data_17867
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17867
_Entry.PDB_ID 2LHU
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 17867
_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 83 83 ASP N N 316 121.228 121.228 120.850 0.378 17867
2 1 1 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.461 0.089 17867
3 1 1 . 1 1 83 83 ASP C C 316 177.400 177.400 177.584 -0.184 17867
4 1 1 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.312 1.458 17867
5 1 1 . 1 1 83 83 ASP CB C 316 41.030 41.030 42.605 -1.575 17867
6 1 1 . 1 1 83 83 ASP H H 316 8.199 8.199 8.546 -0.347 17867
7 1 1 . 1 1 84 84 VAL N N 317 121.668 121.668 120.630 1.038 17867
8 1 1 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.626 -0.316 17867
9 1 1 . 1 1 84 84 VAL C C 317 175.800 175.800 177.319 -1.519 17867
10 1 1 . 1 1 84 84 VAL CA C 317 64.710 64.710 66.312 -1.602 17867
11 1 1 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.968 -0.928 17867
12 1 1 . 1 1 84 84 VAL H H 317 8.096 8.096 8.298 -0.202 17867
13 1 1 . 1 1 85 85 TRP N N 318 121.197 121.197 120.881 0.316 17867
14 1 1 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.065 0.195 17867
15 1 1 . 1 1 85 85 TRP C C 318 177.500 177.500 177.170 0.330 17867
16 1 1 . 1 1 85 85 TRP CA C 318 59.610 59.610 62.102 -2.492 17867
17 1 1 . 1 1 85 85 TRP CB C 318 28.820 28.820 29.200 -0.380 17867
18 1 1 . 1 1 85 85 TRP H H 318 7.706 7.706 8.669 -0.963 17867
19 1 1 . 1 1 86 86 GLU N N 319 117.895 117.895 118.013 -0.118 17867
20 1 1 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.894 0.156 17867
21 1 1 . 1 1 86 86 GLU C C 319 178.500 178.500 178.515 -0.015 17867
22 1 1 . 1 1 86 86 GLU CA C 319 58.300 58.300 59.108 -0.808 17867
23 1 1 . 1 1 86 86 GLU CB C 319 29.260 29.260 29.236 0.024 17867
24 1 1 . 1 1 86 86 GLU H H 319 7.604 7.604 8.200 -0.596 17867
25 1 1 . 1 1 87 87 ILE N N 320 119.002 119.002 119.921 -0.919 17867
26 1 1 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.719 -0.039 17867
27 1 1 . 1 1 87 87 ILE C C 320 179.300 179.300 177.967 1.333 17867
28 1 1 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.721 -0.371 17867
29 1 1 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.142 -0.202 17867
30 1 1 . 1 1 87 87 ILE H H 320 7.428 7.428 8.110 -0.682 17867
31 1 1 . 1 1 88 88 LEU N N 321 119.705 119.705 119.524 0.181 17867
32 1 1 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.886 -0.036 17867
33 1 1 . 1 1 88 88 LEU C C 321 178.600 178.600 178.274 0.326 17867
34 1 1 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.950 -0.360 17867
35 1 1 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.522 1.468 17867
36 1 1 . 1 1 88 88 LEU H H 321 8.231 8.231 8.440 -0.209 17867
37 1 1 . 1 1 89 89 ARG N N 322 116.816 116.816 116.971 -0.155 17867
38 1 1 . 1 1 89 89 ARG HA H 322 3.790 3.790 3.779 0.011 17867
39 1 1 . 1 1 89 89 ARG C C 322 177.500 177.500 177.567 -0.067 17867
40 1 1 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.556 0.624 17867
41 1 1 . 1 1 89 89 ARG CB C 322 29.930 29.930 29.850 0.080 17867
42 1 1 . 1 1 89 89 ARG H H 322 8.068 8.068 7.397 0.671 17867
43 1 1 . 1 1 90 90 GLN N N 323 114.097 114.097 115.437 -1.340 17867
44 1 1 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.370 0.050 17867
45 1 1 . 1 1 90 90 GLN C C 323 175.300 175.300 175.548 -0.248 17867
46 1 1 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.582 -0.392 17867
47 1 1 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.926 -1.046 17867
48 1 1 . 1 1 90 90 GLN H H 323 7.275 7.275 7.581 -0.306 17867
49 1 1 . 1 1 91 91 ALA N N 324 124.443 124.443 124.143 0.300 17867
50 1 1 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.590 0.070 17867
51 1 1 . 1 1 91 91 ALA C C 324 174.300 174.300 175.514 -1.214 17867
52 1 1 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.069 0.331 17867
53 1 1 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.831 0.100 17867
54 1 1 . 1 1 91 91 ALA H H 324 7.634 7.634 7.775 -0.141 17867
55 1 1 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.632 1.188 17867
56 1 1 . 1 1 93 93 PRO C C 326 178.300 178.300 177.942 0.358 17867
57 1 1 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.454 -0.724 17867
58 1 1 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.427 0.363 17867
59 1 1 . 1 1 94 94 SER N N 327 111.738 111.738 113.147 -1.409 17867
60 1 1 . 1 1 94 94 SER HA H 327 4.100 4.100 4.251 -0.151 17867
61 1 1 . 1 1 94 94 SER C C 327 175.800 175.800 175.502 0.298 17867
62 1 1 . 1 1 94 94 SER CA C 327 60.170 60.170 60.170 -0.000 17867
63 1 1 . 1 1 94 94 SER CB C 327 62.070 62.070 62.786 -0.716 17867
64 1 1 . 1 1 94 94 SER H H 327 7.938 7.938 7.964 -0.026 17867
65 1 1 . 1 1 95 95 GLU N N 328 119.807 119.807 119.557 0.250 17867
66 1 1 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.518 0.012 17867
67 1 1 . 1 1 95 95 GLU C C 328 176.500 176.500 176.525 -0.025 17867
68 1 1 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.456 0.104 17867
69 1 1 . 1 1 95 95 GLU CB C 328 30.710 30.710 30.070 0.640 17867
70 1 1 . 1 1 95 95 GLU H H 328 8.201 8.201 7.492 0.709 17867
71 1 1 . 1 1 96 96 TYR N N 329 118.008 118.008 119.987 -1.979 17867
72 1 1 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.071 0.129 17867
73 1 1 . 1 1 96 96 TYR C C 329 177.300 177.300 177.742 -0.442 17867
74 1 1 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.899 -1.209 17867
75 1 1 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.917 -0.887 17867
76 1 1 . 1 1 96 96 TYR H H 329 7.458 7.458 7.314 0.144 17867
77 1 1 . 1 1 97 97 GLU N N 330 117.216 117.216 118.468 -1.252 17867
78 1 1 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.485 0.385 17867
79 1 1 . 1 1 97 97 GLU C C 330 178.500 178.500 178.416 0.084 17867
80 1 1 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.578 0.812 17867
81 1 1 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.926 -0.026 17867
82 1 1 . 1 1 97 97 GLU H H 330 8.679 8.679 8.597 0.082 17867
83 1 1 . 1 1 98 98 ARG N N 331 121.169 121.169 118.441 2.728 17867
84 1 1 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.050 0.080 17867
85 1 1 . 1 1 98 98 ARG C C 331 178.900 178.900 178.707 0.193 17867
86 1 1 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.250 0.110 17867
87 1 1 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.014 11.046 17867
88 1 1 . 1 1 98 98 ARG H H 331 8.201 8.201 8.068 0.133 17867
89 1 1 . 1 1 99 99 ILE N N 332 120.544 120.544 119.608 0.936 17867
90 1 1 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.987 -0.157 17867
91 1 1 . 1 1 99 99 ILE C C 332 178.400 178.400 177.781 0.619 17867
92 1 1 . 1 1 99 99 ILE CA C 332 64.920 64.920 62.685 2.235 17867
93 1 1 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.061 1.249 17867
94 1 1 . 1 1 99 99 ILE H H 332 8.320 8.320 8.097 0.223 17867
95 1 1 . 1 1 100 100 ALA N N 333 122.141 122.141 123.865 -1.724 17867
96 1 1 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.072 -0.252 17867
97 1 1 . 1 1 100 100 ALA C C 333 179.500 179.500 180.015 -0.515 17867
98 1 1 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.390 0.250 17867
99 1 1 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.418 -0.178 17867
100 1 1 . 1 1 100 100 ALA H H 333 8.709 8.709 7.882 0.827 17867
101 1 1 . 1 1 101 101 PHE N N 334 118.102 118.102 116.569 1.533 17867
102 1 1 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.438 -0.088 17867
103 1 1 . 1 1 101 101 PHE C C 334 179.400 179.400 179.077 0.323 17867
104 1 1 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.266 2.444 17867
105 1 1 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.788 1.082 17867
106 1 1 . 1 1 101 101 PHE H H 334 8.275 8.275 8.345 -0.070 17867
107 1 1 . 1 1 102 102 GLN N N 335 119.590 119.590 119.725 -0.135 17867
108 1 1 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.141 -0.251 17867
109 1 1 . 1 1 102 102 GLN C C 335 176.900 176.900 176.783 0.117 17867
110 1 1 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.136 -0.006 17867
111 1 1 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.394 0.006 17867
112 1 1 . 1 1 102 102 GLN H H 335 8.382 8.382 8.050 0.332 17867
113 1 1 . 1 1 103 103 HIS N N 336 114.779 114.779 116.028 -1.249 17867
114 1 1 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.768 -0.268 17867
115 1 1 . 1 1 103 103 HIS C C 336 174.800 174.800 174.779 0.021 17867
116 1 1 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.737 0.903 17867
117 1 1 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.114 0.226 17867
118 1 1 . 1 1 103 103 HIS H H 336 7.753 7.753 7.767 -0.014 17867
119 1 1 . 1 1 104 104 GLY N N 337 108.669 108.669 107.724 0.945 17867
120 1 1 . 1 1 104 104 GLY C C 337 174.400 174.400 174.174 0.226 17867
121 1 1 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.541 0.898 17867
122 1 1 . 1 1 104 104 GLY H H 337 7.698 7.698 7.706 -0.008 17867
123 1 1 . 1 1 105 105 VAL N N 338 120.862 120.862 122.016 -1.154 17867
124 1 1 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.241 -0.241 17867
125 1 1 . 1 1 105 105 VAL C C 338 175.900 175.900 176.043 -0.143 17867
126 1 1 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.316 0.144 17867
127 1 1 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.160 -0.099 17867
128 1 1 . 1 1 105 105 VAL H H 338 8.216 8.216 8.235 -0.019 17867
129 1 1 . 1 1 106 106 THR N N 339 117.786 117.786 117.683 0.103 17867
130 1 1 . 1 1 106 106 THR HA H 339 4.340 4.340 4.557 -0.217 17867
131 1 1 . 1 1 106 106 THR C C 339 174.800 174.800 175.093 -0.293 17867
132 1 1 . 1 1 106 106 THR CA C 339 62.500 62.500 63.330 -0.830 17867
133 1 1 . 1 1 106 106 THR CB C 339 69.300 69.300 69.514 -0.214 17867
134 1 1 . 1 1 106 106 THR H H 339 8.285 8.285 8.607 -0.322 17867
135 1 1 . 1 1 107 107 ASP N N 340 122.147 122.147 124.001 -1.854 17867
136 1 1 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.796 -0.516 17867
137 1 1 . 1 1 107 107 ASP C C 340 175.800 175.800 176.320 -0.520 17867
138 1 1 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.954 -0.514 17867
139 1 1 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.898 0.122 17867
140 1 1 . 1 1 107 107 ASP H H 340 8.068 8.068 8.050 0.018 17867
141 1 1 . 1 1 108 108 LEU N N 341 125.614 125.614 125.993 -0.379 17867
142 1 1 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.081 -0.121 17867
143 1 1 . 1 1 108 108 LEU C C 341 178.200 178.200 177.874 0.326 17867
144 1 1 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.235 0.305 17867
145 1 1 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.310 -0.590 17867
146 1 1 . 1 1 108 108 LEU H H 341 8.520 8.520 7.824 0.696 17867
147 1 1 . 1 1 109 109 ARG N N 342 118.141 118.141 118.902 -0.761 17867
148 1 1 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.976 -0.046 17867
149 1 1 . 1 1 109 109 ARG C C 342 179.500 179.500 178.825 0.675 17867
150 1 1 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.618 -0.058 17867
151 1 1 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.592 -0.042 17867
152 1 1 . 1 1 109 109 ARG H H 342 8.501 8.501 8.512 -0.011 17867
153 1 1 . 1 1 110 110 GLY N N 343 108.347 108.347 107.205 1.142 17867
154 1 1 . 1 1 110 110 GLY C C 343 176.300 176.300 176.007 0.293 17867
155 1 1 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.746 0.194 17867
156 1 1 . 1 1 110 110 GLY H H 343 8.353 8.353 8.849 -0.496 17867
157 1 1 . 1 1 111 111 MET N N 344 122.736 122.736 121.964 0.772 17867
158 1 1 . 1 1 111 111 MET HA H 344 4.170 4.170 4.308 -0.138 17867
159 1 1 . 1 1 111 111 MET C C 344 177.800 177.800 178.082 -0.282 17867
160 1 1 . 1 1 111 111 MET CA C 344 58.620 58.620 57.429 1.191 17867
161 1 1 . 1 1 111 111 MET CB C 344 32.780 32.780 32.482 0.298 17867
162 1 1 . 1 1 111 111 MET H H 344 7.984 7.984 7.731 0.253 17867
163 1 1 . 1 1 112 112 LEU N N 345 118.666 118.666 119.032 -0.366 17867
164 1 1 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.908 0.082 17867
165 1 1 . 1 1 112 112 LEU C C 345 179.400 179.400 178.808 0.592 17867
166 1 1 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.199 0.441 17867
167 1 1 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.221 -0.041 17867
168 1 1 . 1 1 112 112 LEU H H 345 8.340 8.340 8.493 -0.153 17867
169 1 1 . 1 1 113 113 LYS N N 346 119.190 119.190 120.224 -1.034 17867
170 1 1 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.068 -0.028 17867
171 1 1 . 1 1 113 113 LYS C C 346 179.000 179.000 178.639 0.361 17867
172 1 1 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.306 -0.167 17867
173 1 1 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.238 0.102 17867
174 1 1 . 1 1 113 113 LYS H H 346 7.786 7.786 8.114 -0.328 17867
175 1 1 . 1 1 114 114 ARG N N 347 119.664 119.664 117.842 1.822 17867
176 1 1 . 1 1 114 114 ARG HA H 347 4.080 4.080 4.226 -0.146 17867
177 1 1 . 1 1 114 114 ARG C C 347 178.600 178.600 178.854 -0.254 17867
178 1 1 . 1 1 114 114 ARG CA C 347 58.370 58.370 58.645 -0.275 17867
179 1 1 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.462 -0.342 17867
180 1 1 . 1 1 114 114 ARG H H 347 7.786 7.786 7.921 -0.135 17867
181 1 1 . 1 1 115 115 LEU N N 348 120.259 120.259 121.279 -1.020 17867
182 1 1 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.149 -0.019 17867
183 1 1 . 1 1 115 115 LEU C C 348 178.500 178.500 177.153 1.347 17867
184 1 1 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.447 -0.447 17867
185 1 1 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.340 -0.230 17867
186 1 1 . 1 1 115 115 LEU H H 348 8.199 8.199 8.127 0.072 17867
187 1 2 . 1 1 83 83 ASP N N 316 121.228 121.228 120.593 0.635 17867
188 1 2 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.710 -0.160 17867
189 1 2 . 1 1 83 83 ASP C C 316 177.400 177.400 176.797 0.603 17867
