7.875 0.450 18269
9123 1 20 . 1 1 21 21 PHE N N 21 121.774 121.774 121.086 0.688 18269
9124 1 20 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.631 0.649 18269
9125 1 20 . 1 1 21 21 PHE CA C 21 59.011 59.011 59.758 -0.747 18269
9126 1 20 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.162 -0.151 18269
9127 1 20 . 1 1 21 21 PHE H H 21 8.438 8.438 8.390 0.048 18269
9128 1 20 . 1 1 22 22 TYR N N 22 119.937 119.937 120.518 -0.581 18269
9129 1 20 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.672 0.117 18269
9130 1 20 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.544 -0.892 18269
9131 1 20 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.437 -0.163 18269
9132 1 20 . 1 1 22 22 TYR H H 22 8.708 8.708 8.345 0.363 18269
9133 1 20 . 1 1 23 23 LYS N N 23 116.431 116.431 117.467 -1.036 18269
9134 1 20 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.000 -0.141 18269
9135 1 20 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.824 0.319 18269
9136 1 20 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.441 0.776 18269
9137 1 20 . 1 1 23 23 LYS H H 23 7.928 7.928 8.513 -0.585 18269
9138 1 20 . 1 1 24 24 SER N N 24 113.888 113.888 116.195 -2.307 18269
9139 1 20 . 1 1 24 24 SER HA H 24 4.325 4.325 4.226 0.099 18269
9140 1 20 . 1 1 24 24 SER CA C 24 61.016 61.016 61.712 -0.696 18269
9141 1 20 . 1 1 24 24 SER CB C 24 62.837 62.837 62.968 -0.131 18269
9142 1 20 . 1 1 24 24 SER H H 24 7.665 7.665 7.502 0.163 18269
9143 1 20 . 1 1 25 25 LEU N N 25 119.663 119.663 123.485 -3.822 18269
9144 1 20 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.857 -0.178 18269
9145 1 20 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.974 -0.469 18269
9146 1 20 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.991 0.911 18269
9147 1 20 . 1 1 25 25 LEU H H 25 7.573 7.573 7.878 -0.305 18269
9148 1 20 . 1 1 26 26 ILE N N 26 119.781 119.781 118.225 1.556 18269
9149 1 20 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.657 0.199 18269
9150 1 20 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.073 0.476 18269
9151 1 20 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.536 0.769 18269
9152 1 20 . 1 1 26 26 ILE H H 26 8.094 8.094 7.612 0.482 18269
9153 1 20 . 1 1 27 27 ASP N N 27 122.421 122.421 120.353 2.068 18269
9154 1 20 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.411 -0.035 18269
9155 1 20 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.547 0.473 18269
9156 1 20 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.095 -1.015 18269
9157 1 20 . 1 1 27 27 ASP H H 27 9.091 9.091 7.680 1.411 18269
9158 1 20 . 1 1 28 28 ARG N N 28 115.349 115.349 117.631 -2.282 18269
9159 1 20 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.139 0.166 18269
9160 1 20 . 1 1 28 28 ARG CA C 28 56.498 56.498 57.395 -0.897 18269
9161 1 20 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.846 0.767 18269
9162 1 20 . 1 1 28 28 ARG H H 28 7.587 7.587 8.326 -0.739 18269
9163 1 20 . 1 1 29 29 GLY N N 29 109.999 109.999 106.156 3.843 18269
9164 1 20 . 1 1 29 29 GLY CA C 29 46.661 46.661 44.947 1.714 18269
9165 1 20 . 1 1 29 29 GLY H H 29 7.909 7.909 8.039 -0.130 18269
9166 1 20 . 1 1 30 30 VAL N N 30 118.740 118.740 118.102 0.638 18269
9167 1 20 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.330 -0.571 18269
9168 1 20 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.586 1.884 18269
9169 1 20 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.907 -0.581 18269
9170 1 20 . 1 1 30 30 VAL H H 30 7.701 7.701 7.376 0.325 18269
9171 1 20 . 1 1 31 31 ASN N N 31 123.250 123.250 117.367 5.883 18269
9172 1 20 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.292 0.421 18269
9173 1 20 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.819 -0.331 18269
9174 1 20 . 1 1 31 31 ASN CB C 31 39.211 39.211 37.365 1.846 18269
9175 1 20 . 1 1 31 31 ASN H H 31 8.498 8.498 8.705 -0.207 18269
9176 1 20 . 1 1 32 32 PHE N N 32 126.076 126.076 121.052 5.024 18269
9177 1 20 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.557 -0.419 18269
9178 1 20 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.613 0.034 18269
9179 1 20 . 1 1 32 32 PHE CB C 32 36.779 36.779 39.671 -2.892 18269
9180 1 20 . 1 1 32 32 PHE H H 32 8.783 8.783 8.511 0.272 18269
9181 1 20 . 1 1 33 33 SER N N 33 115.958 115.958 118.644 -2.686 18269
9182 1 20 . 1 1 33 33 SER HA H 33 4.736 4.736 4.492 0.244 18269
9183 1 20 . 1 1 33 33 SER CA C 33 56.745 56.745 57.403 -0.658 18269
9184 1 20 . 1 1 33 33 SER CB C 33 64.899 64.899 63.656 1.243 18269
9185 1 20 . 1 1 33 33 SER H H 33 7.699 7.699 8.199 -0.500 18269
9186 1 20 . 1 1 34 34 LEU N N 34 124.359 124.359 128.241 -3.882 18269
9187 1 20 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.121 -0.268 18269
9188 1 20 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.084 1.587 18269
9189 1 20 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.439 0.107 18269
9190 1 20 . 1 1 34 34 LEU H H 34 8.935 8.935 8.882 0.053 18269
9191 1 20 . 1 1 35 35 ASP N N 35 115.345 115.345 116.411 -1.066 18269
9192 1 20 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.449 -0.071 18269
9193 1 20 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.615 -0.757 18269
9194 1 20 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.330 -0.170 18269
9195 1 20 . 1 1 35 35 ASP H H 35 8.575 8.575 8.626 -0.051 18269
9196 1 20 . 1 1 36 36 THR N N 36 116.789 116.789 116.598 0.191 18269
9197 1 20 . 1 1 36 36 THR HA H 36 4.015 4.015 4.199 -0.184 18269
9198 1 20 . 1 1 36 36 THR CA C 36 66.069 66.069 66.348 -0.279 18269
9199 1 20 . 1 1 36 36 THR CB C 36 68.780 68.780 68.890 -0.110 18269
9200 1 20 . 1 1 36 36 THR H H 36 7.593 7.593 7.215 0.378 18269
9201 1 20 . 1 1 37 37 ILE N N 37 120.685 120.685 121.815 -1.130 18269
9202 1 20 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.838 -0.469 18269
9203 1 20 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.540 2.260 18269
9204 1 20 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.551 0.540 18269
9205 1 20 . 1 1 37 37 ILE H H 37 8.436 8.436 8.434 0.002 18269
9206 1 20 . 1 1 38 38 GLU N N 38 118.792 118.792 120.703 -1.911 18269
9207 1 20 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.921 -0.243 18269
9208 1 20 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.046 1.014 18269
9209 1 20 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.437 0.434 18269
9210 1 20 . 1 1 38 38 GLU H H 38 8.122 8.122 8.128 -0.006 18269
9211 1 20 . 1 1 39 39 LYS N N 39 116.986 116.986 118.539 -1.553 18269
9212 1 20 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.192 -0.231 18269
9213 1 20 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.424 1.322 18269
9214 1 20 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.036 0.274 18269
9215 1 20 . 1 1 39 39 LYS H H 39 7.586 7.586 7.497 0.089 18269
9216 1 20 . 1 1 40 40 GLU N N 40 117.892 117.892 120.750 -2.858 18269
9217 1 20 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.236 -0.031 18269
9218 1 20 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.197 -0.838 18269
9219 1 20 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.359 -0.780 18269
9220 1 20 . 1 1 40 40 GLU H H 40 8.690 8.690 8.724 -0.034 18269
9221 1 20 . 1 1 41 41 LEU N N 41 125.830 125.830 120.013 5.817 18269
9222 1 20 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.845 -0.298 18269
9223 1 20 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.849 -0.021 18269
9224 1 20 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.740 -1.402 18269
9225 1 20 . 1 1 41 41 LEU H H 41 8.978 8.978 8.556 0.422 18269
9226 1 20 . 1 1 42 42 ILE N N 42 119.900 119.900 119.170 0.730 18269
9227 1 20 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.632 -0.048 18269
9228 1 20 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.079 0.753 18269
9229 1 20 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.748 0.042 18269
9230 1 20 . 1 1 42 42 ILE H H 42 7.884 7.884 7.425 0.459 18269
9231 1 20 . 1 1 43 43 SER N N 43 114.071 114.071 116.116 -2.045 18269
9232 1 20 . 1 1 43 43 SER HA H 43 4.277 4.277 4.195 0.082 18269
9233 1 20 . 1 1 43 43 SER CA C 43 61.598 61.598 62.293 -0.695 18269
9234 1 20 . 1 1 43 43 SER CB C 43 62.767 62.767 63.428 -0.662 18269
9235 1 20 . 1 1 43 43 SER H H 43 7.791 7.791 8.517 -0.726 18269
9236 1 20 . 1 1 44 44 PHE N N 44 125.036 125.036 121.634 3.402 18269
9237 1 20 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.341 -0.012 18269
9238 1 20 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.368 -0.111 18269
9239 1 20 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.216 1.415 18269
9240 1 20 . 1 1 44 44 PHE H H 44 9.060 9.060 9.017 0.043 18269
9241 1 20 . 1 1 45 45 CYS N N 45 112.824 112.824 119.442 -6.618 18269