190 1 2 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.443 1.327 17867
191 1 2 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.592 -0.562 17867
192 1 2 . 1 1 83 83 ASP H H 316 8.199 8.199 8.759 -0.560 17867
193 1 2 . 1 1 84 84 VAL N N 317 121.668 121.668 120.735 0.933 17867
194 1 2 . 1 1 84 84 VAL HA H 317 3.310 3.310 2.991 0.319 17867
195 1 2 . 1 1 84 84 VAL C C 317 175.800 175.800 176.916 -1.116 17867
196 1 2 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.256 -0.546 17867
197 1 2 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.911 -0.871 17867
198 1 2 . 1 1 84 84 VAL H H 317 8.096 8.096 8.449 -0.353 17867
199 1 2 . 1 1 85 85 TRP N N 318 121.197 121.197 117.672 3.525 17867
200 1 2 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.337 -0.077 17867
201 1 2 . 1 1 85 85 TRP C C 318 177.500 177.500 176.784 0.716 17867
202 1 2 . 1 1 85 85 TRP CA C 318 59.610 59.610 58.805 0.805 17867
203 1 2 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.369 0.451 17867
204 1 2 . 1 1 85 85 TRP H H 318 7.706 7.706 8.146 -0.440 17867
205 1 2 . 1 1 86 86 GLU N N 319 117.895 117.895 120.401 -2.506 17867
206 1 2 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.766 0.284 17867
207 1 2 . 1 1 86 86 GLU C C 319 178.500 178.500 177.573 0.927 17867
208 1 2 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.634 -0.334 17867
209 1 2 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.509 0.751 17867
210 1 2 . 1 1 86 86 GLU H H 319 7.604 7.604 7.049 0.555 17867
211 1 2 . 1 1 87 87 ILE N N 320 119.002 119.002 118.381 0.621 17867
212 1 2 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.906 -0.226 17867
213 1 2 . 1 1 87 87 ILE C C 320 179.300 179.300 177.607 1.693 17867
214 1 2 . 1 1 87 87 ILE CA C 320 64.350 64.350 61.958 2.393 17867
215 1 2 . 1 1 87 87 ILE CB C 320 37.940 37.940 37.744 0.196 17867
216 1 2 . 1 1 87 87 ILE H H 320 7.428 7.428 7.352 0.076 17867
217 1 2 . 1 1 88 88 LEU N N 321 119.705 119.705 120.698 -0.993 17867
218 1 2 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.843 0.007 17867
219 1 2 . 1 1 88 88 LEU C C 321 178.600 178.600 179.058 -0.458 17867
220 1 2 . 1 1 88 88 LEU CA C 321 57.590 57.590 58.199 -0.609 17867
221 1 2 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.919 1.071 17867
222 1 2 . 1 1 88 88 LEU H H 321 8.231 8.231 8.288 -0.057 17867
223 1 2 . 1 1 89 89 ARG N N 322 116.816 116.816 117.187 -0.371 17867
224 1 2 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.147 -0.357 17867
225 1 2 . 1 1 89 89 ARG C C 322 177.500 177.500 177.582 -0.082 17867
226 1 2 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.206 0.974 17867
227 1 2 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.059 -0.129 17867
228 1 2 . 1 1 89 89 ARG H H 322 8.068 8.068 7.809 0.259 17867
229 1 2 . 1 1 90 90 GLN N N 323 114.097 114.097 116.403 -2.306 17867
230 1 2 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.380 0.040 17867
231 1 2 . 1 1 90 90 GLN C C 323 175.300 175.300 176.151 -0.851 17867
232 1 2 . 1 1 90 90 GLN CA C 323 55.190 55.190 56.442 -1.252 17867
233 1 2 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.614 -0.734 17867
234 1 2 . 1 1 90 90 GLN H H 323 7.275 7.275 7.497 -0.222 17867
235 1 2 . 1 1 91 91 ALA N N 324 124.443 124.443 124.703 -0.260 17867
236 1 2 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.643 0.017 17867
237 1 2 . 1 1 91 91 ALA C C 324 174.300 174.300 174.835 -0.535 17867
238 1 2 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.381 0.019 17867
239 1 2 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.855 0.075 17867
240 1 2 . 1 1 91 91 ALA H H 324 7.634 7.634 8.088 -0.454 17867
241 1 2 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.338 1.482 17867
242 1 2 . 1 1 93 93 PRO C C 326 178.300 178.300 177.565 0.735 17867
243 1 2 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.341 -0.611 17867
244 1 2 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.354 0.437 17867
245 1 2 . 1 1 94 94 SER N N 327 111.738 111.738 113.904 -2.166 17867
246 1 2 . 1 1 94 94 SER HA H 327 4.100 4.100 4.254 -0.154 17867
247 1 2 . 1 1 94 94 SER C C 327 175.800 175.800 175.564 0.236 17867
248 1 2 . 1 1 94 94 SER CA C 327 60.170 60.170 60.308 -0.138 17867
249 1 2 . 1 1 94 94 SER CB C 327 62.070 62.070 62.465 -0.395 17867
250 1 2 . 1 1 94 94 SER H H 327 7.938 7.938 8.031 -0.093 17867
251 1 2 . 1 1 95 95 GLU N N 328 119.807 119.807 119.680 0.127 17867
252 1 2 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.556 -0.026 17867
253 1 2 . 1 1 95 95 GLU C C 328 176.500 176.500 177.237 -0.737 17867
254 1 2 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.903 -0.343 17867
255 1 2 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.501 1.209 17867
256 1 2 . 1 1 95 95 GLU H H 328 8.201 8.201 7.671 0.530 17867
257 1 2 . 1 1 96 96 TYR N N 329 118.008 118.008 120.111 -2.103 17867
258 1 2 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.078 0.122 17867
259 1 2 . 1 1 96 96 TYR C C 329 177.300 177.300 177.478 -0.178 17867
260 1 2 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.507 -0.817 17867
261 1 2 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.591 -0.561 17867
262 1 2 . 1 1 96 96 TYR H H 329 7.458 7.458 7.305 0.153 17867
263 1 2 . 1 1 97 97 GLU N N 330 117.216 117.216 119.350 -2.134 17867
264 1 2 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.683 0.187 17867
265 1 2 . 1 1 97 97 GLU C C 330 178.500 178.500 178.664 -0.164 17867
266 1 2 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.441 0.949 17867
267 1 2 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.082 -0.182 17867
268 1 2 . 1 1 97 97 GLU H H 330 8.679 8.679 8.586 0.093 17867
269 1 2 . 1 1 98 98 ARG N N 331 121.169 121.169 118.424 2.745 17867
270 1 2 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.012 0.118 17867
271 1 2 . 1 1 98 98 ARG C C 331 178.900 178.900 179.099 -0.199 17867
272 1 2 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.450 0.910 17867
273 1 2 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.294 10.766 17867
274 1 2 . 1 1 98 98 ARG H H 331 8.201 8.201 7.466 0.735 17867
275 1 2 . 1 1 99 99 ILE N N 332 120.544 120.544 120.688 -0.144 17867
276 1 2 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.715 0.115 17867
277 1 2 . 1 1 99 99 ILE C C 332 178.400 178.400 177.625 0.775 17867
278 1 2 . 1 1 99 99 ILE CA C 332 64.920 64.920 65.117 -0.197 17867
279 1 2 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.750 0.560 17867
280 1 2 . 1 1 99 99 ILE H H 332 8.320 8.320 8.157 0.163 17867
281 1 2 . 1 1 100 100 ALA N N 333 122.141 122.141 122.808 -0.667 17867
282 1 2 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.050 -0.230 17867
283 1 2 . 1 1 100 100 ALA C C 333 179.500 179.500 179.740 -0.240 17867
284 1 2 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.298 0.342 17867
285 1 2 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.337 -0.097 17867
286 1 2 . 1 1 100 100 ALA H H 333 8.709 8.709 7.894 0.815 17867
287 1 2 . 1 1 101 101 PHE N N 334 118.102 118.102 117.354 0.748 17867
288 1 2 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.390 -0.040 17867
289 1 2 . 1 1 101 101 PHE C C 334 179.400 179.400 179.156 0.244 17867
290 1 2 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.322 2.388 17867
291 1 2 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.673 1.197 17867
292 1 2 . 1 1 101 101 PHE H H 334 8.275 8.275 7.665 0.610 17867
293 1 2 . 1 1 102 102 GLN N N 335 119.590 119.590 119.904 -0.314 17867
294 1 2 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.161 -0.271 17867
295 1 2 . 1 1 102 102 GLN C C 335 176.900 176.900 176.812 0.088 17867
296 1 2 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.167 -0.037 17867
297 1 2 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.529 -0.129 17867
298 1 2 . 1 1 102 102 GLN H H 335 8.382 8.382 8.300 0.082 17867
299 1 2 . 1 1 103 103 HIS N N 336 114.779 114.779 115.420 -0.641 17867
300 1 2 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.732 -0.232 17867
301 1 2 . 1 1 103 103 HIS C C 336 174.800 174.800 174.908 -0.108 17867
302 1 2 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.507 1.133 17867
303 1 2 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.190 0.150 17867
304 1 2 . 1 1 103 103 HIS H H 336 7.753 7.753 7.711 0.042 17867
305 1 2 . 1 1 104 104 GLY N N 337 108.669 108.669 108.103 0.566 17867
306 1 2 . 1 1 104 104 GLY C C 337 174.400 174.400 174.532 -0.132 17867
307 1 2 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.512 0.928 17867
308 1 2 . 1 1 104 104 GLY H H 337 7.698 7.698 7.676 0.022 17867
309 1 2 . 1 1 105 105 VAL N N 338 120.862 120.862 121.984 -1.122 17867
310 1 2 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.148 -0.148 17867
311 1 2 . 1 1 105 105 VAL C C 338 175.900 175.900 176.060 -0.160 17867
312 1 2 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.824 -0.364 17867
313 1 2 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.203 -0.143 17867
314 1 2 . 1 1 105 105 VAL H H 338 8.216 8.216 8.225 -0.009 17867
315 1 2 . 1 1 106 106 THR N N 339 117.786 117.786 117.748 0.038 17867
316 1 2 . 1 1 106 106 THR HA H 339 4.340 4.340 4.436 -0.096 17867
317 1 2 . 1 1 106 106 THR C C 339 174.800 174.800 174.796 0.004 17867
318 1 2 . 1 1 106 106 THR CA C 339 62.500 62.500 62.763 -0.263 17867
319 1 2 . 1 1 106 106 THR CB C 339 69.300 69.300 69.520 -0.220 17867
320 1 2 . 1 1 106 106 THR H H 339 8.285 8.285 8.525 -0.240 17867
321 1 2 . 1 1 107 107 ASP N N 340 122.147 122.147 123.737 -1.590 17867
322 1 2 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.819 -0.539 17867
323 1 2 . 1 1 107 107 ASP C C 340 175.800 175.800 176.229 -0.429 17867
324 1 2 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.709 -0.269 17867
325 1 2 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.341 -0.321 17867
326 1 2 . 1 1 107 107 ASP H H 340 8.068 8.068 7.902 0.166 17867
327 1 2 . 1 1 108 108 LEU N N 341 125.614 125.614 126.690 -1.076 17867
328 1 2 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.033 -0.073 17867
329 1 2 . 1 1 108 108 LEU C C 341 178.200 178.200 177.940 0.260 17867
330 1 2 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.490 0.050 17867
331 1 2 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.368 -0.648 17867
332 1 2 . 1 1 108 108 LEU H H 341 8.520 8.520 7.822 0.698 17867
333 1 2 . 1 1 109 109 ARG N N 342 118.141 118.141 118.649 -0.508 17867
334 1 2 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.976 -0.046 17867
335 1 2 . 1 1 109 109 ARG C C 342 179.500 179.500 178.857 0.643 17867
336 1 2 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.279 0.282 17867
337 1 2 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.599 -0.049 17867
338 1 2 . 1 1 109 109 ARG H H 342 8.501 8.501 8.484 0.017 17867
339 1 2 . 1 1 110 110 GLY N N 343 108.347 108.347 107.643 0.704 17867
340 1 2 . 1 1 110 110 GLY C C 343 176.300 176.300 176.113 0.187 17867
341 1 2 . 1 1 110 110 GLY CA C 343 46.940 46.940 47.068 -0.128 17867
342 1 2 . 1 1 110 110 GLY H H 343 8.353 8.353 8.932 -0.579 17867
343 1 2 . 1 1 111 111 MET N N 344 122.736 122.736 120.156 2.580 17867
344 1 2 . 1 1 111 111 MET HA H 344 4.170 4.170 4.351 -0.181 17867
345 1 2 . 1 1 111 111 MET C C 344 177.800 177.800 178.246 -0.446 17867
346 1 2 . 1 1 111 111 MET CA C 344 58.620 58.620 56.164 2.456 17867
347 1 2 . 1 1 111 111 MET CB C 344 32.780 32.780 31.860 0.920 17867
348 1 2 . 1 1 111 111 MET H H 344 7.984 7.984 7.473 0.511 17867
349 1 2 . 1 1 112 112 LEU N N 345 118.666 118.666 119.187 -0.521 17867
350 1 2 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.982 0.008 17867
351 1 2 . 1 1 112 112 LEU C C 345 179.400 179.400 178.215 1.185 17867
352 1 2 . 1 1 112 112 LEU CA C 345 57.640 57.640 56.855 0.785 17867
353 1 2 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.188 -0.008 17867
354 1 2 . 1 1 112 112 LEU H H 345 8.340 8.340 8.181 0.159 17867
355 1 2 . 1 1 113 113 LYS N N 346 119.190 119.190 117.717 1.473 17867
356 1 2 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.139 -0.099 17867
357 1 2 . 1 1 113 113 LYS C C 346 179.000 179.000 179.181 -0.181 17867
358 1 2 . 1 1 113 113 LYS CA C 346 59.140 59.140 58.581 0.559 17867
359 1 2 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.283 0.057 17867
360 1 2 . 1 1 113 113 LYS H H 346 7.786 7.786 7.882 -0.096 17867
361 1 2 . 1 1 114 114 ARG N N 347 119.664 119.664 119.334 0.330 17867
362 1 2 . 1 1 114 114 ARG HA H 347 4.080 4.080 4.012 0.068 17867
363 1 2 . 1 1 114 114 ARG C C 347 178.600 178.600 177.295 1.305 17867
364 1 2 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.612 0.758 17867
365 1 2 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.151 0.969 17867
366 1 2 . 1 1 114 114 ARG H H 347 7.786 7.786 7.533 0.253 17867
367 1 2 . 1 1 115 115 LEU N N 348 120.259 120.259 117.472 2.787 17867
368 1 2 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.118 0.012 17867
369 1 2 . 1 1 115 115 LEU C C 348 178.500 178.500 176.849 1.651 17867
370 1 2 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.248 0.752 17867
371 1 2 . 1 1 115 115 LEU CB C 348 42.110 42.110 41.860 0.250 17867
372 1 2 . 1 1 115 115 LEU H H 348 8.199 8.199 7.576 0.623 17867
373 1 3 . 1 1 83 83 ASP N N 316 121.228 121.228 121.472 -0.244 17867
374 1 3 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.652 -0.102 17867
375 1 3 . 1 1 83 83 ASP C C 316 177.400 177.400 176.724 0.676 17867
376 1 3 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.182 1.588 17867
377 1 3 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.583 -0.553 17867
378 1 3 . 1 1 83 83 ASP H H 316 8.199 8.199 8.537 -0.338 17867
379 1 3 . 1 1 84 84 VAL N N 317 121.668 121.668 120.622 1.046 17867
380 1 3 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.043 0.267 17867
381 1 3 . 1 1 84 84 VAL C C 317 175.800 175.800 176.686 -0.886 17867
382 1 3 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.219 -0.509 17867
383 1 3 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.994 -0.954 17867
384 1 3 . 1 1 84 84 VAL H H 317 8.096 8.096 8.296 -0.200 17867
385 1 3 . 1 1 85 85 TRP N N 318 121.197 121.197 117.683 3.514 17867
386 1 3 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.383 -0.123 17867
387 1 3 . 1 1 85 85 TRP C C 318 177.500 177.500 176.598 0.902 17867
388 1 3 . 1 1 85 85 TRP CA C 318 59.610 59.610 58.887 0.723 17867
389 1 3 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.364 0.456 17867
390 1 3 . 1 1 85 85 TRP H H 318 7.706 7.706 7.693 0.013 17867
391 1 3 . 1 1 86 86 GLU N N 319 117.895 117.895 122.084 -4.189 17867
392 1 3 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.799 0.251 17867
393 1 3 . 1 1 86 86 GLU C C 319 178.500 178.500 177.832 0.668 17867
394 1 3 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.616 -0.316 17867
395 1 3 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.894 0.366 17867
396 1 3 . 1 1 86 86 GLU H H 319 7.604 7.604 6.848 0.756 17867
397 1 3 . 1 1 87 87 ILE N N 320 119.002 119.002 118.873 0.129 17867
398 1 3 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.902 -0.222 17867
399 1 3 . 1 1 87 87 ILE C C 320 179.300 179.300 178.037 1.263 17867
400 1 3 . 1 1 87 87 ILE CA C 320 64.350 64.350 62.836 1.514 17867
401 1 3 . 1 1 87 87 ILE CB C 320 37.940 37.940 37.716 0.224 17867
402 1 3 . 1 1 87 87 ILE H H 320 7.428 7.428 7.878 -0.450 17867
403 1 3 . 1 1 88 88 LEU N N 321 119.705 119.705 119.432 0.273 17867
404 1 3 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.794 0.056 17867
405 1 3 . 1 1 88 88 LEU C C 321 178.600 178.600 178.297 0.303 17867
406 1 3 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.537 0.053 17867
407 1 3 . 1 1 88 88 LEU CB C 321 41.990 41.990 41.187 0.803 17867
408 1 3 . 1 1 88 88 LEU H H 321 8.231 8.231 7.588 0.643 17867
409 1 3 . 1 1 89 89 ARG N N 322 116.816 116.816 117.287 -0.471 17867
410 1 3 . 1 1 89 89 ARG HA H 322 3.790 3.790 3.974 -0.184 17867
411 1 3 . 1 1 89 89 ARG C C 322 177.500 177.500 178.177 -0.677 17867
412 1 3 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.683 0.497 17867
413 1 3 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.429 -0.499 17867
414 1 3 . 1 1 89 89 ARG H H 322 8.068 8.068 7.633 0.435 17867
415 1 3 . 1 1 90 90 GLN N N 323 114.097 114.097 115.167 -1.070 17867
416 1 3 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.435 -0.015 17867
417 1 3 . 1 1 90 90 GLN C C 323 175.300 175.300 175.747 -0.447 17867
418 1 3 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.574 -0.384 17867
419 1 3 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.751 -0.871 17867
420 1 3 . 1 1 90 90 GLN H H 323 7.275 7.275 7.678 -0.403 17867
421 1 3 . 1 1 91 91 ALA N N 324 124.443 124.443 125.200 -0.757 17867
422 1 3 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.714 -0.054 17867
423 1 3 . 1 1 91 91 ALA C C 324 174.300 174.300 175.021 -0.721 17867
424 1 3 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.562 -0.162 17867
425 1 3 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.840 0.090 17867
426 1 3 . 1 1 91 91 ALA H H 324 7.634 7.634 7.796 -0.162 17867
427 1 3 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.566 1.254 17867
428 1 3 . 1 1 93 93 PRO C C 326 178.300 178.300 177.634 0.666 17867
429 1 3 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.487 -0.757 17867
430 1 3 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.462 0.328 17867
431 1 3 . 1 1 94 94 SER N N 327 111.738 111.738 112.596 -0.858 17867
432 1 3 . 1 1 94 94 SER HA H 327 4.100 4.100 4.218 -0.118 17867
433 1 3 . 1 1 94 94 SER C C 327 175.800 175.800 175.421 0.379 17867
434 1 3 . 1 1 94 94 SER CA C 327 60.170 60.170 60.202 -0.032 17867
435 1 3 . 1 1 94 94 SER CB C 327 62.070 62.070 62.454 -0.384 17867
436 1 3 . 1 1 94 94 SER H H 327 7.938 7.938 8.025 -0.087 17867
437 1 3 . 1 1 95 95 GLU N N 328 119.807 119.807 119.362 0.445 17867
438 1 3 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.539 -0.009 17867
439 1 3 . 1 1 95 95 GLU C C 328 176.500 176.500 177.429 -0.929 17867
440 1 3 . 1 1 95 95 GLU CA C 328 55.560 55.560 56.029 -0.468 17867
441 1 3 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.626 1.084 17867
442 1 3 . 1 1 95 95 GLU H H 328 8.201 8.201 7.580 0.621 17867
443 1 3 . 1 1 96 96 TYR N N 329 118.008 118.008 119.934 -1.926 17867
444 1 3 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.053 0.147 17867
445 1 3 . 1 1 96 96 TYR C C 329 177.300 177.300 177.559 -0.259 17867
446 1 3 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.833 -1.143 17867
447 1 3 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.543 -0.513 17867
448 1 3 . 1 1 96 96 TYR H H 329 7.458 7.458 7.307 0.151 17867
449 1 3 . 1 1 97 97 GLU N N 330 117.216 117.216 119.545 -2.329 17867
450 1 3 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.468 0.402 17867
451 1 3 . 1 1 97 97 GLU C C 330 178.500 178.500 178.465 0.035 17867
452 1 3 . 1 1 97 97 GLU CA C 330 60.390 60.390 60.081 0.309 17867
453 1 3 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.271 -0.371 17867
454 1 3 . 1 1 97 97 GLU H H 330 8.679 8.679 8.697 -0.018 17867
455 1 3 . 1 1 98 98 ARG N N 331 121.169 121.169 118.243 2.926 17867
456 1 3 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.107 0.023 17867
457 1 3 . 1 1 98 98 ARG C C 331 178.900 178.900 179.201 -0.301 17867
458 1 3 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.799 0.561 17867
459 1 3 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.196 10.864 17867
460 1 3 . 1 1 98 98 ARG H H 331 8.201 8.201 7.552 0.649 17867
461 1 3 . 1 1 99 99 ILE N N 332 120.544 120.544 120.462 0.082 17867
462 1 3 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.756 0.074 17867
463 1 3 . 1 1 99 99 ILE C C 332 178.400 178.400 177.654 0.746 17867
464 1 3 . 1 1 99 99 ILE CA C 332 64.920 64.920 65.002 -0.082 17867
465 1 3 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.887 0.423 17867
466 1 3 . 1 1 99 99 ILE H H 332 8.320 8.320 8.363 -0.043 17867
467 1 3 . 1 1 100 100 ALA N N 333 122.141 122.141 122.903 -0.762 17867
468 1 3 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.071 -0.251 17867
469 1 3 . 1 1 100 100 ALA C C 333 179.500 179.500 179.908 -0.408 17867
470 1 3 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.258 0.382 17867
471 1 3 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.359 -0.119 17867
472 1 3 . 1 1 100 100 ALA H H 333 8.709 8.709 7.991 0.718 17867
473 1 3 . 1 1 101 101 PHE N N 334 118.102 118.102 117.010 1.092 17867
474 1 3 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.435 -0.085 17867
475 1 3 . 1 1 101 101 PHE C C 334 179.400 179.400 179.095 0.305 17867
476 1 3 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.176 2.534 17867
477 1 3 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.740 1.130 17867
478 1 3 . 1 1 101 101 PHE H H 334 8.275 8.275 7.753 0.522 17867
479 1 3 . 1 1 102 102 GLN N N 335 119.590 119.590 119.949 -0.359 17867
480 1 3 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.137 -0.247 17867
481 1 3 . 1 1 102 102 GLN C C 335 176.900 176.900 176.775 0.125 17867
482 1 3 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.136 -0.006 17867
483 1 3 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.384 0.016 17867
484 1 3 . 1 1 102 102 GLN H H 335 8.382 8.382 8.069 0.313 17867
485 1 3 . 1 1 103 103 HIS N N 336 114.779 114.779 115.618 -0.839 17867
486 1 3 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.711 -0.211 17867
487 1 3 . 1 1 103 103 HIS C C 336 174.800 174.800 175.107 -0.307 17867
488 1 3 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.566 1.075 17867
489 1 3 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.113 0.227 17867
490 1 3 . 1 1 103 103 HIS H H 336 7.753 7.753 7.677 0.076 17867
491 1 3 . 1 1 104 104 GLY N N 337 108.669 108.669 108.033 0.636 17867
492 1 3 . 1 1 104 104 GLY C C 337 174.400 174.400 174.407 -0.007 17867
493 1 3 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.499 0.941 17867
494 1 3 . 1 1 104 104 GLY H H 337 7.698 7.698 7.808 -0.110 17867
495 1 3 . 1 1 105 105 VAL N N 338 120.862 120.862 121.457 -0.595 17867
496 1 3 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.312 -0.312 17867
497 1 3 . 1 1 105 105 VAL C C 338 175.900 175.900 175.954 -0.054 17867
498 1 3 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.901 0.559 17867
499 1 3 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.627 -0.567 17867
500 1 3 . 1 1 105 105 VAL H H 338 8.216 8.216 8.185 0.031 17867
501 1 3 . 1 1 106 106 THR N N 339 117.786 117.786 117.079 0.707 17867
502 1 3 . 1 1 106 106 THR HA H 339 4.340 4.340 4.560 -0.220 17867
503 1 3 . 1 1 106 106 THR C C 339 174.800 174.800 174.894 -0.094 17867
504 1 3 . 1 1 106 106 THR CA C 339 62.500 62.500 62.869 -0.369 17867
505 1 3 . 1 1 106 106 THR CB C 339 69.300 69.300 69.531 -0.231 17867
506 1 3 . 1 1 106 106 THR H H 339 8.285 8.285 8.566 -0.281 17867
507 1 3 . 1 1 107 107 ASP N N 340 122.147 122.147 123.886 -1.739 17867
508 1 3 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.780 -0.500 17867
509 1 3 . 1 1 107 107 ASP C C 340 175.800 175.800 176.254 -0.454 17867
510 1 3 . 1 1 107 107 ASP CA C 340 52.440 52.440 53.017 -0.577 17867
511 1 3 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.805 0.215 17867
512 1 3 . 1 1 107 107 ASP H H 340 8.068 8.068 8.026 0.042 17867
513 1 3 . 1 1 108 108 LEU N N 341 125.614 125.614 125.870 -0.256 17867
514 1 3 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.084 -0.124 17867
515 1 3 . 1 1 108 108 LEU C C 341 178.200 178.200 177.802 0.398 17867
516 1 3 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.295 0.245 17867
517 1 3 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.261 -0.541 17867
518 1 3 . 1 1 108 108 LEU H H 341 8.520 8.520 7.830 0.690 17867
519 1 3 . 1 1 109 109 ARG N N 342 118.141 118.141 119.101 -0.960 17867
520 1 3 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.984 -0.054 17867
521 1 3 . 1 1 109 109 ARG C C 342 179.500 179.500 178.825 0.675 17867
522 1 3 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.636 -0.076 17867
523 1 3 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.578 -0.028 17867
524 1 3 . 1 1 109 109 ARG H H 342 8.501 8.501 8.523 -0.022 17867
525 1 3 . 1 1 110 110 GLY N N 343 108.347 108.347 107.304 1.043 17867
526 1 3 . 1 1 110 110 GLY C C 343 176.300 176.300 175.927 0.373 17867
527 1 3 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.681 0.259 17867
528 1 3 . 1 1 110 110 GLY H H 343 8.353 8.353 8.791 -0.438 17867
529 1 3 . 1 1 111 111 MET N N 344 122.736 122.736 122.261 0.475 17867
530 1 3 . 1 1 111 111 MET HA H 344 4.170 4.170 4.259 -0.089 17867
531 1 3 . 1 1 111 111 MET C C 344 177.800 177.800 178.029 -0.229 17867
532 1 3 . 1 1 111 111 MET CA C 344 58.620 58.620 57.499 1.121 17867
533 1 3 . 1 1 111 111 MET CB C 344 32.780 32.780 32.440 0.341 17867
534 1 3 . 1 1 111 111 MET H H 344 7.984 7.984 7.779 0.205 17867
535 1 3 . 1 1 112 112 LEU N N 345 118.666 118.666 118.807 -0.141 17867
536 1 3 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.861 0.129 17867
537 1 3 . 1 1 112 112 LEU C C 345 179.400 179.400 178.748 0.652 17867
538 1 3 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.452 0.188 17867
539 1 3 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.273 -0.093 17867
540 1 3 . 1 1 112 112 LEU H H 345 8.340 8.340 8.507 -0.167 17867
541 1 3 . 1 1 113 113 LYS N N 346 119.190 119.190 120.885 -1.695 17867
542 1 3 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.018 0.022 17867
543 1 3 . 1 1 113 113 LYS C C 346 179.000 179.000 178.534 0.466 17867
544 1 3 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.154 -0.014 17867
545 1 3 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.251 0.089 17867
546 1 3 . 1 1 113 113 LYS H H 346 7.786 7.786 7.989 -0.203 17867
547 1 3 . 1 1 114 114 ARG N N 347 119.664 119.664 117.624 2.040 17867
548 1 3 . 1 1 114 114 ARG HA H 347 4.080 4.080 4.104 -0.024 17867
549 1 3 . 1 1 114 114 ARG C C 347 178.600 178.600 178.277 0.323 17867
550 1 3 . 1 1 114 114 ARG CA C 347 58.370 58.370 58.480 -0.110 17867
551 1 3 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.552 -0.431 17867
552 1 3 . 1 1 114 114 ARG H H 347 7.786 7.786 7.909 -0.123 17867
553 1 3 . 1 1 115 115 LEU N N 348 120.259 120.259 119.766 0.493 17867
554 1 3 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.134 -0.004 17867
555 1 3 . 1 1 115 115 LEU C C 348 178.500 178.500 177.971 0.529 17867
556 1 3 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.331 0.669 17867
557 1 3 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.297 -0.187 17867
558 1 3 . 1 1 115 115 LEU H H 348 8.199 8.199 7.667 0.532 17867
559 1 4 . 1 1 83 83 ASP N N 316 121.228 121.228 120.959 0.269 17867
560 1 4 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.536 0.014 17867
561 1 4 . 1 1 83 83 ASP C C 316 177.400 177.400 177.138 0.262 17867
562 1 4 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.544 1.226 17867
563 1 4 . 1 1 83 83 ASP CB C 316 41.030 41.030 42.258 -1.228 17867
564 1 4 . 1 1 83 83 ASP H H 316 8.199 8.199 8.136 0.063 17867
565 1 4 . 1 1 84 84 VAL N N 317 121.668 121.668 119.564 2.104 17867
566 1 4 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.548 -0.238 17867
567 1 4 . 1 1 84 84 VAL C C 317 175.800 175.800 177.703 -1.903 17867
568 1 4 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.655 -0.945 17867