9242 1 20 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.516 0.090 18269
9243 1 20 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.514 -2.278 18269
9244 1 20 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.854 16.769 18269
9245 1 20 . 1 1 45 45 CYS H H 45 8.254 8.254 8.263 -0.009 18269
9246 1 20 . 1 1 46 46 LEU N N 46 123.875 123.875 120.076 3.799 18269
9247 1 20 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.331 -0.156 18269
9248 1 20 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.819 1.332 18269
9249 1 20 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.712 0.539 18269
9250 1 20 . 1 1 46 46 LEU H H 46 7.776 7.776 7.699 0.077 18269
9251 1 20 . 1 1 47 47 ASP N N 47 116.880 116.880 121.775 -4.895 18269
9252 1 20 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.584 0.326 18269
9253 1 20 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.977 -1.392 18269
9254 1 20 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.452 0.923 18269
9255 1 20 . 1 1 47 47 ASP H H 47 7.852 7.852 8.107 -0.255 18269
9256 1 20 . 1 1 48 48 THR N N 48 108.053 108.053 110.576 -2.523 18269
9257 1 20 . 1 1 48 48 THR HA H 48 4.461 4.461 4.432 0.029 18269
9258 1 20 . 1 1 48 48 THR CA C 48 60.844 60.844 60.235 0.609 18269
9259 1 20 . 1 1 48 48 THR CB C 48 73.395 73.395 71.920 1.475 18269
9260 1 20 . 1 1 48 48 THR H H 48 7.139 7.139 7.693 -0.554 18269
9261 1 20 . 1 1 49 49 LYS N N 49 118.308 118.308 119.128 -0.820 18269
9262 1 20 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.537 0.181 18269
9263 1 20 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.618 -0.574 18269
9264 1 20 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.682 2.888 18269
9265 1 20 . 1 1 49 49 LYS H H 49 8.755 8.755 9.210 -0.455 18269
9266 1 20 . 1 1 50 50 GLY N N 50 108.996 108.996 110.257 -1.261 18269
9267 1 20 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.847 -1.004 18269
9268 1 20 . 1 1 50 50 GLY H H 50 8.866 8.866 8.620 0.246 18269
9269 1 20 . 1 1 51 51 LYS N N 51 126.155 126.155 121.078 5.077 18269
9270 1 20 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.238 -0.268 18269
9271 1 20 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.372 -1.262 18269
9272 1 20 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.306 0.313 18269
9273 1 20 . 1 1 51 51 LYS H H 51 9.254 9.254 8.747 0.507 18269
9274 1 20 . 1 1 52 52 GLU N N 52 116.496 116.496 119.539 -3.043 18269
9275 1 20 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.309 -0.786 18269
9276 1 20 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.195 0.195 18269
9277 1 20 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.866 -1.180 18269
9278 1 20 . 1 1 52 52 GLU H H 52 8.223 8.223 8.041 0.182 18269
9279 1 20 . 1 1 53 53 ASN N N 53 119.000 119.000 119.620 -0.620 18269
9280 1 20 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.810 -0.426 18269
9281 1 20 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.966 1.012 18269
9282 1 20 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.630 0.816 18269
9283 1 20 . 1 1 53 53 ASN H H 53 6.840 6.840 8.895 -2.055 18269
9284 1 20 . 1 1 54 54 ARG N N 54 118.480 118.480 120.206 -1.726 18269
9285 1 20 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.170 -0.401 18269
9286 1 20 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.127 -0.730 18269
9287 1 20 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.503 -0.763 18269
9288 1 20 . 1 1 54 54 ARG H H 54 7.456 7.456 8.246 -0.790 18269
9289 1 20 . 1 1 55 55 LEU N N 55 118.688 118.688 120.267 -1.579 18269
9290 1 20 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.420 -0.612 18269
9291 1 20 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.274 0.185 18269
9292 1 20 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.789 -1.669 18269
9293 1 20 . 1 1 55 55 LEU H H 55 7.843 7.843 8.092 -0.249 18269
9294 1 20 . 1 1 56 56 CYS N N 56 115.905 115.905 117.645 -1.740 18269
9295 1 20 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.897 -0.024 18269
9296 1 20 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.554 2.483 18269
9297 1 20 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.288 16.617 18269
9298 1 20 . 1 1 56 56 CYS H H 56 7.752 7.752 7.796 -0.044 18269
9299 1 20 . 1 1 57 57 TYR N N 57 121.810 121.810 120.181 1.629 18269
9300 1 20 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.271 -0.128 18269
9301 1 20 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.421 0.894 18269
9302 1 20 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.270 -0.216 18269
9303 1 20 . 1 1 57 57 TYR H H 57 7.911 7.911 7.791 0.120 18269
9304 1 20 . 1 1 58 58 TYR N N 58 121.916 121.916 117.136 4.780 18269
9305 1 20 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.315 0.060 18269
9306 1 20 . 1 1 58 58 TYR CA C 58 59.009 59.009 61.343 -2.334 18269
9307 1 20 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.692 -0.668 18269
9308 1 20 . 1 1 58 58 TYR H H 58 8.334 8.334 7.831 0.503 18269
9309 1 20 . 1 1 59 59 LEU N N 59 114.461 114.461 115.819 -1.358 18269
9310 1 20 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.335 -0.215 18269
9311 1 20 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.320 -0.091 18269
9312 1 20 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.838 0.207 18269
9313 1 20 . 1 1 59 59 LEU H H 59 8.079 8.079 7.523 0.556 18269
9314 1 20 . 1 1 60 60 GLY N N 60 102.559 102.559 104.531 -1.972 18269
9315 1 20 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.910 0.662 18269
9316 1 20 . 1 1 60 60 GLY H H 60 7.562 7.562 7.646 -0.084 18269
9317 1 20 . 1 1 61 61 ALA N N 61 120.327 120.327 123.861 -3.534 18269
9318 1 20 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.611 -0.210 18269
9319 1 20 . 1 1 61 61 ALA CA C 61 51.265 51.265 50.650 0.615 18269
9320 1 20 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.334 0.003 18269
9321 1 20 . 1 1 61 61 ALA H H 61 7.995 7.995 7.721 0.274 18269
9322 1 20 . 1 1 62 62 THR N N 62 106.895 106.895 106.777 0.118 18269
9323 1 20 . 1 1 62 62 THR HA H 62 4.518 4.518 3.721 0.797 18269
9324 1 20 . 1 1 62 62 THR CA C 62 59.982 59.982 62.595 -2.613 18269
9325 1 20 . 1 1 62 62 THR CB C 62 70.540 70.540 67.437 3.103 18269
9326 1 20 . 1 1 62 62 THR H H 62 7.156 7.156 8.600 -1.444 18269
9327 1 20 . 1 1 63 63 LYS N N 63 121.251 121.251 117.997 3.254 18269
9328 1 20 . 1 1 63 63 LYS HA H 63 4.097 4.097 3.824 0.273 18269
9329 1 20 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.469 0.802 18269
9330 1 20 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.151 0.004 18269
9331 1 20 . 1 1 63 63 LYS H H 63 8.626 8.626 7.555 1.071 18269
9332 1 20 . 1 1 64 64 ASP N N 64 116.607 116.607 115.554 1.053 18269
9333 1 20 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.229 0.328 18269
9334 1 20 . 1 1 64 64 ASP CA C 64 53.902 53.902 56.023 -2.120 18269
9335 1 20 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.545 -0.439 18269
9336 1 20 . 1 1 64 64 ASP H H 64 8.441 8.441 8.669 -0.228 18269
9337 1 20 . 1 1 65 65 ALA N N 65 122.486 122.486 122.098 0.388 18269
9338 1 20 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.238 -0.153 18269
9339 1 20 . 1 1 65 65 ALA CA C 65 52.549 52.549 52.319 0.230 18269
9340 1 20 . 1 1 65 65 ALA CB C 65 19.557 19.557 19.696 -0.139 18269
9341 1 20 . 1 1 65 65 ALA H H 65 7.368 7.368 7.849 -0.481 18269
9342 1 20 . 1 1 66 66 ALA N N 66 124.171 124.171 123.324 0.847 18269
9343 1 20 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.185 0.259 18269
9344 1 20 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.479 -0.008 18269
9345 1 20 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.779 0.486 18269
9346 1 20 . 1 1 66 66 ALA H H 66 8.300 8.300 8.454 -0.154 18269
9347 1 20 . 1 1 67 67 THR N N 67 111.638 111.638 117.954 -6.316 18269
9348 1 20 . 1 1 67 67 THR HA H 67 4.496 4.496 3.957 0.539 18269
9349 1 20 . 1 1 67 67 THR CA C 67 60.881 60.881 63.859 -2.978 18269
9350 1 20 . 1 1 67 67 THR CB C 67 70.199 70.199 68.826 1.373 18269
9351 1 20 . 1 1 67 67 THR H H 67 7.730 7.730 8.563 -0.833 18269
9352 1 20 . 1 1 68 68 LYS N N 68 121.732 121.732 123.445 -1.713 18269
9353 1 20 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.028 0.508 18269
9354 1 20 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.851 -3.289 18269
9355 1 20 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.177 0.922 18269
9356 1 20 . 1 1 68 68 LYS H H 68 8.502 8.502 8.239 0.263 18269
9357 1 20 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.951 0.388 18269
9358 1 20 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.108 -1.401 18269
9359 1 20 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.066 -0.266 18269
9360 1 20 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.201 -0.070 18269