569 1 4 . 1 1 84 84 VAL CB C 317 31.040 31.040 32.060 -1.020 17867
570 1 4 . 1 1 84 84 VAL H H 317 8.096 8.096 8.661 -0.565 17867
571 1 4 . 1 1 85 85 TRP N N 318 121.197 121.197 118.743 2.454 17867
572 1 4 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.324 -0.064 17867
573 1 4 . 1 1 85 85 TRP C C 318 177.500 177.500 177.042 0.458 17867
574 1 4 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.251 0.359 17867
575 1 4 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.351 0.469 17867
576 1 4 . 1 1 85 85 TRP H H 318 7.706 7.706 8.145 -0.439 17867
577 1 4 . 1 1 86 86 GLU N N 319 117.895 117.895 120.951 -3.056 17867
578 1 4 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.786 0.264 17867
579 1 4 . 1 1 86 86 GLU C C 319 178.500 178.500 178.119 0.381 17867
580 1 4 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.389 -0.089 17867
581 1 4 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.585 0.675 17867
582 1 4 . 1 1 86 86 GLU H H 319 7.604 7.604 7.074 0.530 17867
583 1 4 . 1 1 87 87 ILE N N 320 119.002 119.002 119.902 -0.900 17867
584 1 4 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.753 -0.073 17867
585 1 4 . 1 1 87 87 ILE C C 320 179.300 179.300 178.313 0.987 17867
586 1 4 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.677 -0.327 17867
587 1 4 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.166 -0.226 17867
588 1 4 . 1 1 87 87 ILE H H 320 7.428 7.428 7.790 -0.362 17867
589 1 4 . 1 1 88 88 LEU N N 321 119.705 119.705 118.925 0.780 17867
590 1 4 . 1 1 88 88 LEU HA H 321 3.850 3.850 4.213 -0.363 17867
591 1 4 . 1 1 88 88 LEU C C 321 178.600 178.600 179.075 -0.475 17867
592 1 4 . 1 1 88 88 LEU CA C 321 57.590 57.590 56.632 0.958 17867
593 1 4 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.523 1.467 17867
594 1 4 . 1 1 88 88 LEU H H 321 8.231 8.231 8.179 0.052 17867
595 1 4 . 1 1 89 89 ARG N N 322 116.816 116.816 120.261 -3.445 17867
596 1 4 . 1 1 89 89 ARG HA H 322 3.790 3.790 3.987 -0.197 17867
597 1 4 . 1 1 89 89 ARG C C 322 177.500 177.500 177.663 -0.163 17867
598 1 4 . 1 1 89 89 ARG CA C 322 59.180 59.180 59.270 -0.090 17867
599 1 4 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.038 -0.108 17867
600 1 4 . 1 1 89 89 ARG H H 322 8.068 8.068 7.579 0.489 17867
601 1 4 . 1 1 90 90 GLN N N 323 114.097 114.097 116.204 -2.107 17867
602 1 4 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.498 -0.078 17867
603 1 4 . 1 1 90 90 GLN C C 323 175.300 175.300 175.614 -0.314 17867
604 1 4 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.424 -0.234 17867
605 1 4 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.753 0.127 17867
606 1 4 . 1 1 90 90 GLN H H 323 7.275 7.275 7.778 -0.503 17867
607 1 4 . 1 1 91 91 ALA N N 324 124.443 124.443 124.464 -0.021 17867
608 1 4 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.661 -0.001 17867
609 1 4 . 1 1 91 91 ALA C C 324 174.300 174.300 175.193 -0.893 17867
610 1 4 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.801 0.599 17867
611 1 4 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.677 0.253 17867
612 1 4 . 1 1 91 91 ALA H H 324 7.634 7.634 7.457 0.177 17867
613 1 4 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.663 1.157 17867
614 1 4 . 1 1 93 93 PRO C C 326 178.300 178.300 177.921 0.379 17867
615 1 4 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.889 -1.159 17867
616 1 4 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.404 0.386 17867
617 1 4 . 1 1 94 94 SER N N 327 111.738 111.738 111.097 0.641 17867
618 1 4 . 1 1 94 94 SER HA H 327 4.100 4.100 4.220 -0.120 17867
619 1 4 . 1 1 94 94 SER C C 327 175.800 175.800 175.675 0.125 17867
620 1 4 . 1 1 94 94 SER CA C 327 60.170 60.170 60.729 -0.559 17867
621 1 4 . 1 1 94 94 SER CB C 327 62.070 62.070 62.501 -0.430 17867
622 1 4 . 1 1 94 94 SER H H 327 7.938 7.938 8.134 -0.196 17867
623 1 4 . 1 1 95 95 GLU N N 328 119.807 119.807 120.151 -0.344 17867
624 1 4 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.504 0.026 17867
625 1 4 . 1 1 95 95 GLU C C 328 176.500 176.500 177.690 -1.190 17867
626 1 4 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.590 -0.030 17867
627 1 4 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.043 1.667 17867
628 1 4 . 1 1 95 95 GLU H H 328 8.201 8.201 7.866 0.335 17867
629 1 4 . 1 1 96 96 TYR N N 329 118.008 118.008 120.418 -2.410 17867
630 1 4 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.019 0.181 17867
631 1 4 . 1 1 96 96 TYR C C 329 177.300 177.300 177.848 -0.548 17867
632 1 4 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.463 -1.773 17867
633 1 4 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.620 -0.590 17867
634 1 4 . 1 1 96 96 TYR H H 329 7.458 7.458 7.307 0.151 17867
635 1 4 . 1 1 97 97 GLU N N 330 117.216 117.216 117.913 -0.697 17867
636 1 4 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.589 0.281 17867
637 1 4 . 1 1 97 97 GLU C C 330 178.500 178.500 178.454 0.046 17867
638 1 4 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.119 1.271 17867
639 1 4 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.814 0.086 17867
640 1 4 . 1 1 97 97 GLU H H 330 8.679 8.679 8.619 0.060 17867
641 1 4 . 1 1 98 98 ARG N N 331 121.169 121.169 119.061 2.108 17867
642 1 4 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.038 0.092 17867
643 1 4 . 1 1 98 98 ARG C C 331 178.900 178.900 179.143 -0.243 17867
644 1 4 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.940 0.421 17867
645 1 4 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.245 10.815 17867
646 1 4 . 1 1 98 98 ARG H H 331 8.201 8.201 7.788 0.413 17867
647 1 4 . 1 1 99 99 ILE N N 332 120.544 120.544 119.592 0.952 17867
648 1 4 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.798 0.032 17867
649 1 4 . 1 1 99 99 ILE C C 332 178.400 178.400 178.067 0.333 17867
650 1 4 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.219 0.701 17867
651 1 4 . 1 1 99 99 ILE CB C 332 38.310 38.310 38.083 0.227 17867
652 1 4 . 1 1 99 99 ILE H H 332 8.320 8.320 8.170 0.150 17867
653 1 4 . 1 1 100 100 ALA N N 333 122.141 122.141 123.927 -1.786 17867
654 1 4 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.194 -0.374 17867
655 1 4 . 1 1 100 100 ALA C C 333 179.500 179.500 179.607 -0.107 17867
656 1 4 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.204 0.436 17867
657 1 4 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.210 0.030 17867
658 1 4 . 1 1 100 100 ALA H H 333 8.709 8.709 7.842 0.867 17867
659 1 4 . 1 1 101 101 PHE N N 334 118.102 118.102 116.011 2.091 17867
660 1 4 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.354 -0.004 17867
661 1 4 . 1 1 101 101 PHE C C 334 179.400 179.400 177.993 1.407 17867
662 1 4 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.648 2.062 17867
663 1 4 . 1 1 101 101 PHE CB C 334 38.870 38.870 38.009 0.861 17867
664 1 4 . 1 1 101 101 PHE H H 334 8.275 8.275 8.164 0.111 17867
665 1 4 . 1 1 102 102 GLN N N 335 119.590 119.590 116.332 3.258 17867
666 1 4 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.089 -0.199 17867
667 1 4 . 1 1 102 102 GLN C C 335 176.900 176.900 176.993 -0.093 17867
668 1 4 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.591 0.539 17867
669 1 4 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.586 -0.186 17867
670 1 4 . 1 1 102 102 GLN H H 335 8.382 8.382 7.640 0.742 17867
671 1 4 . 1 1 103 103 HIS N N 336 114.779 114.779 115.556 -0.777 17867
672 1 4 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.762 -0.262 17867
673 1 4 . 1 1 103 103 HIS C C 336 174.800 174.800 175.321 -0.521 17867
674 1 4 . 1 1 103 103 HIS CA C 336 56.640 56.640 56.143 0.497 17867
675 1 4 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.038 0.302 17867
676 1 4 . 1 1 103 103 HIS H H 336 7.753 7.753 7.614 0.139 17867
677 1 4 . 1 1 104 104 GLY N N 337 108.669 108.669 108.754 -0.085 17867
678 1 4 . 1 1 104 104 GLY C C 337 174.400 174.400 173.985 0.415 17867
679 1 4 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.563 0.877 17867
680 1 4 . 1 1 104 104 GLY H H 337 7.698 7.698 7.711 -0.013 17867
681 1 4 . 1 1 105 105 VAL N N 338 120.862 120.862 121.693 -0.831 17867
682 1 4 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.372 -0.372 17867
683 1 4 . 1 1 105 105 VAL C C 338 175.900 175.900 175.824 0.076 17867
684 1 4 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.685 0.775 17867
685 1 4 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.747 -0.687 17867
686 1 4 . 1 1 105 105 VAL H H 338 8.216 8.216 8.152 0.064 17867
687 1 4 . 1 1 106 106 THR N N 339 117.786 117.786 116.754 1.032 17867
688 1 4 . 1 1 106 106 THR HA H 339 4.340 4.340 4.706 -0.366 17867
689 1 4 . 1 1 106 106 THR C C 339 174.800 174.800 174.704 0.096 17867
690 1 4 . 1 1 106 106 THR CA C 339 62.500 62.500 62.452 0.048 17867
691 1 4 . 1 1 106 106 THR CB C 339 69.300 69.300 69.630 -0.330 17867
692 1 4 . 1 1 106 106 THR H H 339 8.285 8.285 8.589 -0.304 17867
693 1 4 . 1 1 107 107 ASP N N 340 122.147 122.147 124.033 -1.886 17867
694 1 4 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.782 -0.502 17867
695 1 4 . 1 1 107 107 ASP C C 340 175.800 175.800 176.324 -0.524 17867
696 1 4 . 1 1 107 107 ASP CA C 340 52.440 52.440 53.007 -0.567 17867
697 1 4 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.908 0.112 17867
698 1 4 . 1 1 107 107 ASP H H 340 8.068 8.068 7.984 0.084 17867
699 1 4 . 1 1 108 108 LEU N N 341 125.614 125.614 126.346 -0.732 17867
700 1 4 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.097 -0.137 17867
701 1 4 . 1 1 108 108 LEU C C 341 178.200 178.200 177.841 0.359 17867
702 1 4 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.158 0.382 17867
703 1 4 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.287 -0.567 17867
704 1 4 . 1 1 108 108 LEU H H 341 8.520 8.520 7.822 0.698 17867
705 1 4 . 1 1 109 109 ARG N N 342 118.141 118.141 118.891 -0.750 17867
706 1 4 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.950 -0.020 17867
707 1 4 . 1 1 109 109 ARG C C 342 179.500 179.500 178.779 0.721 17867
708 1 4 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.557 0.003 17867
709 1 4 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.557 -0.007 17867
710 1 4 . 1 1 109 109 ARG H H 342 8.501 8.501 8.450 0.051 17867
711 1 4 . 1 1 110 110 GLY N N 343 108.347 108.347 107.899 0.448 17867
712 1 4 . 1 1 110 110 GLY C C 343 176.300 176.300 176.327 -0.027 17867
713 1 4 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.939 0.001 17867
714 1 4 . 1 1 110 110 GLY H H 343 8.353 8.353 8.842 -0.489 17867
715 1 4 . 1 1 111 111 MET N N 344 122.736 122.736 121.159 1.577 17867
716 1 4 . 1 1 111 111 MET HA H 344 4.170 4.170 4.288 -0.118 17867
717 1 4 . 1 1 111 111 MET C C 344 177.800 177.800 178.625 -0.825 17867
718 1 4 . 1 1 111 111 MET CA C 344 58.620 58.620 57.139 1.481 17867
719 1 4 . 1 1 111 111 MET CB C 344 32.780 32.780 31.835 0.944 17867
720 1 4 . 1 1 111 111 MET H H 344 7.984 7.984 7.600 0.384 17867
721 1 4 . 1 1 112 112 LEU N N 345 118.666 118.666 119.152 -0.486 17867
722 1 4 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.919 0.071 17867
723 1 4 . 1 1 112 112 LEU C C 345 179.400 179.400 178.985 0.415 17867
724 1 4 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.455 0.185 17867
725 1 4 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.940 0.240 17867
726 1 4 . 1 1 112 112 LEU H H 345 8.340 8.340 8.575 -0.235 17867
727 1 4 . 1 1 113 113 LYS N N 346 119.190 119.190 120.128 -0.938 17867
728 1 4 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.987 0.053 17867
729 1 4 . 1 1 113 113 LYS C C 346 179.000 179.000 178.393 0.607 17867
730 1 4 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.143 -0.003 17867
731 1 4 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.164 0.176 17867
732 1 4 . 1 1 113 113 LYS H H 346 7.786 7.786 8.154 -0.368 17867
733 1 4 . 1 1 114 114 ARG N N 347 119.664 119.664 117.620 2.044 17867
734 1 4 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.726 0.354 17867
735 1 4 . 1 1 114 114 ARG C C 347 178.600 178.600 177.403 1.197 17867
736 1 4 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.780 0.590 17867
737 1 4 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.718 0.402 17867
738 1 4 . 1 1 114 114 ARG H H 347 7.786 7.786 7.582 0.204 17867
739 1 4 . 1 1 115 115 LEU N N 348 120.259 120.259 120.520 -0.261 17867
740 1 4 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.258 -0.129 17867
741 1 4 . 1 1 115 115 LEU C C 348 178.500 178.500 177.108 1.392 17867
742 1 4 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.747 0.253 17867
743 1 4 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.725 -0.615 17867
744 1 4 . 1 1 115 115 LEU H H 348 8.199 8.199 7.609 0.590 17867
745 1 5 . 1 1 83 83 ASP N N 316 121.228 121.228 120.719 0.509 17867
746 1 5 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.555 -0.005 17867
747 1 5 . 1 1 83 83 ASP C C 316 177.400 177.400 177.212 0.188 17867
748 1 5 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.375 1.395 17867
749 1 5 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.718 -0.688 17867
750 1 5 . 1 1 83 83 ASP H H 316 8.199 8.199 8.775 -0.576 17867
751 1 5 . 1 1 84 84 VAL N N 317 121.668 121.668 120.392 1.276 17867
752 1 5 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.497 -0.187 17867
753 1 5 . 1 1 84 84 VAL C C 317 175.800 175.800 177.541 -1.741 17867
754 1 5 . 1 1 84 84 VAL CA C 317 64.710 64.710 66.399 -1.689 17867
755 1 5 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.844 -0.804 17867
756 1 5 . 1 1 84 84 VAL H H 317 8.096 8.096 8.581 -0.485 17867
757 1 5 . 1 1 85 85 TRP N N 318 121.197 121.197 118.763 2.434 17867
758 1 5 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.103 0.157 17867