9361 1 20 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.129 0.487 18269
9362 1 20 . 1 1 70 70 LEU CB C 70 41.738 41.738 40.910 0.828 18269
9363 1 20 . 1 1 71 71 SER HA H 71 4.817 4.817 4.361 0.456 18269
9364 1 20 . 1 1 71 71 SER CA C 71 60.667 60.667 60.807 -0.140 18269
9365 1 20 . 1 1 71 71 SER CB C 71 62.646 62.646 62.598 0.048 18269
9366 1 20 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.131 0.133 18269
9367 1 20 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.073 -2.444 18269
9368 1 20 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.437 -1.190 18269
9369 1 20 . 1 1 73 73 VAL N N 73 114.786 114.786 116.567 -1.781 18269
9370 1 20 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.072 0.030 18269
9371 1 20 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.272 -1.531 18269
9372 1 20 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.078 1.187 18269
9373 1 20 . 1 1 73 73 VAL H H 73 7.812 7.812 8.078 -0.266 18269
9374 1 20 . 1 1 74 74 THR HA H 74 3.767 3.767 4.022 -0.255 18269
9375 1 20 . 1 1 74 74 THR CA C 74 65.584 65.584 66.694 -1.110 18269
9376 1 20 . 1 1 74 74 THR CB C 74 67.470 67.470 68.303 -0.833 18269
9377 1 20 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.158 0.088 18269
9378 1 20 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.641 0.742 18269
9379 1 20 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.906 0.714 18269
9380 1 20 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.493 -0.008 18269
9381 1 20 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.495 1.202 18269
9382 1 20 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.764 -0.869 18269
9383 1 20 . 1 1 77 77 MET N N 77 117.583 117.583 116.647 0.936 18269
9384 1 20 . 1 1 77 77 MET HA H 77 4.684 4.684 4.512 0.172 18269
9385 1 20 . 1 1 77 77 MET CA C 77 59.347 59.347 56.487 2.860 18269
9386 1 20 . 1 1 77 77 MET CB C 77 32.996 32.996 32.393 0.603 18269
9387 1 20 . 1 1 77 77 MET H H 77 7.685 7.685 7.996 -0.311 18269
9388 1 20 . 1 1 78 78 SER N N 78 114.578 114.578 112.679 1.899 18269
9389 1 20 . 1 1 78 78 SER HA H 78 4.226 4.226 4.371 -0.145 18269
9390 1 20 . 1 1 78 78 SER CA C 78 61.922 61.922 60.650 1.272 18269
9391 1 20 . 1 1 78 78 SER CB C 78 62.406 62.406 63.835 -1.429 18269
9392 1 20 . 1 1 78 78 SER H H 78 8.285 8.285 7.704 0.581 18269
9393 1 20 . 1 1 79 79 VAL N N 79 111.248 111.248 117.132 -5.884 18269
9394 1 20 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.318 0.433 18269
9395 1 20 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.878 0.248 18269
9396 1 20 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.058 -4.712 18269
9397 1 20 . 1 1 79 79 VAL H H 79 7.004 7.004 7.137 -0.133 18269
9398 1 20 . 1 1 80 80 HIS N N 80 116.703 116.703 126.099 -9.396 18269
9399 1 20 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.770 -0.654 18269
9400 1 20 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.814 -0.988 18269
9401 1 20 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.670 -3.781 18269
9402 1 20 . 1 1 80 80 HIS H H 80 8.289 8.289 8.658 -0.369 18269
9403 1 20 . 1 1 81 81 MET N N 81 120.978 120.978 126.013 -5.035 18269
9404 1 20 . 1 1 81 81 MET HA H 81 4.512 4.512 4.886 -0.374 18269
9405 1 20 . 1 1 81 81 MET CA C 81 55.007 55.007 52.795 2.212 18269
9406 1 20 . 1 1 81 81 MET CB C 81 33.265 33.265 34.877 -1.612 18269
9407 1 20 . 1 1 81 81 MET H H 81 8.006 8.006 8.110 -0.104 18269
9408 1 20 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.197 0.144 18269
9409 1 20 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.608 -1.372 18269
9410 1 20 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.389 2.274 18269
9411 1 20 . 1 1 83 83 ALA N N 83 126.545 126.545 121.829 4.716 18269
9412 1 20 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.912 0.034 18269
9413 1 20 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.432 0.541 18269
9414 1 20 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.096 1.379 18269
9415 1 20 . 1 1 83 83 ALA H H 83 9.196 9.196 8.380 0.816 18269
9416 1 20 . 1 1 84 84 MET N N 84 114.734 114.734 115.725 -0.991 18269
9417 1 20 . 1 1 84 84 MET HA H 84 4.024 4.024 4.595 -0.571 18269
9418 1 20 . 1 1 84 84 MET CA C 84 58.812 58.812 57.380 1.432 18269
9419 1 20 . 1 1 84 84 MET CB C 84 32.242 32.242 31.305 0.937 18269
9420 1 20 . 1 1 84 84 MET H H 84 9.289 9.289 7.988 1.301 18269
9421 1 20 . 1 1 85 85 LYS N N 85 116.490 116.490 120.266 -3.776 18269
9422 1 20 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.278 -0.104 18269
9423 1 20 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.218 -0.102 18269
9424 1 20 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.438 -0.645 18269
9425 1 20 . 1 1 85 85 LYS H H 85 6.997 6.997 8.576 -1.579 18269
9426 1 20 . 1 1 86 86 ILE N N 86 120.561 120.561 121.088 -0.527 18269
9427 1 20 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.648 -0.033 18269
9428 1 20 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.038 1.240 18269
9429 1 20 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.860 -0.340 18269
9430 1 20 . 1 1 86 86 ILE H H 86 7.875 7.875 7.607 0.268 18269
9431 1 20 . 1 1 87 87 CYS N N 87 117.323 117.323 118.153 -0.830 18269
9432 1 20 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.052 0.024 18269
9433 1 20 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.504 -1.444 18269
9434 1 20 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.888 16.845 18269
9435 1 20 . 1 1 87 87 CYS H H 87 8.643 8.643 8.030 0.613 18269
9436 1 20 . 1 1 88 88 GLU N N 88 118.070 118.070 120.101 -2.031 18269
9437 1 20 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.018 -0.070 18269
9438 1 20 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.939 0.824 18269
9439 1 20 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.398 0.366 18269
9440 1 20 . 1 1 88 88 GLU H H 88 8.045 8.045 8.278 -0.233 18269
9441 1 20 . 1 1 89 89 LYS N N 89 119.719 119.719 117.670 2.049 18269
9442 1 20 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.187 -0.049 18269
9443 1 20 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.478 0.652 18269
9444 1 20 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.718 -1.015 18269
9445 1 20 . 1 1 89 89 LYS H H 89 7.530 7.530 7.727 -0.197 18269
9446 1 20 . 1 1 90 90 LEU N N 90 119.550 119.550 120.824 -1.274 18269
9447 1 20 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.036 -0.071 18269
9448 1 20 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.457 -0.114 18269
9449 1 20 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.322 -0.331 18269
9450 1 20 . 1 1 90 90 LEU H H 90 8.422 8.422 8.341 0.081 18269
9451 1 20 . 1 1 91 91 LYS N N 91 119.180 119.180 118.888 0.292 18269
9452 1 20 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.167 -0.305 18269
9453 1 20 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.378 -0.773 18269
9454 1 20 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.859 0.618 18269
9455 1 20 . 1 1 91 91 LYS H H 91 8.218 8.218 7.904 0.314 18269
9456 1 20 . 1 1 92 92 LYS N N 92 113.632 113.632 119.534 -5.902 18269
9457 1 20 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.110 -0.057 18269
9458 1 20 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.685 -1.127 18269
9459 1 20 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.342 -0.408 18269
9460 1 20 . 1 1 92 92 LYS H H 92 6.984 6.984 7.410 -0.426 18269
9461 1 20 . 1 1 93 93 LEU N N 93 119.104 119.104 119.106 -0.002 18269
9462 1 20 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.140 0.150 18269
9463 1 20 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.883 -0.779 18269
9464 1 20 . 1 1 93 93 LEU CB C 93 42.102 42.102 42.687 -0.585 18269
9465 1 20 . 1 1 93 93 LEU H H 93 7.456 7.456 7.427 0.029 18269
9466 1 20 . 1 1 94 94 ASP N N 94 116.790 116.790 115.625 1.165 18269
9467 1 20 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.767 -0.211 18269
9468 1 20 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.667 0.699 18269
9469 1 20 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.707 -1.534 18269
9470 1 20 . 1 1 94 94 ASP H H 94 7.911 7.911 8.285 -0.374 18269
9471 1 20 . 1 1 95 95 SER N N 95 122.399 122.399 121.565 0.834 18269
9472 1 20 . 1 1 95 95 SER HA H 95 4.186 4.186 4.235 -0.049 18269
9473 1 20 . 1 1 95 95 SER CA C 95 61.472 61.472 60.666 0.806 18269
9474 1 20 . 1 1 95 95 SER CB C 95 62.568 62.568 63.231 -0.663 18269
9475 1 20 . 1 1 95 95 SER H H 95 8.894 8.894 8.704 0.190 18269
9476 1 20 . 1 1 96 96 GLN N N 96 120.800 120.800 120.853 -0.053 18269
9477 1 20 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.133 -0.271 18269
9478 1 20 . 1 1 96 96 GLN CA C 96 58.151 58.151 56.583 1.568 18269
9479 1 20 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.147 0.270 18269
9480 1 20 . 1 1 96 96 GLN H H 96 8.610 8.610 8.454 0.156 18269
9481 1 20 . 1 1 97 97 ILE N N 97 117.387 117.387 116.570 0.817 18269
9482 1 20 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.236 0.163 18269
9483 1 20 . 1 1 97 97 ILE CA C 97 65.831 65.831 62.782 3.049 18269
9484 1 20 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.161 0.113 18269
9485 1 20 . 1 1 97 97 ILE H H 97 7.470 7.470 7.378 0.092 18269
9486 1 20 . 1 1 98 98 CYS N N 98 113.485 113.485 113.252 0.233 18269
9487 1 20 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.454 0.617 18269
9488 1 20 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.264 3.709 18269
9489 1 20 . 1 1 98 98 CYS CB C 98 48.586 48.586 30.138 18.448 18269
9490 1 20 . 1 1 98 98 CYS H H 98 7.410 7.410 7.218 0.192 18269
9491 1 20 . 1 1 99 99 GLU N N 99 119.123 119.123 123.215 -4.092 18269
9492 1 20 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.293 0.030 18269
9493 1 20 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.255 0.471 18269
9494 1 20 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.634 2.345 18269
9495 1 20 . 1 1 99 99 GLU H H 99 7.308 7.308 7.719 -0.411 18269
9496 1 20 . 1 1 100 100 LEU N N 100 115.771 115.771 121.150 -5.379 18269
9497 1 20 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.266 0.031 18269
9498 1 20 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.573 0.109 18269
9499 1 20 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.724 0.237 18269
9500 1 20 . 1 1 100 100 LEU H H 100 6.496 6.496 7.852 -1.356 18269
9501 1 20 . 1 1 101 101 LYS N N 101 125.672 125.672 113.638 12.034 18269
9502 1 20 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.963 0.631 18269
9503 1 20 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.833 -1.483 18269
9504 1 20 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.795 4.928 18269
9505 1 20 . 1 1 101 101 LYS H H 101 8.575 8.575 7.833 0.742 18269
9506 1 20 . 1 1 102 102 TYR N N 102 120.395 120.395 124.884 -4.489 18269
9507 1 20 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.419 -0.037 18269
9508 1 20 . 1 1 102 102 TYR CA C 102 60.024 60.024 56.958 3.066 18269
9509 1 20 . 1 1 102 102 TYR CB C 102 38.328 38.328 35.982 2.346 18269
9510 1 20 . 1 1 102 102 TYR H H 102 8.756 8.756 8.566 0.190 18269
9511 1 20 . 1 1 103 103 GLU N N 103 121.550 121.550 121.402 0.148 18269
9512 1 20 . 1 1 103 103 GLU HA H 103 4.392 4.392 3.907 0.485 18269
9513 1 20 . 1 1 103 103 GLU CA C 103 56.327 56.327 58.568 -2.241 18269
9514 1 20 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.985 1.317 18269
9515 1 20 . 1 1 103 103 GLU H H 103 8.835 8.835 8.900 -0.065 18269
9516 1 20 . 1 1 104 104 LYS N N 104 122.957 122.957 120.847 2.110 18269
9517 1 20 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.987 0.474 18269
9518 1 20 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.207 -0.933 18269
9519 1 20 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.553 1.494 18269
9520 1 20 . 1 1 104 104 LYS H H 104 8.490 8.490 8.323 0.167 18269
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 89 3.824 0.312 3.833 18269
2 1 1 "Average Difference" HA 107 0.293 -0.020 0.294 18269
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18269
4 1 1 "Average Difference" CA 103 1.502 0.045 1.509 18269
5 1 1 "Average Difference" CB 97 4.572 -1.063 4.470 18269
6 1 1 "Average Difference" HN 90 0.619 -0.028 0.622 18269
7 1 2 "Average Difference" N 89 3.886 0.189 3.904 18269
8 1 2 "Average Difference" HA 107 0.301 -0.028 0.301 18269
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18269
10 1 2 "Average Difference" CA 103 1.412 0.116 1.414 18269
11 1 2 "Average Difference" CB 97 4.399 -1.058 4.292 18269
12 1 2 "Average Difference" HN 90 0.576 -0.040 0.577 18269
13 1 3 "Average Difference" N 89 3.402 0.320 3.406 18269
14 1 3 "Average Difference" HA 107 0.299 -0.010 0.300 18269
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18269
16 1 3 "Average Difference" CA 103 1.393 0.132 1.393 18269
17 1 3 "Average Difference" CB 97 4.405 -1.099 4.288 18269
18 1 3 "Average Difference" HN 90 0.539 -0.004 0.542 18269
19 1 4 "Average Difference" N 89 3.300 0.587 3.266 18269
20 1 4 "Average Difference" HA 107 0.273 0.013 0.274 18269
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18269
22 1 4 "Average Difference" CA 103 1.450 -0.021 1.457 18269
23 1 4 "Average Difference" CB 97 4.413 -1.145 4.284 18269
24 1 4 "Average Difference" HN 90 0.579 -0.030 0.581 18269
25 1 5 "Average Difference" N 89 3.457 0.357 3.458 18269
26 1 5 "Average Difference" HA 107 0.285 -0.032 0.285 18269
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18269
28 1 5 "Average Difference" CA 103 1.290 0.122 1.291 18269
29 1 5 "Average Difference" CB 97 4.427 -1.105 4.309 18269
30 1 5 "Average Difference" HN 90 0.540 0.009 0.543 18269
31 1 6 "Average Difference" N 89 3.395 0.179 3.409 18269
32 1 6 "Average Difference" HA 107 0.303 -0.026 0.303 18269
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18269
34 1 6 "Average Difference" CA 103 1.297 0.072 1.302 18269
35 1 6 "Average Difference" CB 97 4.448 -1.047 4.345 18269
36 1 6 "Average Difference" HN 90 0.585 0.028 0.587 18269
37 1 7 "Average Difference" N 89 3.027 0.502 3.002 18269
38 1 7 "Average Difference" HA 107 0.269 -0.016 0.270 18269
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18269
40 1 7 "Average Difference" CA 103 1.466 0.156 1.464 18269
41 1 7 "Average Difference" CB 97 4.335 -0.986 4.243 18269
42 1 7 "Average Difference" HN 90 0.578 0.013 0.581 18269
43 1 8 "Average Difference" N 89 3.171 0.153 3.185 18269
44 1 8 "Average Difference" HA 107 0.274 -0.023 0.274 18269
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18269
46 1 8 "Average Difference" CA 103 1.347 0.027 1.354 18269
47 1 8 "Average Difference" CB 97 4.425 -1.145 4.296 18269
48 1 8 "Average Difference" HN 90 0.563 -0.074 0.561 18269
49 1 9 "Average Difference" N 89 3.382 0.331 3.385 18269
50 1 9 "Average Difference" HA 107 0.310 -0.013 0.312 18269
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18269
52 1 9 "Average Difference" CA 103 1.379 0.149 1.378 18269
53 1 9 "Average Difference" CB 97 4.426 -1.019 4.330 18269
54 1 9 "Average Difference" HN 90 0.591 -0.009 0.594 18269
55 1 10 "Average Difference" N 89 3.308 0.099 3.325 18269
56 1 10 "Average Difference" HA 107 0.290 -0.017 0.291 18269
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18269
58 1 10 "Average Difference" CA 103 1.397 0.095 1.400 18269
59 1 10 "Average Difference" CB 97 4.367 -1.069 4.256 18269
60 1 10 "Average Difference" HN 90 0.589 -0.042 0.590 18269
61 1 11 "Average Difference" N 89 3.305 0.436 3.295 18269
62 1 11 "Average Difference" HA 107 0.279 -0.009 0.281 18269
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18269
64 1 11 "Average Difference" CA 103 1.397 0.144 1.397 18269
65 1 11 "Average Difference" CB 97 4.339 -1.041 4.234 18269
66 1 11 "Average Difference" HN 90 0.547 0.000 0.550 18269
67 1 12 "Average Difference" N 89 3.734 0.635 3.701 18269
68 1 12 "Average Difference" HA 107 0.298 0.001 0.299 18269
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18269
70 1 12 "Average Difference" CA 103 1.432 0.087 1.436 18269
71 1 12 "Average Difference" CB 97 4.392 -1.121 4.269 18269
72 1 12 "Average Difference" HN 90 0.530 -0.015 0.533 18269
73 1 13 "Average Difference" N 89 3.377 0.298 3.382 18269
74 1 13 "Average Difference" HA 107 0.289 -0.029 0.289 18269
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18269
76 1 13 "Average Difference" CA 103 1.485 0.208 1.478 18269
77 1 13 "Average Difference" CB 97 4.372 -1.088 4.256 18269
78 1 13 "Average Difference" HN 90 0.564 -0.028 0.566 18269
79 1 14 "Average Difference" N 89 3.442 0.211 3.455 18269
80 1 14 "Average Difference" HA 107 0.311 0.001 0.312 18269
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18269
82 1 14 "Average Difference" CA 103 1.446 0.040 1.453 18269
83 1 14 "Average Difference" CB 97 4.364 -1.106 4.243 18269
84 1 14 "Average Difference" HN 90 0.558 -0.023 0.560 18269
85 1 15 "Average Difference" N 89 3.308 0.454 3.295 18269
86 1 15 "Average Difference" HA 107 0.300 -0.005 0.302 18269
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18269
88 1 15 "Average Difference" CA 103 1.347 0.073 1.352 18269
89 1 15 "Average Difference" CB 97 4.541 -1.114 4.425 18269
90 1 15 "Average Difference" HN 90 0.563 0.000 0.566 18269
91 1 16 "Average Difference" N 89 3.489 0.562 3.463 18269
92 1 16 "Average Difference" HA 107 0.260 -0.023 0.261 18269
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18269
94 1 16 "Average Difference" CA 103 1.316 0.065 1.321 18269
95 1 16 "Average Difference" CB 97 4.458 -1.087 4.346 18269