759 1 5 . 1 1 85 85 TRP C C 318 177.500 177.500 177.458 0.042 17867
760 1 5 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.858 -0.248 17867
761 1 5 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.222 0.598 17867
762 1 5 . 1 1 85 85 TRP H H 318 7.706 7.706 7.816 -0.110 17867
763 1 5 . 1 1 86 86 GLU N N 319 117.895 117.895 120.479 -2.584 17867
764 1 5 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.454 0.596 17867
765 1 5 . 1 1 86 86 GLU C C 319 178.500 178.500 178.802 -0.302 17867
766 1 5 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.278 0.022 17867
767 1 5 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.669 0.591 17867
768 1 5 . 1 1 86 86 GLU H H 319 7.604 7.604 6.975 0.629 17867
769 1 5 . 1 1 87 87 ILE N N 320 119.002 119.002 120.931 -1.929 17867
770 1 5 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.672 0.008 17867
771 1 5 . 1 1 87 87 ILE C C 320 179.300 179.300 177.785 1.515 17867
772 1 5 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.924 -0.574 17867
773 1 5 . 1 1 87 87 ILE CB C 320 37.940 37.940 37.910 0.029 17867
774 1 5 . 1 1 87 87 ILE H H 320 7.428 7.428 7.804 -0.376 17867
775 1 5 . 1 1 88 88 LEU N N 321 119.705 119.705 119.338 0.367 17867
776 1 5 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.970 -0.120 17867
777 1 5 . 1 1 88 88 LEU C C 321 178.600 178.600 178.212 0.388 17867
778 1 5 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.181 0.409 17867
779 1 5 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.285 1.705 17867
780 1 5 . 1 1 88 88 LEU H H 321 8.231 8.231 8.360 -0.129 17867
781 1 5 . 1 1 89 89 ARG N N 322 116.816 116.816 118.119 -1.303 17867
782 1 5 . 1 1 89 89 ARG HA H 322 3.790 3.790 3.995 -0.205 17867
783 1 5 . 1 1 89 89 ARG C C 322 177.500 177.500 177.752 -0.252 17867
784 1 5 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.856 0.324 17867
785 1 5 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.157 -0.227 17867
786 1 5 . 1 1 89 89 ARG H H 322 8.068 8.068 7.357 0.711 17867
787 1 5 . 1 1 90 90 GLN N N 323 114.097 114.097 115.653 -1.556 17867
788 1 5 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.396 0.024 17867
789 1 5 . 1 1 90 90 GLN C C 323 175.300 175.300 175.720 -0.420 17867
790 1 5 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.734 -0.544 17867
791 1 5 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.740 -0.860 17867
792 1 5 . 1 1 90 90 GLN H H 323 7.275 7.275 7.614 -0.339 17867
793 1 5 . 1 1 91 91 ALA N N 324 124.443 124.443 124.146 0.297 17867
794 1 5 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.638 0.022 17867
795 1 5 . 1 1 91 91 ALA C C 324 174.300 174.300 175.418 -1.118 17867
796 1 5 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.989 0.411 17867
797 1 5 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.992 -0.062 17867
798 1 5 . 1 1 91 91 ALA H H 324 7.634 7.634 7.817 -0.183 17867
799 1 5 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.632 1.188 17867
800 1 5 . 1 1 93 93 PRO C C 326 178.300 178.300 178.114 0.186 17867
801 1 5 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.837 -1.107 17867
802 1 5 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.410 0.380 17867
803 1 5 . 1 1 94 94 SER N N 327 111.738 111.738 110.943 0.795 17867
804 1 5 . 1 1 94 94 SER HA H 327 4.100 4.100 4.206 -0.106 17867
805 1 5 . 1 1 94 94 SER C C 327 175.800 175.800 175.591 0.209 17867
806 1 5 . 1 1 94 94 SER CA C 327 60.170 60.170 60.408 -0.239 17867
807 1 5 . 1 1 94 94 SER CB C 327 62.070 62.070 62.747 -0.677 17867
808 1 5 . 1 1 94 94 SER H H 327 7.938 7.938 8.093 -0.155 17867
809 1 5 . 1 1 95 95 GLU N N 328 119.807 119.807 119.506 0.301 17867
810 1 5 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.511 0.019 17867
811 1 5 . 1 1 95 95 GLU C C 328 176.500 176.500 176.794 -0.294 17867
812 1 5 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.457 0.103 17867
813 1 5 . 1 1 95 95 GLU CB C 328 30.710 30.710 30.014 0.696 17867
814 1 5 . 1 1 95 95 GLU H H 328 8.201 8.201 7.615 0.586 17867
815 1 5 . 1 1 96 96 TYR N N 329 118.008 118.008 120.325 -2.317 17867
816 1 5 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.025 0.175 17867
817 1 5 . 1 1 96 96 TYR C C 329 177.300 177.300 177.790 -0.490 17867
818 1 5 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.300 -1.610 17867
819 1 5 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.828 -0.798 17867
820 1 5 . 1 1 96 96 TYR H H 329 7.458 7.458 7.432 0.026 17867
821 1 5 . 1 1 97 97 GLU N N 330 117.216 117.216 118.176 -0.960 17867
822 1 5 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.619 0.251 17867
823 1 5 . 1 1 97 97 GLU C C 330 178.500 178.500 178.295 0.205 17867
824 1 5 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.710 0.680 17867
825 1 5 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.868 0.032 17867
826 1 5 . 1 1 97 97 GLU H H 330 8.679 8.679 8.676 0.003 17867
827 1 5 . 1 1 98 98 ARG N N 331 121.169 121.169 118.944 2.225 17867
828 1 5 . 1 1 98 98 ARG HA H 331 4.130 4.130 3.941 0.189 17867
829 1 5 . 1 1 98 98 ARG C C 331 178.900 178.900 179.008 -0.108 17867
830 1 5 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.981 0.379 17867
831 1 5 . 1 1 98 98 ARG CB C 331 41.060 41.060 29.948 11.112 17867
832 1 5 . 1 1 98 98 ARG H H 331 8.201 8.201 7.902 0.299 17867
833 1 5 . 1 1 99 99 ILE N N 332 120.544 120.544 119.585 0.959 17867
834 1 5 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.873 -0.043 17867
835 1 5 . 1 1 99 99 ILE C C 332 178.400 178.400 178.030 0.370 17867
836 1 5 . 1 1 99 99 ILE CA C 332 64.920 64.920 63.242 1.678 17867
837 1 5 . 1 1 99 99 ILE CB C 332 38.310 38.310 36.974 1.336 17867
838 1 5 . 1 1 99 99 ILE H H 332 8.320 8.320 8.180 0.140 17867
839 1 5 . 1 1 100 100 ALA N N 333 122.141 122.141 123.191 -1.050 17867
840 1 5 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.094 -0.274 17867
841 1 5 . 1 1 100 100 ALA C C 333 179.500 179.500 179.961 -0.461 17867
842 1 5 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.149 0.491 17867
843 1 5 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.376 -0.136 17867
844 1 5 . 1 1 100 100 ALA H H 333 8.709 8.709 7.862 0.847 17867
845 1 5 . 1 1 101 101 PHE N N 334 118.102 118.102 116.220 1.882 17867
846 1 5 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.277 0.073 17867
847 1 5 . 1 1 101 101 PHE C C 334 179.400 179.400 178.917 0.483 17867
848 1 5 . 1 1 101 101 PHE CA C 334 60.710 60.710 59.180 1.530 17867
849 1 5 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.930 0.940 17867
850 1 5 . 1 1 101 101 PHE H H 334 8.275 8.275 8.150 0.125 17867
851 1 5 . 1 1 102 102 GLN N N 335 119.590 119.590 117.606 1.984 17867
852 1 5 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.130 -0.240 17867
853 1 5 . 1 1 102 102 GLN C C 335 176.900 176.900 176.699 0.201 17867
854 1 5 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.126 0.004 17867
855 1 5 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.494 -0.094 17867
856 1 5 . 1 1 102 102 GLN H H 335 8.382 8.382 7.944 0.438 17867
857 1 5 . 1 1 103 103 HIS N N 336 114.779 114.779 114.915 -0.136 17867
858 1 5 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.725 -0.225 17867
859 1 5 . 1 1 103 103 HIS C C 336 174.800 174.800 175.173 -0.373 17867
860 1 5 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.405 1.235 17867
861 1 5 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.231 0.109 17867
862 1 5 . 1 1 103 103 HIS H H 336 7.753 7.753 7.606 0.147 17867
863 1 5 . 1 1 104 104 GLY N N 337 108.669 108.669 108.401 0.268 17867
864 1 5 . 1 1 104 104 GLY C C 337 174.400 174.400 174.507 -0.107 17867
865 1 5 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.573 0.867 17867
866 1 5 . 1 1 104 104 GLY H H 337 7.698 7.698 7.688 0.010 17867
867 1 5 . 1 1 105 105 VAL N N 338 120.862 120.862 121.592 -0.730 17867
868 1 5 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.205 -0.205 17867
869 1 5 . 1 1 105 105 VAL C C 338 175.900 175.900 175.832 0.068 17867
870 1 5 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.627 -0.167 17867
871 1 5 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.380 -0.320 17867
872 1 5 . 1 1 105 105 VAL H H 338 8.216 8.216 8.275 -0.059 17867
873 1 5 . 1 1 106 106 THR N N 339 117.786 117.786 116.907 0.879 17867
874 1 5 . 1 1 106 106 THR HA H 339 4.340 4.340 4.486 -0.146 17867
875 1 5 . 1 1 106 106 THR C C 339 174.800 174.800 175.002 -0.202 17867
876 1 5 . 1 1 106 106 THR CA C 339 62.500 62.500 62.823 -0.323 17867
877 1 5 . 1 1 106 106 THR CB C 339 69.300 69.300 69.673 -0.373 17867
878 1 5 . 1 1 106 106 THR H H 339 8.285 8.285 8.563 -0.278 17867
879 1 5 . 1 1 107 107 ASP N N 340 122.147 122.147 123.975 -1.828 17867
880 1 5 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.764 -0.484 17867
881 1 5 . 1 1 107 107 ASP C C 340 175.800 175.800 176.179 -0.379 17867
882 1 5 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.903 -0.463 17867
883 1 5 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.861 0.159 17867
884 1 5 . 1 1 107 107 ASP H H 340 8.068 8.068 8.010 0.058 17867
885 1 5 . 1 1 108 108 LEU N N 341 125.614 125.614 125.466 0.148 17867
886 1 5 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.068 -0.108 17867
887 1 5 . 1 1 108 108 LEU C C 341 178.200 178.200 177.812 0.388 17867
888 1 5 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.050 0.490 17867
889 1 5 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.300 -0.580 17867
890 1 5 . 1 1 108 108 LEU H H 341 8.520 8.520 7.771 0.749 17867
891 1 5 . 1 1 109 109 ARG N N 342 118.141 118.141 118.892 -0.751 17867
892 1 5 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.949 -0.019 17867
893 1 5 . 1 1 109 109 ARG C C 342 179.500 179.500 178.729 0.771 17867
894 1 5 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.607 -0.047 17867
895 1 5 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.537 0.013 17867
896 1 5 . 1 1 109 109 ARG H H 342 8.501 8.501 8.480 0.021 17867
897 1 5 . 1 1 110 110 GLY N N 343 108.347 108.347 107.489 0.858 17867
898 1 5 . 1 1 110 110 GLY C C 343 176.300 176.300 176.357 -0.057 17867
899 1 5 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.886 0.054 17867
900 1 5 . 1 1 110 110 GLY H H 343 8.353 8.353 8.811 -0.458 17867
901 1 5 . 1 1 111 111 MET N N 344 122.736 122.736 121.377 1.359 17867
902 1 5 . 1 1 111 111 MET HA H 344 4.170 4.170 4.250 -0.080 17867
903 1 5 . 1 1 111 111 MET C C 344 177.800 177.800 178.615 -0.815 17867
904 1 5 . 1 1 111 111 MET CA C 344 58.620 58.620 57.503 1.117 17867
905 1 5 . 1 1 111 111 MET CB C 344 32.780 32.780 31.757 1.023 17867
906 1 5 . 1 1 111 111 MET H H 344 7.984 7.984 7.544 0.440 17867
907 1 5 . 1 1 112 112 LEU N N 345 118.666 118.666 119.448 -0.782 17867
908 1 5 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.929 0.061 17867
909 1 5 . 1 1 112 112 LEU C C 345 179.400 179.400 179.093 0.307 17867
910 1 5 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.789 -0.149 17867
911 1 5 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.099 0.081 17867
912 1 5 . 1 1 112 112 LEU H H 345 8.340 8.340 8.239 0.101 17867
913 1 5 . 1 1 113 113 LYS N N 346 119.190 119.190 119.500 -0.310 17867
914 1 5 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.028 0.012 17867
915 1 5 . 1 1 113 113 LYS C C 346 179.000 179.000 178.311 0.689 17867
916 1 5 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.260 -0.120 17867
917 1 5 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.152 0.188 17867
918 1 5 . 1 1 113 113 LYS H H 346 7.786 7.786 8.165 -0.379 17867
919 1 5 . 1 1 114 114 ARG N N 347 119.664 119.664 119.016 0.648 17867
920 1 5 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.961 0.119 17867
921 1 5 . 1 1 114 114 ARG C C 347 178.600 178.600 177.873 0.727 17867
922 1 5 . 1 1 114 114 ARG CA C 347 58.370 58.370 58.302 0.068 17867
923 1 5 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.145 -0.025 17867
924 1 5 . 1 1 114 114 ARG H H 347 7.786 7.786 7.778 0.008 17867
925 1 5 . 1 1 115 115 LEU N N 348 120.259 120.259 120.607 -0.348 17867
926 1 5 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.456 -0.326 17867
927 1 5 . 1 1 115 115 LEU C C 348 178.500 178.500 177.246 1.254 17867
928 1 5 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.132 -0.132 17867
929 1 5 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.721 -0.611 17867
930 1 5 . 1 1 115 115 LEU H H 348 8.199 8.199 7.863 0.336 17867
931 1 6 . 1 1 83 83 ASP N N 316 121.228 121.228 120.862 0.366 17867
932 1 6 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.559 -0.009 17867
933 1 6 . 1 1 83 83 ASP C C 316 177.400 177.400 177.270 0.130 17867
934 1 6 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.062 1.708 17867
935 1 6 . 1 1 83 83 ASP CB C 316 41.030 41.030 42.453 -1.423 17867
936 1 6 . 1 1 83 83 ASP H H 316 8.199 8.199 8.703 -0.504 17867
937 1 6 . 1 1 84 84 VAL N N 317 121.668 121.668 119.685 1.983 17867
938 1 6 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.412 -0.102 17867
939 1 6 . 1 1 84 84 VAL C C 317 175.800 175.800 177.505 -1.705 17867
940 1 6 . 1 1 84 84 VAL CA C 317 64.710 64.710 66.072 -1.361 17867
941 1 6 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.820 -0.780 17867
942 1 6 . 1 1 84 84 VAL H H 317 8.096 8.096 8.625 -0.529 17867
943 1 6 . 1 1 85 85 TRP N N 318 121.197 121.197 118.300 2.897 17867
944 1 6 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.217 0.043 17867
945 1 6 . 1 1 85 85 TRP C C 318 177.500 177.500 177.160 0.340 17867
946 1 6 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.018 0.592 17867
947 1 6 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.432 0.388 17867
948 1 6 . 1 1 85 85 TRP H H 318 7.706 7.706 8.379 -0.673 17867
949 1 6 . 1 1 86 86 GLU N N 319 117.895 117.895 120.824 -2.929 17867
950 1 6 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.774 0.276 17867
951 1 6 . 1 1 86 86 GLU C C 319 178.500 178.500 177.892 0.608 17867
952 1 6 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.342 -0.042 17867
953 1 6 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.521 0.739 17867
954 1 6 . 1 1 86 86 GLU H H 319 7.604 7.604 7.126 0.478 17867
955 1 6 . 1 1 87 87 ILE N N 320 119.002 119.002 119.766 -0.764 17867
956 1 6 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.769 -0.089 17867
957 1 6 . 1 1 87 87 ILE C C 320 179.300 179.300 177.837 1.463 17867
958 1 6 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.974 -0.624 17867
959 1 6 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.394 -0.454 17867
960 1 6 . 1 1 87 87 ILE H H 320 7.428 7.428 7.710 -0.282 17867
961 1 6 . 1 1 88 88 LEU N N 321 119.705 119.705 119.629 0.076 17867
962 1 6 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.954 -0.104 17867
963 1 6 . 1 1 88 88 LEU C C 321 178.600 178.600 178.713 -0.113 17867
964 1 6 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.548 0.042 17867
965 1 6 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.728 1.262 17867
966 1 6 . 1 1 88 88 LEU H H 321 8.231 8.231 8.056 0.175 17867
967 1 6 . 1 1 89 89 ARG N N 322 116.816 116.816 118.315 -1.499 17867
968 1 6 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.044 -0.254 17867
969 1 6 . 1 1 89 89 ARG C C 322 177.500 177.500 177.696 -0.196 17867
970 1 6 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.960 0.220 17867
971 1 6 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.194 -0.264 17867
972 1 6 . 1 1 89 89 ARG H H 322 8.068 8.068 7.554 0.514 17867
973 1 6 . 1 1 90 90 GLN N N 323 114.097 114.097 115.585 -1.488 17867
974 1 6 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.423 -0.003 17867
975 1 6 . 1 1 90 90 GLN C C 323 175.300 175.300 176.375 -1.075 17867
976 1 6 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.872 -0.682 17867
977 1 6 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.207 -0.327 17867
978 1 6 . 1 1 90 90 GLN H H 323 7.275 7.275 7.601 -0.326 17867
979 1 6 . 1 1 91 91 ALA N N 324 124.443 124.443 125.624 -1.181 17867
980 1 6 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.422 0.238 17867
981 1 6 . 1 1 91 91 ALA C C 324 174.300 174.300 175.154 -0.854 17867
982 1 6 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.791 -0.391 17867
983 1 6 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.846 0.084 17867
984 1 6 . 1 1 91 91 ALA H H 324 7.634 7.634 7.932 -0.298 17867
985 1 6 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.685 1.135 17867
986 1 6 . 1 1 93 93 PRO C C 326 178.300 178.300 177.754 0.546 17867
987 1 6 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.717 -0.987 17867
988 1 6 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.433 0.357 17867
989 1 6 . 1 1 94 94 SER N N 327 111.738 111.738 113.203 -1.465 17867
990 1 6 . 1 1 94 94 SER HA H 327 4.100 4.100 4.276 -0.176 17867
991 1 6 . 1 1 94 94 SER C C 327 175.800 175.800 175.571 0.229 17867
992 1 6 . 1 1 94 94 SER CA C 327 60.170 60.170 60.357 -0.187 17867
993 1 6 . 1 1 94 94 SER CB C 327 62.070 62.070 62.632 -0.562 17867
994 1 6 . 1 1 94 94 SER H H 327 7.938 7.938 8.046 -0.108 17867
995 1 6 . 1 1 95 95 GLU N N 328 119.807 119.807 119.634 0.173 17867
996 1 6 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.509 0.021 17867
997 1 6 . 1 1 95 95 GLU C C 328 176.500 176.500 176.688 -0.188 17867
998 1 6 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.290 0.270 17867
999 1 6 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.198 1.512 17867
1000 1 6 . 1 1 95 95 GLU H H 328 8.201 8.201 7.646 0.555 17867
1001 1 6 . 1 1 96 96 TYR N N 329 118.008 118.008 119.979 -1.971 17867
1002 1 6 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.062 0.138 17867
1003 1 6 . 1 1 96 96 TYR C C 329 177.300 177.300 177.719 -0.419 17867
1004 1 6 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.755 -1.065 17867
1005 1 6 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.581 -0.551 17867
1006 1 6 . 1 1 96 96 TYR H H 329 7.458 7.458 7.265 0.193 17867
1007 1 6 . 1 1 97 97 GLU N N 330 117.216 117.216 118.751 -1.535 17867
1008 1 6 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.562 0.308 17867
1009 1 6 . 1 1 97 97 GLU C C 330 178.500 178.500 178.366 0.134 17867
1010 1 6 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.869 0.521 17867
1011 1 6 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.882 0.018 17867
1012 1 6 . 1 1 97 97 GLU H H 330 8.679 8.679 8.574 0.105 17867
1013 1 6 . 1 1 98 98 ARG N N 331 121.169 121.169 119.358 1.811 17867
1014 1 6 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.083 0.047 17867
1015 1 6 . 1 1 98 98 ARG C C 331 178.900 178.900 179.013 -0.113 17867
1016 1 6 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.912 0.448 17867
1017 1 6 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.006 11.054 17867
1018 1 6 . 1 1 98 98 ARG H H 331 8.201 8.201 7.279 0.922 17867
1019 1 6 . 1 1 99 99 ILE N N 332 120.544 120.544 119.921 0.623 17867
1020 1 6 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.866 -0.036 17867
1021 1 6 . 1 1 99 99 ILE C C 332 178.400 178.400 178.024 0.376 17867
1022 1 6 . 1 1 99 99 ILE CA C 332 64.920 64.920 63.445 1.475 17867
1023 1 6 . 1 1 99 99 ILE CB C 332 38.310 38.310 36.856 1.454 17867
1024 1 6 . 1 1 99 99 ILE H H 332 8.320 8.320 8.325 -0.005 17867
1025 1 6 . 1 1 100 100 ALA N N 333 122.141 122.141 123.370 -1.229 17867
1026 1 6 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.109 -0.289 17867
1027 1 6 . 1 1 100 100 ALA C C 333 179.500 179.500 179.961 -0.461 17867
1028 1 6 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.225 0.415 17867
1029 1 6 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.437 -0.197 17867
1030 1 6 . 1 1 100 100 ALA H H 333 8.709 8.709 7.817 0.892 17867
1031 1 6 . 1 1 101 101 PHE N N 334 118.102 118.102 116.883 1.219 17867
1032 1 6 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.336 0.014 17867
1033 1 6 . 1 1 101 101 PHE C C 334 179.400 179.400 178.357 1.043 17867
1034 1 6 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.871 1.839 17867
1035 1 6 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.957 0.913 17867
1036 1 6 . 1 1 101 101 PHE H H 334 8.275 8.275 8.047 0.228 17867
1037 1 6 . 1 1 102 102 GLN N N 335 119.590 119.590 118.234 1.356 17867
1038 1 6 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.113 -0.223 17867
1039 1 6 . 1 1 102 102 GLN C C 335 176.900 176.900 176.949 -0.049 17867
1040 1 6 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.854 0.276 17867
1041 1 6 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.425 -0.025 17867
1042 1 6 . 1 1 102 102 GLN H H 335 8.382 8.382 8.034 0.348 17867
1043 1 6 . 1 1 103 103 HIS N N 336 114.779 114.779 114.760 0.019 17867
1044 1 6 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.720 -0.220 17867
1045 1 6 . 1 1 103 103 HIS C C 336 174.800 174.800 175.324 -0.524 17867
1046 1 6 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.649 0.991 17867
1047 1 6 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.742 -0.402 17867
1048 1 6 . 1 1 103 103 HIS H H 336 7.753 7.753 7.639 0.114 17867
1049 1 6 . 1 1 104 104 GLY N N 337 108.669 108.669 108.583 0.086 17867
1050 1 6 . 1 1 104 104 GLY C C 337 174.400 174.400 174.400 0.000 17867
1051 1 6 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.382 1.058 17867
1052 1 6 . 1 1 104 104 GLY H H 337 7.698 7.698 8.015 -0.317 17867
1053 1 6 . 1 1 105 105 VAL N N 338 120.862 120.862 121.330 -0.468 17867
1054 1 6 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.092 -0.092 17867
1055 1 6 . 1 1 105 105 VAL C C 338 175.900 175.900 176.183 -0.283 17867
1056 1 6 . 1 1 105 105 VAL CA C 338 62.460 62.460 63.314 -0.854 17867
1057 1 6 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.174 -0.114 17867
1058 1 6 . 1 1 105 105 VAL H H 338 8.216 8.216 8.256 -0.040 17867
1059 1 6 . 1 1 106 106 THR N N 339 117.786 117.786 117.901 -0.115 17867
1060 1 6 . 1 1 106 106 THR HA H 339 4.340 4.340 4.441 -0.101 17867
1061 1 6 . 1 1 106 106 THR C C 339 174.800 174.800 175.697 -0.897 17867
1062 1 6 . 1 1 106 106 THR CA C 339 62.500 62.500 62.605 -0.105 17867
1063 1 6 . 1 1 106 106 THR CB C 339 69.300 69.300 69.373 -0.073 17867
1064 1 6 . 1 1 106 106 THR H H 339 8.285 8.285 8.521 -0.236 17867
1065 1 6 . 1 1 107 107 ASP N N 340 122.147 122.147 123.339 -1.192 17867
1066 1 6 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.882 -0.602 17867
1067 1 6 . 1 1 107 107 ASP C C 340 175.800 175.800 175.940 -0.140 17867
1068 1 6 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.116 0.324 17867
1069 1 6 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.652 0.368 17867
1070 1 6 . 1 1 107 107 ASP H H 340 8.068 8.068 8.442 -0.374 17867
1071 1 6 . 1 1 108 108 LEU N N 341 125.614 125.614 125.105 0.509 17867
1072 1 6 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.042 -0.082 17867
1073 1 6 . 1 1 108 108 LEU C C 341 178.200 178.200 177.867 0.333 17867
1074 1 6 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.387 0.153 17867
1075 1 6 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.346 -0.626 17867
1076 1 6 . 1 1 108 108 LEU H H 341 8.520 8.520 7.593 0.927 17867
1077 1 6 . 1 1 109 109 ARG N N 342 118.141 118.141 118.628 -0.487 17867
1078 1 6 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.996 -0.066 17867
1079 1 6 . 1 1 109 109 ARG C C 342 179.500 179.500 178.774 0.726 17867
1080 1 6 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.357 0.203 17867
1081 1 6 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.542 0.008 17867
1082 1 6 . 1 1 109 109 ARG H H 342 8.501 8.501 8.516 -0.015 17867
1083 1 6 . 1 1 110 110 GLY N N 343 108.347 108.347 108.368 -0.021 17867
1084 1 6 . 1 1 110 110 GLY C C 343 176.300 176.300 176.354 -0.054 17867
1085 1 6 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.975 -0.035 17867
1086 1 6 . 1 1 110 110 GLY H H 343 8.353 8.353 8.743 -0.390 17867
1087 1 6 . 1 1 111 111 MET N N 344 122.736 122.736 121.134 1.602 17867
1088 1 6 . 1 1 111 111 MET HA H 344 4.170 4.170 4.253 -0.083 17867
1089 1 6 . 1 1 111 111 MET C C 344 177.800 177.800 178.597 -0.797 17867
1090 1 6 . 1 1 111 111 MET CA C 344 58.620 58.620 57.290 1.330 17867
1091 1 6 . 1 1 111 111 MET CB C 344 32.780 32.780 31.794 0.986 17867
1092 1 6 . 1 1 111 111 MET H H 344 7.984 7.984 7.723 0.261 17867
1093 1 6 . 1 1 112 112 LEU N N 345 118.666 118.666 119.153 -0.487 17867
1094 1 6 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.948 0.042 17867
1095 1 6 . 1 1 112 112 LEU C C 345 179.400 179.400 179.025 0.375 17867
1096 1 6 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.413 0.227 17867
1097 1 6 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.925 0.255 17867
1098 1 6 . 1 1 112 112 LEU H H 345 8.340 8.340 8.270 0.070 17867
1099 1 6 . 1 1 113 113 LYS N N 346 119.190 119.190 120.086 -0.896 17867
1100 1 6 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.011 0.029 17867
1101 1 6 . 1 1 113 113 LYS C C 346 179.000 179.000 178.367 0.633 17867
1102 1 6 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.075 0.065 17867
1103 1 6 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.157 0.183 17867
1104 1 6 . 1 1 113 113 LYS H H 346 7.786 7.786 8.195 -0.409 17867
1105 1 6 . 1 1 114 114 ARG N N 347 119.664 119.664 118.070 1.594 17867
1106 1 6 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.732 0.348 17867
1107 1 6 . 1 1 114 114 ARG C C 347 178.600 178.600 177.536 1.064 17867
1108 1 6 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.933 0.437 17867
1109 1 6 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.868 0.252 17867
1110 1 6 . 1 1 114 114 ARG H H 347 7.786 7.786 7.619 0.167 17867
1111 1 6 . 1 1 115 115 LEU N N 348 120.259 120.259 120.669 -0.410 17867
1112 1 6 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.272 -0.142 17867
1113 1 6 . 1 1 115 115 LEU C C 348 178.500 178.500 177.256 1.244 17867
1114 1 6 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.624 0.376 17867
1115 1 6 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.555 -0.445 17867
1116 1 6 . 1 1 115 115 LEU H H 348 8.199 8.199 7.701 0.498 17867
1117 1 7 . 1 1 83 83 ASP N N 316 121.228 121.228 121.736 -0.508 17867
1118 1 7 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.648 -0.098 17867
1119 1 7 . 1 1 83 83 ASP C C 316 177.400 177.400 177.080 0.320 17867
1120 1 7 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.555 1.215 17867
1121 1 7 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.496 -0.466 17867
1122 1 7 . 1 1 83 83 ASP H H 316 8.199 8.199 8.752 -0.553 17867
1123 1 7 . 1 1 84 84 VAL N N 317 121.668 121.668 120.144 1.524 17867
1124 1 7 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.440 -0.130 17867
1125 1 7 . 1 1 84 84 VAL C C 317 175.800 175.800 177.797 -1.997 17867
1126 1 7 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.915 -1.206 17867
1127 1 7 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.918 -0.877 17867
1128 1 7 . 1 1 84 84 VAL H H 317 8.096 8.096 8.678 -0.582 17867
1129 1 7 . 1 1 85 85 TRP N N 318 121.197 121.197 118.981 2.216 17867
1130 1 7 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.205 0.055 17867
1131 1 7 . 1 1 85 85 TRP C C 318 177.500 177.500 177.118 0.382 17867
1132 1 7 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.500 0.110 17867
1133 1 7 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.379 0.441 17867
1134 1 7 . 1 1 85 85 TRP H H 318 7.706 7.706 7.931 -0.225 17867
1135 1 7 . 1 1 86 86 GLU N N 319 117.895 117.895 121.290 -3.395 17867