96 1 16 "Average Difference" HN 90 0.587 -0.044 0.588 18269
97 1 17 "Average Difference" N 89 3.533 0.341 3.536 18269
98 1 17 "Average Difference" HA 107 0.286 -0.027 0.286 18269
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18269
100 1 17 "Average Difference" CA 103 1.365 0.093 1.368 18269
101 1 17 "Average Difference" CB 97 4.424 -1.151 4.294 18269
102 1 17 "Average Difference" HN 90 0.572 -0.044 0.574 18269
103 1 18 "Average Difference" N 89 3.414 0.352 3.416 18269
104 1 18 "Average Difference" HA 107 0.285 -0.022 0.286 18269
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18269
106 1 18 "Average Difference" CA 103 1.509 0.108 1.513 18269
107 1 18 "Average Difference" CB 97 4.393 -1.142 4.264 18269
108 1 18 "Average Difference" HN 90 0.593 -0.010 0.596 18269
109 1 19 "Average Difference" N 89 3.601 0.444 3.594 18269
110 1 19 "Average Difference" HA 107 0.267 -0.027 0.267 18269
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18269
112 1 19 "Average Difference" CA 103 1.294 0.171 1.289 18269
113 1 19 "Average Difference" CB 97 4.406 -1.099 4.289 18269
114 1 19 "Average Difference" HN 90 0.566 0.016 0.569 18269
115 1 20 "Average Difference" N 89 3.259 0.438 3.248 18269
116 1 20 "Average Difference" HA 107 0.302 -0.024 0.302 18269
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18269
118 1 20 "Average Difference" CA 103 1.455 0.101 1.458 18269
119 1 20 "Average Difference" CB 97 4.331 -1.169 4.192 18269
120 1 20 "Average Difference" HN 90 0.571 0.009 0.574 18269
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 18269
_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 GLU N N 2 121.590 121.590 120.442 1.148 18269
2 1 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.243 0.051 18269
3 1 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.010 -0.492 18269
4 1 . 1 1 2 2 GLU CB C 2 30.151 30.151 30.136 0.015 18269
5 1 . 1 1 2 2 GLU H H 2 8.621 8.621 8.608 0.013 18269
6 1 . 1 1 3 3 ALA N N 3 125.815 125.815 124.120 1.695 18269
7 1 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.520 -0.154 18269
8 1 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.048 0.609 18269
9 1 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.897 -0.950 18269
10 1 . 1 1 3 3 ALA H H 3 8.598 8.598 8.540 0.058 18269
11 1 . 1 1 4 4 GLY N N 4 108.386 108.386 108.713 -0.327 18269
12 1 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.552 -0.415 18269
13 1 . 1 1 4 4 GLY H H 4 8.487 8.487 8.393 0.094 18269
14 1 . 1 1 5 5 GLY N N 5 108.367 108.367 110.564 -2.197 18269
15 1 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.744 0.010 18269
16 1 . 1 1 5 5 GLY H H 5 8.274 8.274 8.282 -0.008 18269
17 1 . 1 1 6 6 ARG N N 6 121.577 121.577 118.953 2.624 18269
18 1 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.372 0.303 18269
19 1 . 1 1 6 6 ARG CA C 6 53.881 53.881 54.702 -0.821 18269
20 1 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.241 0.894 18269
21 1 . 1 1 6 6 ARG H H 6 8.297 8.297 8.202 0.095 18269
22 1 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.654 -0.163 18269
23 1 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.250 1.103 18269
24 1 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.906 1.141 18269
25 1 . 1 1 8 8 GLY N N 8 109.658 109.658 107.939 1.719 18269
26 1 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.814 -0.726 18269
27 1 . 1 1 8 8 GLY H H 8 8.660 8.660 8.175 0.485 18269
28 1 . 1 1 9 9 ALA N N 9 123.995 123.995 120.441 3.554 18269
29 1 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.480 -0.040 18269
30 1 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.698 -0.901 18269
31 1 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.089 0.190 18269
32 1 . 1 1 9 9 ALA H H 9 8.200 8.200 7.725 0.475 18269
33 1 . 1 1 10 10 ASP N N 10 119.834 119.834 118.321 1.513 18269
34 1 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.697 -0.040 18269
35 1 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.784 -0.244 18269
36 1 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.265 -0.759 18269
37 1 . 1 1 10 10 ASP H H 10 8.290 8.290 8.403 -0.113 18269
38 1 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.481 0.149 18269
39 1 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.849 -5.091 18269
40 1 . 1 1 11 11 CYS CB C 11 40.460 40.460 26.828 13.632 18269
41 1 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.101 -0.137 18269
42 1 . 1 1 12 12 GLU CA C 12 61.377 61.377 58.845 2.532 18269
43 1 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.613 1.642 18269
44 1 . 1 1 13 13 VAL N N 13 117.224 117.224 119.906 -2.682 18269
45 1 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.681 0.065 18269
46 1 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.728 -1.682 18269
47 1 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.282 -0.064 18269
48 1 . 1 1 13 13 VAL H H 13 7.040 7.040 8.191 -1.151 18269
49 1 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.160 -0.075 18269
50 1 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.149 -0.704 18269
51 1 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.856 15.363 18269
52 1 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.035 0.024 18269
53 1 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.709 -2.138 18269
54 1 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.951 0.299 18269
55 1 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.146 0.185 18269
56 1 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.423 -0.249 18269
57 1 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.401 0.004 18269
58 1 . 1 1 16 16 GLU H H 16 8.098 8.098 8.394 -0.296 18269
59 1 . 1 1 17 17 PHE N N 17 120.745 120.745 121.543 -0.798 18269
60 1 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.409 -0.094 18269
61 1 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.968 0.546 18269
62 1 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.283 1.230 18269
63 1 . 1 1 17 17 PHE H H 17 9.126 9.126 8.145 0.981 18269
64 1 . 1 1 18 18 LEU N N 18 115.787 115.787 119.117 -3.330 18269
65 1 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.854 0.289 18269
66 1 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.348 -0.471 18269
67 1 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.450 -0.498 18269
68 1 . 1 1 18 18 LEU H H 18 8.505 8.505 8.402 0.102 18269
69 1 . 1 1 19 19 ASN N N 19 117.635 117.635 117.158 0.477 18269
70 1 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.406 0.470 18269
71 1 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.725 -0.251 18269
72 1 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.829 -0.501 18269
73 1 . 1 1 19 19 ASN H H 19 8.405 8.405 8.292 0.113 18269
74 1 . 1 1 20 20 ARG N N 20 122.851 122.851 119.584 3.267 18269
75 1 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.090 0.027 18269
76 1 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.458 0.831 18269
77 1 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.158 0.297 18269
78 1 . 1 1 20 20 ARG H H 20 8.325 8.325 8.002 0.323 18269
79 1 . 1 1 21 21 PHE N N 21 121.774 121.774 121.321 0.453 18269
80 1 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.126 0.154 18269
81 1 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.623 -1.612 18269
82 1 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.195 -0.184 18269
83 1 . 1 1 21 21 PHE H H 21 8.438 8.438 8.235 0.203 18269
84 1 . 1 1 22 22 TYR N N 22 119.937 119.937 120.358 -0.421 18269
85 1 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.793 -0.004 18269
86 1 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.699 -0.047 18269
87 1 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.390 -0.116 18269
88 1 . 1 1 22 22 TYR H H 22 8.708 8.708 8.447 0.261 18269
89 1 . 1 1 23 23 LYS N N 23 116.431 116.431 117.247 -0.816 18269
90 1 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.943 -0.084 18269
91 1 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.329 0.814 18269
92 1 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.574 0.643 18269
93 1 . 1 1 23 23 LYS H H 23 7.928 7.928 8.113 -0.185 18269
94 1 . 1 1 24 24 SER N N 24 113.888 113.888 117.098 -3.210 18269
95 1 . 1 1 24 24 SER HA H 24 4.325 4.325 4.212 0.113 18269
96 1 . 1 1 24 24 SER CA C 24 61.016 61.016 61.914 -0.898 18269
97 1 . 1 1 24 24 SER CB C 24 62.837 62.837 62.806 0.031 18269
98 1 . 1 1 24 24 SER H H 24 7.665 7.665 7.949 -0.284 18269
99 1 . 1 1 25 25 LEU N N 25 119.663 119.663 121.982 -2.319 18269
100 1 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.924 -0.245 18269
101 1 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.830 -0.325 18269
102 1 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.191 0.711 18269
103 1 . 1 1 25 25 LEU H H 25 7.573 7.573 7.753 -0.180 18269