1136 1 7 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.543 0.507 17867
1137 1 7 . 1 1 86 86 GLU C C 319 178.500 178.500 178.159 0.341 17867
1138 1 7 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.664 -0.364 17867
1139 1 7 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.563 0.697 17867
1140 1 7 . 1 1 86 86 GLU H H 319 7.604 7.604 7.048 0.556 17867
1141 1 7 . 1 1 87 87 ILE N N 320 119.002 119.002 119.526 -0.524 17867
1142 1 7 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.685 -0.005 17867
1143 1 7 . 1 1 87 87 ILE C C 320 179.300 179.300 178.476 0.824 17867
1144 1 7 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.913 -0.563 17867
1145 1 7 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.168 -0.228 17867
1146 1 7 . 1 1 87 87 ILE H H 320 7.428 7.428 7.757 -0.329 17867
1147 1 7 . 1 1 88 88 LEU N N 321 119.705 119.705 119.423 0.282 17867
1148 1 7 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.960 -0.110 17867
1149 1 7 . 1 1 88 88 LEU C C 321 178.600 178.600 179.054 -0.454 17867
1150 1 7 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.286 0.304 17867
1151 1 7 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.852 1.138 17867
1152 1 7 . 1 1 88 88 LEU H H 321 8.231 8.231 8.237 -0.006 17867
1153 1 7 . 1 1 89 89 ARG N N 322 116.816 116.816 119.840 -3.024 17867
1154 1 7 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.074 -0.284 17867
1155 1 7 . 1 1 89 89 ARG C C 322 177.500 177.500 177.269 0.231 17867
1156 1 7 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.840 0.340 17867
1157 1 7 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.322 -0.392 17867
1158 1 7 . 1 1 89 89 ARG H H 322 8.068 8.068 7.798 0.270 17867
1159 1 7 . 1 1 90 90 GLN N N 323 114.097 114.097 116.198 -2.101 17867
1160 1 7 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.488 -0.068 17867
1161 1 7 . 1 1 90 90 GLN C C 323 175.300 175.300 175.266 0.034 17867
1162 1 7 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.437 -0.247 17867
1163 1 7 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.599 0.281 17867
1164 1 7 . 1 1 90 90 GLN H H 323 7.275 7.275 7.707 -0.432 17867
1165 1 7 . 1 1 91 91 ALA N N 324 124.443 124.443 123.633 0.810 17867
1166 1 7 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.904 -0.244 17867
1167 1 7 . 1 1 91 91 ALA C C 324 174.300 174.300 174.949 -0.649 17867
1168 1 7 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.546 0.854 17867
1169 1 7 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.402 -0.472 17867
1170 1 7 . 1 1 91 91 ALA H H 324 7.634 7.634 7.805 -0.171 17867
1171 1 7 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.370 1.450 17867
1172 1 7 . 1 1 93 93 PRO C C 326 178.300 178.300 177.925 0.375 17867
1173 1 7 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.690 -0.960 17867
1174 1 7 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.475 0.315 17867
1175 1 7 . 1 1 94 94 SER N N 327 111.738 111.738 110.469 1.269 17867
1176 1 7 . 1 1 94 94 SER HA H 327 4.100 4.100 4.189 -0.089 17867
1177 1 7 . 1 1 94 94 SER C C 327 175.800 175.800 175.588 0.212 17867
1178 1 7 . 1 1 94 94 SER CA C 327 60.170 60.170 60.277 -0.107 17867
1179 1 7 . 1 1 94 94 SER CB C 327 62.070 62.070 62.624 -0.554 17867
1180 1 7 . 1 1 94 94 SER H H 327 7.938 7.938 8.087 -0.149 17867
1181 1 7 . 1 1 95 95 GLU N N 328 119.807 119.807 119.730 0.077 17867
1182 1 7 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.489 0.041 17867
1183 1 7 . 1 1 95 95 GLU C C 328 176.500 176.500 177.655 -1.155 17867
1184 1 7 . 1 1 95 95 GLU CA C 328 55.560 55.560 56.076 -0.516 17867
1185 1 7 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.951 0.759 17867
1186 1 7 . 1 1 95 95 GLU H H 328 8.201 8.201 7.710 0.491 17867
1187 1 7 . 1 1 96 96 TYR N N 329 118.008 118.008 120.149 -2.141 17867
1188 1 7 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.097 0.103 17867
1189 1 7 . 1 1 96 96 TYR C C 329 177.300 177.300 177.621 -0.321 17867
1190 1 7 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.822 -1.132 17867
1191 1 7 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.775 -0.745 17867
1192 1 7 . 1 1 96 96 TYR H H 329 7.458 7.458 7.477 -0.019 17867
1193 1 7 . 1 1 97 97 GLU N N 330 117.216 117.216 119.275 -2.059 17867
1194 1 7 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.396 0.474 17867
1195 1 7 . 1 1 97 97 GLU C C 330 178.500 178.500 178.284 0.216 17867
1196 1 7 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.908 0.482 17867
1197 1 7 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.117 -0.217 17867
1198 1 7 . 1 1 97 97 GLU H H 330 8.679 8.679 8.628 0.051 17867
1199 1 7 . 1 1 98 98 ARG N N 331 121.169 121.169 118.459 2.710 17867
1200 1 7 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.026 0.104 17867
1201 1 7 . 1 1 98 98 ARG C C 331 178.900 178.900 179.273 -0.373 17867
1202 1 7 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.990 0.370 17867
1203 1 7 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.223 10.837 17867
1204 1 7 . 1 1 98 98 ARG H H 331 8.201 8.201 8.124 0.077 17867
1205 1 7 . 1 1 99 99 ILE N N 332 120.544 120.544 120.167 0.377 17867
1206 1 7 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.676 0.154 17867
1207 1 7 . 1 1 99 99 ILE C C 332 178.400 178.400 177.625 0.775 17867
1208 1 7 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.871 0.049 17867
1209 1 7 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.920 0.390 17867
1210 1 7 . 1 1 99 99 ILE H H 332 8.320 8.320 8.417 -0.097 17867
1211 1 7 . 1 1 100 100 ALA N N 333 122.141 122.141 123.092 -0.951 17867
1212 1 7 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.215 -0.395 17867
1213 1 7 . 1 1 100 100 ALA C C 333 179.500 179.500 179.919 -0.419 17867
1214 1 7 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.413 0.227 17867
1215 1 7 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.440 -0.200 17867
1216 1 7 . 1 1 100 100 ALA H H 333 8.709 8.709 8.063 0.646 17867
1217 1 7 . 1 1 101 101 PHE N N 334 118.102 118.102 117.397 0.705 17867
1218 1 7 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.774 -0.424 17867
1219 1 7 . 1 1 101 101 PHE C C 334 179.400 179.400 178.341 1.059 17867
1220 1 7 . 1 1 101 101 PHE CA C 334 60.710 60.710 57.815 2.895 17867
1221 1 7 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.878 0.992 17867
1222 1 7 . 1 1 101 101 PHE H H 334 8.275 8.275 8.100 0.175 17867
1223 1 7 . 1 1 102 102 GLN N N 335 119.590 119.590 118.234 1.356 17867
1224 1 7 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.063 -0.173 17867
1225 1 7 . 1 1 102 102 GLN C C 335 176.900 176.900 177.873 -0.973 17867
1226 1 7 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.986 0.144 17867
1227 1 7 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.340 0.060 17867
1228 1 7 . 1 1 102 102 GLN H H 335 8.382 8.382 7.752 0.630 17867
1229 1 7 . 1 1 103 103 HIS N N 336 114.779 114.779 114.647 0.132 17867
1230 1 7 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.658 -0.158 17867
1231 1 7 . 1 1 103 103 HIS C C 336 174.800 174.800 175.284 -0.484 17867
1232 1 7 . 1 1 103 103 HIS CA C 336 56.640 56.640 56.714 -0.074 17867
1233 1 7 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.273 0.067 17867
1234 1 7 . 1 1 103 103 HIS H H 336 7.753 7.753 7.688 0.065 17867
1235 1 7 . 1 1 104 104 GLY N N 337 108.669 108.669 107.672 0.997 17867
1236 1 7 . 1 1 104 104 GLY C C 337 174.400 174.400 174.039 0.361 17867
1237 1 7 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.110 1.330 17867
1238 1 7 . 1 1 104 104 GLY H H 337 7.698 7.698 7.756 -0.058 17867
1239 1 7 . 1 1 105 105 VAL N N 338 120.862 120.862 122.443 -1.581 17867
1240 1 7 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.178 -0.178 17867
1241 1 7 . 1 1 105 105 VAL C C 338 175.900 175.900 176.376 -0.476 17867
1242 1 7 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.464 -0.004 17867
1243 1 7 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.172 -0.112 17867
1244 1 7 . 1 1 105 105 VAL H H 338 8.216 8.216 8.212 0.004 17867
1245 1 7 . 1 1 106 106 THR N N 339 117.786 117.786 118.677 -0.891 17867
1246 1 7 . 1 1 106 106 THR HA H 339 4.340 4.340 4.094 0.246 17867
1247 1 7 . 1 1 106 106 THR C C 339 174.800 174.800 175.149 -0.349 17867
1248 1 7 . 1 1 106 106 THR CA C 339 62.500 62.500 62.841 -0.341 17867
1249 1 7 . 1 1 106 106 THR CB C 339 69.300 69.300 69.132 0.168 17867
1250 1 7 . 1 1 106 106 THR H H 339 8.285 8.285 8.732 -0.447 17867
1251 1 7 . 1 1 107 107 ASP N N 340 122.147 122.147 123.127 -0.980 17867
1252 1 7 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.932 -0.652 17867
1253 1 7 . 1 1 107 107 ASP C C 340 175.800 175.800 175.994 -0.194 17867
1254 1 7 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.103 0.337 17867
1255 1 7 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.130 -0.110 17867
1256 1 7 . 1 1 107 107 ASP H H 340 8.068 8.068 8.263 -0.195 17867
1257 1 7 . 1 1 108 108 LEU N N 341 125.614 125.614 126.776 -1.162 17867
1258 1 7 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.147 -0.187 17867
1259 1 7 . 1 1 108 108 LEU C C 341 178.200 178.200 177.975 0.225 17867
1260 1 7 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.758 -0.218 17867
1261 1 7 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.437 -0.717 17867
1262 1 7 . 1 1 108 108 LEU H H 341 8.520 8.520 8.223 0.297 17867
1263 1 7 . 1 1 109 109 ARG N N 342 118.141 118.141 118.618 -0.477 17867
1264 1 7 . 1 1 109 109 ARG HA H 342 3.930 3.930 4.028 -0.098 17867
1265 1 7 . 1 1 109 109 ARG C C 342 179.500 179.500 178.893 0.607 17867
1266 1 7 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.416 0.145 17867
1267 1 7 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.714 -0.164 17867
1268 1 7 . 1 1 109 109 ARG H H 342 8.501 8.501 8.498 0.003 17867
1269 1 7 . 1 1 110 110 GLY N N 343 108.347 108.347 107.703 0.644 17867
1270 1 7 . 1 1 110 110 GLY C C 343 176.300 176.300 176.063 0.237 17867
1271 1 7 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.808 0.132 17867
1272 1 7 . 1 1 110 110 GLY H H 343 8.353 8.353 8.822 -0.469 17867
1273 1 7 . 1 1 111 111 MET N N 344 122.736 122.736 121.835 0.901 17867
1274 1 7 . 1 1 111 111 MET HA H 344 4.170 4.170 4.354 -0.184 17867
1275 1 7 . 1 1 111 111 MET C C 344 177.800 177.800 178.009 -0.209 17867
1276 1 7 . 1 1 111 111 MET CA C 344 58.620 58.620 56.967 1.653 17867
1277 1 7 . 1 1 111 111 MET CB C 344 32.780 32.780 32.518 0.262 17867
1278 1 7 . 1 1 111 111 MET H H 344 7.984 7.984 7.884 0.100 17867
1279 1 7 . 1 1 112 112 LEU N N 345 118.666 118.666 119.346 -0.680 17867
1280 1 7 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.954 0.036 17867
1281 1 7 . 1 1 112 112 LEU C C 345 179.400 179.400 178.692 0.708 17867
1282 1 7 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.147 0.493 17867
1283 1 7 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.159 0.021 17867
1284 1 7 . 1 1 112 112 LEU H H 345 8.340 8.340 8.355 -0.015 17867
1285 1 7 . 1 1 113 113 LYS N N 346 119.190 119.190 120.197 -1.007 17867
1286 1 7 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.022 0.018 17867
1287 1 7 . 1 1 113 113 LYS C C 346 179.000 179.000 178.367 0.633 17867
1288 1 7 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.103 0.037 17867
1289 1 7 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.151 0.189 17867
1290 1 7 . 1 1 113 113 LYS H H 346 7.786 7.786 8.244 -0.458 17867
1291 1 7 . 1 1 114 114 ARG N N 347 119.664 119.664 117.779 1.885 17867
1292 1 7 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.805 0.275 17867
1293 1 7 . 1 1 114 114 ARG C C 347 178.600 178.600 177.409 1.191 17867
1294 1 7 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.927 0.443 17867
1295 1 7 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.087 0.033 17867
1296 1 7 . 1 1 114 114 ARG H H 347 7.786 7.786 7.628 0.158 17867
1297 1 7 . 1 1 115 115 LEU N N 348 120.259 120.259 118.970 1.289 17867
1298 1 7 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.157 -0.027 17867
1299 1 7 . 1 1 115 115 LEU C C 348 178.500 178.500 176.821 1.679 17867
1300 1 7 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.208 -0.208 17867
1301 1 7 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.361 -0.251 17867
1302 1 7 . 1 1 115 115 LEU H H 348 8.199 8.199 7.634 0.565 17867
1303 1 8 . 1 1 83 83 ASP N N 316 121.228 121.228 120.878 0.350 17867
1304 1 8 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.889 -0.339 17867
1305 1 8 . 1 1 83 83 ASP C C 316 177.400 177.400 177.495 -0.095 17867
1306 1 8 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.122 1.648 17867
1307 1 8 . 1 1 83 83 ASP CB C 316 41.030 41.030 42.736 -1.706 17867
1308 1 8 . 1 1 83 83 ASP H H 316 8.199 8.199 9.036 -0.837 17867
1309 1 8 . 1 1 84 84 VAL N N 317 121.668 121.668 120.490 1.178 17867
1310 1 8 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.210 0.100 17867
1311 1 8 . 1 1 84 84 VAL C C 317 175.800 175.800 176.548 -0.748 17867
1312 1 8 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.341 -0.631 17867
1313 1 8 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.848 -0.808 17867
1314 1 8 . 1 1 84 84 VAL H H 317 8.096 8.096 8.292 -0.196 17867
1315 1 8 . 1 1 85 85 TRP N N 318 121.197 121.197 120.177 1.020 17867
1316 1 8 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.271 -0.011 17867
1317 1 8 . 1 1 85 85 TRP C C 318 177.500 177.500 176.552 0.948 17867
1318 1 8 . 1 1 85 85 TRP CA C 318 59.610 59.610 60.466 -0.856 17867
1319 1 8 . 1 1 85 85 TRP CB C 318 28.820 28.820 29.201 -0.382 17867
1320 1 8 . 1 1 85 85 TRP H H 318 7.706 7.706 8.130 -0.424 17867
1321 1 8 . 1 1 86 86 GLU N N 319 117.895 117.895 118.250 -0.355 17867