104 1 . 1 1 26 26 ILE N N 26 119.781 119.781 118.978 0.803 18269
105 1 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.638 0.218 18269
106 1 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.362 0.187 18269
107 1 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.593 0.712 18269
108 1 . 1 1 26 26 ILE H H 26 8.094 8.094 7.368 0.726 18269
109 1 . 1 1 27 27 ASP N N 27 122.421 122.421 120.215 2.206 18269
110 1 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.381 -0.005 18269
111 1 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.700 0.320 18269
112 1 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.063 -0.983 18269
113 1 . 1 1 27 27 ASP H H 27 9.091 9.091 8.090 1.001 18269
114 1 . 1 1 28 28 ARG N N 28 115.349 115.349 117.377 -2.028 18269
115 1 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.261 0.044 18269
116 1 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.609 -0.111 18269
117 1 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.801 0.812 18269
118 1 . 1 1 28 28 ARG H H 28 7.587 7.587 8.133 -0.546 18269
119 1 . 1 1 29 29 GLY N N 29 109.999 109.999 107.750 2.249 18269
120 1 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.350 1.311 18269
121 1 . 1 1 29 29 GLY H H 29 7.909 7.909 7.799 0.110 18269
122 1 . 1 1 30 30 VAL N N 30 118.740 118.740 118.438 0.302 18269
123 1 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.327 -0.568 18269
124 1 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.165 1.305 18269
125 1 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.023 0.303 18269
126 1 . 1 1 30 30 VAL H H 30 7.701 7.701 7.841 -0.140 18269
127 1 . 1 1 31 31 ASN N N 31 123.250 123.250 120.899 2.351 18269
128 1 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.642 0.071 18269
129 1 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.787 0.701 18269
130 1 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.536 -0.325 18269
131 1 . 1 1 31 31 ASN H H 31 8.498 8.498 7.945 0.553 18269
132 1 . 1 1 32 32 PHE N N 32 126.076 126.076 116.874 9.202 18269
133 1 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.376 -0.238 18269
134 1 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.542 -0.895 18269
135 1 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.348 -1.569 18269
136 1 . 1 1 32 32 PHE H H 32 8.783 8.783 8.541 0.242 18269
137 1 . 1 1 33 33 SER N N 33 115.958 115.958 116.849 -0.891 18269
138 1 . 1 1 33 33 SER HA H 33 4.736 4.736 4.605 0.131 18269
139 1 . 1 1 33 33 SER CA C 33 56.745 56.745 57.782 -1.037 18269
140 1 . 1 1 33 33 SER CB C 33 64.899 64.899 64.098 0.801 18269
141 1 . 1 1 33 33 SER H H 33 7.699 7.699 8.002 -0.303 18269
142 1 . 1 1 34 34 LEU N N 34 124.359 124.359 128.023 -3.664 18269
143 1 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.037 -0.184 18269
144 1 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.288 1.382 18269
145 1 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.485 0.061 18269
146 1 . 1 1 34 34 LEU H H 34 8.935 8.935 8.784 0.151 18269
147 1 . 1 1 35 35 ASP N N 35 115.345 115.345 117.115 -1.770 18269
148 1 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.448 -0.070 18269
149 1 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.604 -0.746 18269
150 1 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.471 -0.311 18269
151 1 . 1 1 35 35 ASP H H 35 8.575 8.575 8.642 -0.067 18269
152 1 . 1 1 36 36 THR N N 36 116.789 116.789 116.672 0.117 18269
153 1 . 1 1 36 36 THR HA H 36 4.015 4.015 4.160 -0.145 18269
154 1 . 1 1 36 36 THR CA C 36 66.069 66.069 66.478 -0.409 18269
155 1 . 1 1 36 36 THR CB C 36 68.780 68.780 68.861 -0.081 18269
156 1 . 1 1 36 36 THR H H 36 7.593 7.593 7.308 0.285 18269
157 1 . 1 1 37 37 ILE N N 37 120.685 120.685 121.539 -0.854 18269
158 1 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.794 -0.425 18269
159 1 . 1 1 37 37 ILE CA C 37 65.800 65.800 64.858 0.942 18269
160 1 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.996 0.095 18269
161 1 . 1 1 37 37 ILE H H 37 8.436 8.436 8.615 -0.179 18269
162 1 . 1 1 38 38 GLU N N 38 118.792 118.792 120.619 -1.827 18269
163 1 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.945 -0.267 18269
164 1 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.856 1.204 18269
165 1 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.504 0.367 18269
166 1 . 1 1 38 38 GLU H H 38 8.122 8.122 8.075 0.047 18269
167 1 . 1 1 39 39 LYS N N 39 116.986 116.986 119.337 -2.351 18269
168 1 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.127 -0.166 18269
169 1 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.734 1.012 18269
170 1 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.127 0.183 18269
171 1 . 1 1 39 39 LYS H H 39 7.586 7.586 7.727 -0.141 18269
172 1 . 1 1 40 40 GLU N N 40 117.892 117.892 119.960 -2.068 18269
173 1 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.288 -0.083 18269
174 1 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.841 -0.482 18269
175 1 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.500 -0.921 18269
176 1 . 1 1 40 40 GLU H H 40 8.690 8.690 8.437 0.253 18269
177 1 . 1 1 41 41 LEU N N 41 125.830 125.830 121.291 4.539 18269
178 1 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.804 -0.257 18269
179 1 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.144 -0.316 18269
180 1 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.715 -1.377 18269
181 1 . 1 1 41 41 LEU H H 41 8.978 8.978 8.400 0.578 18269
182 1 . 1 1 42 42 ILE N N 42 119.900 119.900 119.589 0.311 18269
183 1 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.762 -0.178 18269
184 1 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.117 0.715 18269
185 1 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.820 -0.030 18269
186 1 . 1 1 42 42 ILE H H 42 7.884 7.884 7.845 0.039 18269
187 1 . 1 1 43 43 SER N N 43 114.071 114.071 116.071 -2.000 18269
188 1 . 1 1 43 43 SER HA H 43 4.277 4.277 4.181 0.096 18269
189 1 . 1 1 43 43 SER CA C 43 61.598 61.598 62.020 -0.422 18269
190 1 . 1 1 43 43 SER CB C 43 62.767 62.767 63.204 -0.437 18269
191 1 . 1 1 43 43 SER H H 43 7.791 7.791 8.272 -0.481 18269
192 1 . 1 1 44 44 PHE N N 44 125.036 125.036 122.402 2.634 18269
193 1 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.351 -0.022 18269
194 1 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.722 -0.465 18269
195 1 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.447 1.184 18269
196 1 . 1 1 44 44 PHE H H 44 9.060 9.060 8.754 0.306 18269
197 1 . 1 1 45 45 CYS N N 45 112.824 112.824 118.949 -6.125 18269
198 1 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.501 0.105 18269
199 1 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.044 -2.808 18269
200 1 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.987 16.636 18269
201 1 . 1 1 45 45 CYS H H 45 8.254 8.254 8.480 -0.226 18269
202 1 . 1 1 46 46 LEU N N 46 123.875 123.875 119.436 4.439 18269
203 1 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.290 -0.115 18269
204 1 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.871 1.280 18269
205 1 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.880 0.372 18269
206 1 . 1 1 46 46 LEU H H 46 7.776 7.776 7.830 -0.054 18269
207 1 . 1 1 47 47 ASP N N 47 116.880 116.880 118.482 -1.602 18269
208 1 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.591 0.319 18269
209 1 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.097 -1.512 18269
210 1 . 1 1 47 47 ASP CB C 47 40.375 40.375 40.904 -0.529 18269
211 1 . 1 1 47 47 ASP H H 47 7.852 7.852 8.001 -0.149 18269
212 1 . 1 1 48 48 THR N N 48 108.053 108.053 113.297 -5.244 18269
213 1 . 1 1 48 48 THR HA H 48 4.461 4.461 4.279 0.182 18269
214 1 . 1 1 48 48 THR CA C 48 60.844 60.844 61.398 -0.554 18269
215 1 . 1 1 48 48 THR CB C 48 73.395 73.395 70.434 2.961 18269
216 1 . 1 1 48 48 THR H H 48 7.139 7.139 7.579 -0.440 18269
217 1 . 1 1 49 49 LYS N N 49 118.308 118.308 119.293 -0.985 18269
218 1 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.558 0.160 18269
219 1 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.915 -0.872 18269
220 1 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.525 3.045 18269
221 1 . 1 1 49 49 LYS H H 49 8.755 8.755 8.987 -0.232 18269
222 1 . 1 1 50 50 GLY N N 50 108.996 108.996 110.014 -1.018 18269
223 1 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.756 -0.913 18269
224 1 . 1 1 50 50 GLY H H 50 8.866 8.866 8.699 0.167 18269
225 1 . 1 1 51 51 LYS N N 51 126.155 126.155 121.432 4.723 18269
226 1 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.067 -0.097 18269
227 1 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.198 -1.088 18269
228 1 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.032 0.587 18269
229 1 . 1 1 51 51 LYS H H 51 9.254 9.254 8.666 0.588 18269
230 1 . 1 1 52 52 GLU N N 52 116.496 116.496 119.081 -2.585 18269
231 1 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.145 -0.622 18269
232 1 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.275 0.115 18269
233 1 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.691 -1.005 18269
234 1 . 1 1 52 52 GLU H H 52 8.223 8.223 8.065 0.158 18269
235 1 . 1 1 53 53 ASN N N 53 119.000 119.000 119.074 -0.074 18269
236 1 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.753 -0.369 18269
237 1 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.752 1.226 18269
238 1 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.643 0.803 18269
239 1 . 1 1 53 53 ASN H H 53 6.840 6.840 8.713 -1.873 18269
240 1 . 1 1 54 54 ARG N N 54 118.480 118.480 119.490 -1.010 18269
241 1 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.330 -0.561 18269
242 1 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.740 -0.343 18269
243 1 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.029 -1.288 18269
244 1 . 1 1 54 54 ARG H H 54 7.456 7.456 8.084 -0.628 18269
245 1 . 1 1 55 55 LEU N N 55 118.688 118.688 121.562 -2.874 18269
246 1 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.196 -0.388 18269
247 1 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.052 0.408 18269
248 1 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.784 -1.664 18269
249 1 . 1 1 55 55 LEU H H 55 7.843 7.843 7.990 -0.147 18269
250 1 . 1 1 56 56 CYS N N 56 115.905 115.905 116.973 -1.068 18269
251 1 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.890 -0.017 18269
252 1 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.282 1.755 18269
253 1 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.916 16.989 18269
254 1 . 1 1 56 56 CYS H H 56 7.752 7.752 7.837 -0.085 18269
255 1 . 1 1 57 57 TYR N N 57 121.810 121.810 119.191 2.619 18269
256 1 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.159 -0.016 18269
257 1 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.103 0.212 18269
258 1 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.611 -0.557 18269
259 1 . 1 1 57 57 TYR H H 57 7.911 7.911 7.730 0.181 18269
260 1 . 1 1 58 58 TYR N N 58 121.916 121.916 116.274 5.642 18269
261 1 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.355 0.020 18269
262 1 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.259 -1.250 18269
263 1 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.496 -0.472 18269
264 1 . 1 1 58 58 TYR H H 58 8.334 8.334 7.480 0.854 18269
265 1 . 1 1 59 59 LEU N N 59 114.461 114.461 116.382 -1.921 18269
266 1 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.111 0.009 18269
267 1 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.766 -0.537 18269
268 1 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.206 -0.161 18269
269 1 . 1 1 59 59 LEU H H 59 8.079 8.079 7.821 0.258 18269
270 1 . 1 1 60 60 GLY N N 60 102.559 102.559 104.380 -1.821 18269
271 1 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.175 0.397 18269
272 1 . 1 1 60 60 GLY H H 60 7.562 7.562 7.862 -0.300 18269
273 1 . 1 1 61 61 ALA N N 61 120.327 120.327 124.069 -3.742 18269
274 1 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.388 0.013 18269
275 1 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.870 -0.605 18269
276 1 . 1 1 61 61 ALA CB C 61 20.337 20.337 19.084 1.253 18269
277 1 . 1 1 61 61 ALA H H 61 7.995 7.995 7.807 0.188 18269
278 1 . 1 1 62 62 THR N N 62 106.895 106.895 112.144 -5.249 18269
279 1 . 1 1 62 62 THR HA H 62 4.518 4.518 4.227 0.291 18269
280 1 . 1 1 62 62 THR CA C 62 59.982 59.982 61.584 -1.602 18269
281 1 . 1 1 62 62 THR CB C 62 70.540 70.540 70.140 0.400 18269
282 1 . 1 1 62 62 THR H H 62 7.156 7.156 7.760 -0.604 18269
283 1 . 1 1 63 63 LYS N N 63 121.251 121.251 122.432 -1.181 18269
284 1 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.191 -0.094 18269
285 1 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.403 0.869 18269
286 1 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.066 0.089 18269
287 1 . 1 1 63 63 LYS H H 63 8.626 8.626 8.426 0.200 18269
288 1 . 1 1 64 64 ASP N N 64 116.607 116.607 118.075 -1.468 18269
289 1 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.648 -0.091 18269
290 1 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.388 -0.486 18269
291 1 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.594 -1.488 18269
292 1 . 1 1 64 64 ASP H H 64 8.441 8.441 8.030 0.411 18269
293 1 . 1 1 65 65 ALA N N 65 122.486 122.486 122.008 0.478 18269
294 1 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.497 -0.412 18269
295 1 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.354 1.195 18269
296 1 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.465 -0.908 18269
297 1 . 1 1 65 65 ALA H H 65 7.368 7.368 7.556 -0.188 18269
298 1 . 1 1 66 66 ALA N N 66 124.171 124.171 122.121 2.050 18269
299 1 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.348 0.096 18269
300 1 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.245 0.226 18269
301 1 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.894 0.371 18269
302 1 . 1 1 66 66 ALA H H 66 8.300 8.300 8.486 -0.186 18269
303 1 . 1 1 67 67 THR N N 67 111.638 111.638 117.320 -5.682 18269
304 1 . 1 1 67 67 THR HA H 67 4.496 4.496 4.126 0.370 18269
305 1 . 1 1 67 67 THR CA C 67 60.881 60.881 64.326 -3.445 18269
306 1 . 1 1 67 67 THR CB C 67 70.199 70.199 69.053 1.145 18269
307 1 . 1 1 67 67 THR H H 67 7.730 7.730 8.431 -0.701 18269
308 1 . 1 1 68 68 LYS N N 68 121.732 121.732 121.900 -0.168 18269
309 1 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.149 0.387 18269
310 1 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.788 -2.226 18269
311 1 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.103 0.996 18269
312 1 . 1 1 68 68 LYS H H 68 8.502 8.502 8.166 0.336 18269
313 1 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.938 0.401 18269
314 1 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.146 -1.440 18269
315 1 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.785 0.015 18269
316 1 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.071 0.060 18269
317 1 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.897 0.719 18269
318 1 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.583 0.155 18269
319 1 . 1 1 71 71 SER HA H 71 4.817 4.817 4.280 0.537 18269
320 1 . 1 1 71 71 SER CA C 71 60.667 60.667 61.133 -0.466 18269
321 1 . 1 1 71 71 SER CB C 71 62.646 62.646 62.772 -0.126 18269
322 1 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.156 0.108 18269
323 1 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.655 -2.026 18269
324 1 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.396 -1.149 18269
325 1 . 1 1 73 73 VAL N N 73 114.786 114.786 118.009 -3.223 18269
326 1 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.945 0.157 18269
327 1 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.589 -1.848 18269
328 1 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.989 1.276 18269
329 1 . 1 1 73 73 VAL H H 73 7.812 7.812 7.763 0.049 18269
330 1 . 1 1 74 74 THR HA H 74 3.767 3.767 3.965 -0.198 18269
331 1 . 1 1 74 74 THR CA C 74 65.584 65.584 66.214 -0.630 18269
332 1 . 1 1 74 74 THR CB C 74 67.470 67.470 68.529 -1.059 18269
333 1 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.192 0.054 18269
334 1 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.319 1.064 18269
335 1 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.911 0.709 18269
336 1 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.367 0.118 18269
337 1 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.223 0.474 18269
338 1 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.506 -0.611 18269
339 1 . 1 1 77 77 MET N N 77 117.583 117.583 115.569 2.014 18269
340 1 . 1 1 77 77 MET HA H 77 4.684 4.684 4.346 0.338 18269
341 1 . 1 1 77 77 MET CA C 77 59.347 59.347 56.281 3.066 18269
342 1 . 1 1 77 77 MET CB C 77 32.996 32.996 31.523 1.473 18269
343 1 . 1 1 77 77 MET H H 77 7.685 7.685 8.169 -0.484 18269
344 1 . 1 1 78 78 SER N N 78 114.578 114.578 113.880 0.698 18269
345 1 . 1 1 78 78 SER HA H 78 4.226 4.226 4.288 -0.062 18269
346 1 . 1 1 78 78 SER CA C 78 61.922 61.922 60.000 1.922 18269
347 1 . 1 1 78 78 SER CB C 78 62.406 62.406 63.675 -1.269 18269
348 1 . 1 1 78 78 SER H H 78 8.285 8.285 7.669 0.616 18269
349 1 . 1 1 79 79 VAL N N 79 111.248 111.248 118.001 -6.753 18269
350 1 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.201 0.550 18269
351 1 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.201 -0.075 18269
352 1 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.598 -4.252 18269
353 1 . 1 1 79 79 VAL H H 79 7.004 7.004 7.394 -0.390 18269
354 1 . 1 1 80 80 HIS N N 80 116.703 116.703 122.480 -5.777 18269
355 1 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.737 -0.621 18269
356 1 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.536 -0.710 18269
357 1 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.691 -3.802 18269
358 1 . 1 1 80 80 HIS H H 80 8.289 8.289 8.498 -0.209 18269
359 1 . 1 1 81 81 MET N N 81 120.978 120.978 122.688 -1.710 18269
360 1 . 1 1 81 81 MET HA H 81 4.512 4.512 4.738 -0.226 18269
361 1 . 1 1 81 81 MET CA C 81 55.007 55.007 53.371 1.636 18269
362 1 . 1 1 81 81 MET CB C 81 33.265 33.265 33.650 -0.385 18269
363 1 . 1 1 81 81 MET H H 81 8.006 8.006 8.419 -0.413 18269
364 1 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.182 0.159 18269
365 1 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.698 -1.462 18269
366 1 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.676 1.987 18269
367 1 . 1 1 83 83 ALA N N 83 126.545 126.545 120.934 5.611 18269
368 1 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.864 0.082 18269
369 1 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.059 0.914 18269
370 1 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.228 1.247 18269
371 1 . 1 1 83 83 ALA H H 83 9.196 9.196 8.089 1.107 18269
372 1 . 1 1 84 84 MET N N 84 114.734 114.734 116.575 -1.841 18269
373 1 . 1 1 84 84 MET HA H 84 4.024 4.024 4.422 -0.398 18269
374 1 . 1 1 84 84 MET CA C 84 58.812 58.812 58.000 0.812 18269
375 1 . 1 1 84 84 MET CB C 84 32.242 32.242 31.838 0.404 18269
376 1 . 1 1 84 84 MET H H 84 9.289 9.289 7.957 1.332 18269
377 1 . 1 1 85 85 LYS N N 85 116.490 116.490 119.292 -2.802 18269
378 1 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.279 -0.105 18269
379 1 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.471 -0.355 18269
380 1 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.137 -0.344 18269
381 1 . 1 1 85 85 LYS H H 85 6.997 6.997 8.364 -1.367 18269
382 1 . 1 1 86 86 ILE N N 86 120.561 120.561 120.598 -0.037 18269
383 1 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.692 -0.077 18269
384 1 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.848 1.430 18269
385 1 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.744 -0.224 18269
386 1 . 1 1 86 86 ILE H H 86 7.875 7.875 7.613 0.262 18269
387 1 . 1 1 87 87 CYS N N 87 117.323 117.323 118.801 -1.478 18269
388 1 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.127 -0.051 18269
389 1 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.919 -0.859 18269
390 1 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.825 16.908 18269
391 1 . 1 1 87 87 CYS H H 87 8.643 8.643 7.883 0.760 18269
392 1 . 1 1 88 88 GLU N N 88 118.070 118.070 120.036 -1.966 18269
393 1 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.051 -0.103 18269
394 1 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.002 0.761 18269
395 1 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.394 0.370 18269
396 1 . 1 1 88 88 GLU H H 88 8.045 8.045 7.867 0.178 18269
397 1 . 1 1 89 89 LYS N N 89 119.719 119.719 119.569 0.150 18269
398 1 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.108 0.030 18269
399 1 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.893 0.237 18269
400 1 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.414 -0.711 18269
401 1 . 1 1 89 89 LYS H H 89 7.530 7.530 7.986 -0.456 18269
402 1 . 1 1 90 90 LEU N N 90 119.550 119.550 119.926 -0.376 18269
403 1 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.068 -0.103 18269
404 1 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.173 0.170 18269
405 1 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.489 -0.498 18269
406 1 . 1 1 90 90 LEU H H 90 8.422 8.422 8.168 0.254 18269
407 1 . 1 1 91 91 LYS N N 91 119.180 119.180 118.533 0.647 18269
408 1 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.280 -0.418 18269
409 1 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.610 -0.004 18269
410 1 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.000 0.477 18269
411 1 . 1 1 91 91 LYS H H 91 8.218 8.218 7.687 0.531 18269
412 1 . 1 1 92 92 LYS N N 92 113.632 113.632 118.606 -4.974 18269
413 1 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.135 -0.083 18269
414 1 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.263 -0.705 18269
415 1 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.315 -0.381 18269
416 1 . 1 1 92 92 LYS H H 92 6.984 6.984 7.479 -0.495 18269
417 1 . 1 1 93 93 LEU N N 93 119.104 119.104 118.872 0.232 18269
418 1 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.321 -0.031 18269
419 1 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.254 -0.150 18269
420 1 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.112 -1.010 18269
421 1 . 1 1 93 93 LEU H H 93 7.456 7.456 7.546 -0.090 18269
422 1 . 1 1 94 94 ASP N N 94 116.790 116.790 117.183 -0.393 18269
423 1 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.753 -0.197 18269
424 1 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.723 0.644 18269
425 1 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.886 -1.713 18269
426 1 . 1 1 94 94 ASP H H 94 7.911 7.911 8.209 -0.298 18269
427 1 . 1 1 95 95 SER N N 95 122.399 122.399 120.322 2.077 18269
428 1 . 1 1 95 95 SER HA H 95 4.186 4.186 4.315 -0.129 18269
429 1 . 1 1 95 95 SER CA C 95 61.472 61.472 60.502 0.970 18269
430 1 . 1 1 95 95 SER CB C 95 62.568 62.568 63.417 -0.849 18269
431 1 . 1 1 95 95 SER H H 95 8.894 8.894 8.748 0.146 18269
432 1 . 1 1 96 96 GLN N N 96 120.800 120.800 121.757 -0.957 18269
433 1 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.085 -0.223 18269
434 1 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.749 0.402 18269
435 1 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.241 0.176 18269
436 1 . 1 1 96 96 GLN H H 96 8.610 8.610 8.155 0.455 18269
437 1 . 1 1 97 97 ILE N N 97 117.387 117.387 118.560 -1.173 18269
438 1 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.449 -0.050 18269
439 1 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.935 1.896 18269
440 1 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.892 0.381 18269
441 1 . 1 1 97 97 ILE H H 97 7.470 7.470 7.857 -0.387 18269
442 1 . 1 1 98 98 CYS N N 98 113.485 113.485 116.428 -2.943 18269
443 1 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.373 0.698 18269
444 1 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.297 2.676 18269
445 1 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.288 21.298 18269
446 1 . 1 1 98 98 CYS H H 98 7.410 7.410 7.569 -0.159 18269
447 1 . 1 1 99 99 GLU N N 99 119.123 119.123 120.371 -1.248 18269
448 1 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.298 0.025 18269
449 1 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.462 0.264 18269
450 1 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.826 1.153 18269
451 1 . 1 1 99 99 GLU H H 99 7.308 7.308 7.725 -0.417 18269
452 1 . 1 1 100 100 LEU N N 100 115.771 115.771 119.649 -3.878 18269
453 1 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.028 0.269 18269
454 1 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.896 -0.214 18269
455 1 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.970 0.991 18269
456 1 . 1 1 100 100 LEU H H 100 6.496 6.496 7.674 -1.178 18269
457 1 . 1 1 101 101 LYS N N 101 125.672 125.672 115.151 10.521 18269
458 1 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.002 0.592 18269
459 1 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.654 -1.304 18269
460 1 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.526 4.197 18269
461 1 . 1 1 101 101 LYS H H 101 8.575 8.575 7.812 0.763 18269
462 1 . 1 1 102 102 TYR N N 102 120.395 120.395 122.310 -1.915 18269
463 1 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.312 0.070 18269
464 1 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.502 0.522 18269
465 1 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.296 0.032 18269
466 1 . 1 1 102 102 TYR H H 102 8.756 8.756 8.745 0.011 18269
467 1 . 1 1 103 103 GLU N N 103 121.550 121.550 118.999 2.551 18269
468 1 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.250 0.142 18269
469 1 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.144 -0.817 18269
470 1 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.153 1.149 18269
471 1 . 1 1 103 103 GLU H H 103 8.835 8.835 8.601 0.234 18269
472 1 . 1 1 104 104 LYS N N 104 122.957 122.957 119.801 3.156 18269
473 1 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.241 0.220 18269
474 1 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.008 -0.734 18269
475 1 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.139 0.908 18269
476 1 . 1 1 104 104 LYS H H 104 8.490 8.490 8.381 0.109 18269
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save_