1322 1 8 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.763 0.287 17867
1323 1 8 . 1 1 86 86 GLU C C 319 178.500 178.500 178.289 0.211 17867
1324 1 8 . 1 1 86 86 GLU CA C 319 58.300 58.300 59.241 -0.941 17867
1325 1 8 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.915 0.345 17867
1326 1 8 . 1 1 86 86 GLU H H 319 7.604 7.604 8.139 -0.535 17867
1327 1 8 . 1 1 87 87 ILE N N 320 119.002 119.002 118.206 0.796 17867
1328 1 8 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.921 -0.241 17867
1329 1 8 . 1 1 87 87 ILE C C 320 179.300 179.300 177.792 1.508 17867
1330 1 8 . 1 1 87 87 ILE CA C 320 64.350 64.350 62.488 1.862 17867
1331 1 8 . 1 1 87 87 ILE CB C 320 37.940 37.940 37.739 0.201 17867
1332 1 8 . 1 1 87 87 ILE H H 320 7.428 7.428 7.993 -0.565 17867
1333 1 8 . 1 1 88 88 LEU N N 321 119.705 119.705 120.674 -0.969 17867
1334 1 8 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.977 -0.127 17867
1335 1 8 . 1 1 88 88 LEU C C 321 178.600 178.600 179.244 -0.644 17867
1336 1 8 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.731 -0.141 17867
1337 1 8 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.525 1.466 17867
1338 1 8 . 1 1 88 88 LEU H H 321 8.231 8.231 7.686 0.545 17867
1339 1 8 . 1 1 89 89 ARG N N 322 116.816 116.816 118.154 -1.338 17867
1340 1 8 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.080 -0.290 17867
1341 1 8 . 1 1 89 89 ARG C C 322 177.500 177.500 178.006 -0.506 17867
1342 1 8 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.916 0.264 17867
1343 1 8 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.075 -0.145 17867
1344 1 8 . 1 1 89 89 ARG H H 322 8.068 8.068 8.022 0.046 17867
1345 1 8 . 1 1 90 90 GLN N N 323 114.097 114.097 114.942 -0.845 17867
1346 1 8 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.444 -0.024 17867
1347 1 8 . 1 1 90 90 GLN C C 323 175.300 175.300 175.781 -0.481 17867
1348 1 8 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.448 -0.258 17867
1349 1 8 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.425 -0.545 17867
1350 1 8 . 1 1 90 90 GLN H H 323 7.275 7.275 7.675 -0.400 17867
1351 1 8 . 1 1 91 91 ALA N N 324 124.443 124.443 125.226 -0.783 17867
1352 1 8 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.788 -0.128 17867
1353 1 8 . 1 1 91 91 ALA C C 324 174.300 174.300 175.203 -0.903 17867
1354 1 8 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.928 0.472 17867
1355 1 8 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.088 -0.158 17867
1356 1 8 . 1 1 91 91 ALA H H 324 7.634 7.634 7.793 -0.159 17867
1357 1 8 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.411 1.409 17867
1358 1 8 . 1 1 93 93 PRO C C 326 178.300 178.300 177.823 0.477 17867
1359 1 8 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.336 -0.606 17867
1360 1 8 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.293 0.497 17867
1361 1 8 . 1 1 94 94 SER N N 327 111.738 111.738 114.334 -2.596 17867
1362 1 8 . 1 1 94 94 SER HA H 327 4.100 4.100 4.221 -0.121 17867
1363 1 8 . 1 1 94 94 SER C C 327 175.800 175.800 175.657 0.143 17867
1364 1 8 . 1 1 94 94 SER CA C 327 60.170 60.170 60.448 -0.278 17867
1365 1 8 . 1 1 94 94 SER CB C 327 62.070 62.070 62.656 -0.586 17867
1366 1 8 . 1 1 94 94 SER H H 327 7.938 7.938 7.947 -0.009 17867
1367 1 8 . 1 1 95 95 GLU N N 328 119.807 119.807 118.933 0.874 17867
1368 1 8 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.608 -0.078 17867
1369 1 8 . 1 1 95 95 GLU C C 328 176.500 176.500 177.306 -0.806 17867
1370 1 8 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.521 0.039 17867
1371 1 8 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.706 1.004 17867
1372 1 8 . 1 1 95 95 GLU H H 328 8.201 8.201 7.563 0.638 17867
1373 1 8 . 1 1 96 96 TYR N N 329 118.008 118.008 120.387 -2.379 17867
1374 1 8 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.096 0.104 17867
1375 1 8 . 1 1 96 96 TYR C C 329 177.300 177.300 177.573 -0.273 17867
1376 1 8 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.752 -1.062 17867
1377 1 8 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.602 -0.572 17867
1378 1 8 . 1 1 96 96 TYR H H 329 7.458 7.458 7.302 0.156 17867
1379 1 8 . 1 1 97 97 GLU N N 330 117.216 117.216 119.231 -2.015 17867
1380 1 8 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.622 0.248 17867
1381 1 8 . 1 1 97 97 GLU C C 330 178.500 178.500 178.220 0.280 17867
1382 1 8 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.856 0.534 17867
1383 1 8 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.243 -0.343 17867
1384 1 8 . 1 1 97 97 GLU H H 330 8.679 8.679 8.592 0.087 17867
1385 1 8 . 1 1 98 98 ARG N N 331 121.169 121.169 118.505 2.664 17867
1386 1 8 . 1 1 98 98 ARG HA H 331 4.130 4.130 3.942 0.188 17867
1387 1 8 . 1 1 98 98 ARG C C 331 178.900 178.900 179.146 -0.246 17867
1388 1 8 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.819 0.541 17867
1389 1 8 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.209 10.851 17867
1390 1 8 . 1 1 98 98 ARG H H 331 8.201 8.201 8.065 0.136 17867
1391 1 8 . 1 1 99 99 ILE N N 332 120.544 120.544 120.256 0.288 17867
1392 1 8 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.777 0.053 17867
1393 1 8 . 1 1 99 99 ILE C C 332 178.400 178.400 177.833 0.567 17867
1394 1 8 . 1 1 99 99 ILE CA C 332 64.920 64.920 65.149 -0.229 17867
1395 1 8 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.945 0.365 17867
1396 1 8 . 1 1 99 99 ILE H H 332 8.320 8.320 8.387 -0.067 17867
1397 1 8 . 1 1 100 100 ALA N N 333 122.141 122.141 122.805 -0.664 17867
1398 1 8 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.079 -0.259 17867
1399 1 8 . 1 1 100 100 ALA C C 333 179.500 179.500 179.839 -0.339 17867
1400 1 8 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.206 0.434 17867
1401 1 8 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.305 -0.065 17867
1402 1 8 . 1 1 100 100 ALA H H 333 8.709 8.709 7.975 0.734 17867
1403 1 8 . 1 1 101 101 PHE N N 334 118.102 118.102 117.239 0.863 17867
1404 1 8 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.315 0.035 17867
1405 1 8 . 1 1 101 101 PHE C C 334 179.400 179.400 179.189 0.211 17867
1406 1 8 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.777 1.933 17867
1407 1 8 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.799 1.071 17867
1408 1 8 . 1 1 101 101 PHE H H 334 8.275 8.275 7.639 0.636 17867
1409 1 8 . 1 1 102 102 GLN N N 335 119.590 119.590 117.925 1.665 17867
1410 1 8 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.131 -0.241 17867
1411 1 8 . 1 1 102 102 GLN C C 335 176.900 176.900 176.834 0.066 17867
1412 1 8 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.190 -0.060 17867
1413 1 8 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.587 -0.187 17867
1414 1 8 . 1 1 102 102 GLN H H 335 8.382 8.382 8.121 0.261 17867
1415 1 8 . 1 1 103 103 HIS N N 336 114.779 114.779 115.892 -1.113 17867
1416 1 8 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.657 -0.157 17867
1417 1 8 . 1 1 103 103 HIS C C 336 174.800 174.800 175.686 -0.886 17867
1418 1 8 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.871 0.769 17867
1419 1 8 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.377 -0.037 17867
1420 1 8 . 1 1 103 103 HIS H H 336 7.753 7.753 7.638 0.115 17867
1421 1 8 . 1 1 104 104 GLY N N 337 108.669 108.669 108.294 0.375 17867
1422 1 8 . 1 1 104 104 GLY C C 337 174.400 174.400 174.476 -0.076 17867
1423 1 8 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.612 0.827 17867
1424 1 8 . 1 1 104 104 GLY H H 337 7.698 7.698 7.743 -0.045 17867
1425 1 8 . 1 1 105 105 VAL N N 338 120.862 120.862 120.597 0.265 17867
1426 1 8 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.286 -0.286 17867
1427 1 8 . 1 1 105 105 VAL C C 338 175.900 175.900 175.815 0.085 17867
1428 1 8 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.175 0.285 17867
1429 1 8 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.054 0.006 17867
1430 1 8 . 1 1 105 105 VAL H H 338 8.216 8.216 8.223 -0.007 17867
1431 1 8 . 1 1 106 106 THR N N 339 117.786 117.786 117.719 0.067 17867
1432 1 8 . 1 1 106 106 THR HA H 339 4.340 4.340 4.471 -0.131 17867
1433 1 8 . 1 1 106 106 THR C C 339 174.800 174.800 174.691 0.109 17867
1434 1 8 . 1 1 106 106 THR CA C 339 62.500 62.500 62.675 -0.175 17867
1435 1 8 . 1 1 106 106 THR CB C 339 69.300 69.300 69.588 -0.288 17867
1436 1 8 . 1 1 106 106 THR H H 339 8.285 8.285 8.479 -0.194 17867
1437 1 8 . 1 1 107 107 ASP N N 340 122.147 122.147 123.441 -1.294 17867
1438 1 8 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.842 -0.562 17867
1439 1 8 . 1 1 107 107 ASP C C 340 175.800 175.800 175.659 0.141 17867
1440 1 8 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.672 -0.232 17867
1441 1 8 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.770 -0.750 17867
1442 1 8 . 1 1 107 107 ASP H H 340 8.068 8.068 7.873 0.195 17867
1443 1 8 . 1 1 108 108 LEU N N 341 125.614 125.614 125.228 0.386 17867
1444 1 8 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.090 -0.130 17867
1445 1 8 . 1 1 108 108 LEU C C 341 178.200 178.200 177.870 0.330 17867
1446 1 8 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.108 0.432 17867
1447 1 8 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.336 -0.616 17867
1448 1 8 . 1 1 108 108 LEU H H 341 8.520 8.520 8.503 0.017 17867
1449 1 8 . 1 1 109 109 ARG N N 342 118.141 118.141 118.997 -0.856 17867
1450 1 8 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.904 0.026 17867
1451 1 8 . 1 1 109 109 ARG C C 342 179.500 179.500 178.743 0.757 17867
1452 1 8 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.692 -0.132 17867
1453 1 8 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.697 -0.147 17867
1454 1 8 . 1 1 109 109 ARG H H 342 8.501 8.501 8.186 0.315 17867
1455 1 8 . 1 1 110 110 GLY N N 343 108.347 108.347 106.996 1.351 17867
1456 1 8 . 1 1 110 110 GLY C C 343 176.300 176.300 175.990 0.310 17867
1457 1 8 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.551 0.389 17867
1458 1 8 . 1 1 110 110 GLY H H 343 8.353 8.353 8.745 -0.392 17867
1459 1 8 . 1 1 111 111 MET N N 344 122.736 122.736 122.306 0.430 17867
1460 1 8 . 1 1 111 111 MET HA H 344 4.170 4.170 4.204 -0.034 17867
1461 1 8 . 1 1 111 111 MET C C 344 177.800 177.800 177.876 -0.076 17867
1462 1 8 . 1 1 111 111 MET CA C 344 58.620 58.620 57.621 0.999 17867
1463 1 8 . 1 1 111 111 MET CB C 344 32.780 32.780 32.406 0.374 17867
1464 1 8 . 1 1 111 111 MET H H 344 7.984 7.984 7.999 -0.015 17867
1465 1 8 . 1 1 112 112 LEU N N 345 118.666 118.666 119.048 -0.382 17867
1466 1 8 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.594 0.396 17867
1467 1 8 . 1 1 112 112 LEU C C 345 179.400 179.400 178.706 0.694 17867
1468 1 8 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.361 0.279 17867
1469 1 8 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.052 0.128 17867
1470 1 8 . 1 1 112 112 LEU H H 345 8.340 8.340 8.460 -0.120 17867
1471 1 8 . 1 1 113 113 LYS N N 346 119.190 119.190 119.429 -0.239 17867
1472 1 8 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.867 0.173 17867
1473 1 8 . 1 1 113 113 LYS C C 346 179.000 179.000 178.359 0.641 17867
1474 1 8 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.177 -0.037 17867
1475 1 8 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.117 0.223 17867
1476 1 8 . 1 1 113 113 LYS H H 346 7.786 7.786 7.810 -0.024 17867
1477 1 8 . 1 1 114 114 ARG N N 347 119.664 119.664 119.521 0.143 17867
1478 1 8 . 1 1 114 114 ARG HA H 347 4.080 4.080 4.138 -0.058 17867
1479 1 8 . 1 1 114 114 ARG C C 347 178.600 178.600 177.936 0.664 17867
1480 1 8 . 1 1 114 114 ARG CA C 347 58.370 58.370 58.225 0.145 17867
1481 1 8 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.276 -0.156 17867
1482 1 8 . 1 1 114 114 ARG H H 347 7.786 7.786 7.723 0.063 17867
1483 1 8 . 1 1 115 115 LEU N N 348 120.259 120.259 118.591 1.668 17867
1484 1 8 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.225 -0.095 17867
1485 1 8 . 1 1 115 115 LEU C C 348 178.500 178.500 177.899 0.601 17867
1486 1 8 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.420 0.580 17867
1487 1 8 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.208 -0.098 17867
1488 1 8 . 1 1 115 115 LEU H H 348 8.199 8.199 7.990 0.209 17867
1489 1 9 . 1 1 83 83 ASP N N 316 121.228 121.228 120.119 1.109 17867
1490 1 9 . 1 1 83 83 ASP HA H 316 4.550 4.550 5.104 -0.554 17867
1491 1 9 . 1 1 83 83 ASP C C 316 177.400 177.400 177.326 0.074 17867
1492 1 9 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.634 1.136 17867
1493 1 9 . 1 1 83 83 ASP CB C 316 41.030 41.030 40.785 0.245 17867
1494 1 9 . 1 1 83 83 ASP H H 316 8.199 8.199 8.189 0.010 17867
1495 1 9 . 1 1 84 84 VAL N N 317 121.668 121.668 116.645 5.023 17867
1496 1 9 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.725 -0.415 17867
1497 1 9 . 1 1 84 84 VAL C C 317 175.800 175.800 176.748 -0.948 17867
1498 1 9 . 1 1 84 84 VAL CA C 317 64.710 64.710 64.213 0.497 17867
1499 1 9 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.311 -0.271 17867
1500 1 9 . 1 1 84 84 VAL H H 317 8.096 8.096 8.095 0.001 17867
1501 1 9 . 1 1 85 85 TRP N N 318 121.197 121.197 120.141 1.056 17867
1502 1 9 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.220 0.040 17867
1503 1 9 . 1 1 85 85 TRP C C 318 177.500 177.500 177.168 0.332 17867
1504 1 9 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.057 0.553 17867
1505 1 9 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.239 0.581 17867
1506 1 9 . 1 1 85 85 TRP H H 318 7.706 7.706 7.751 -0.045 17867
1507 1 9 . 1 1 86 86 GLU N N 319 117.895 117.895 119.275 -1.380 17867
1508 1 9 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.532 0.518 17867
1509 1 9 . 1 1 86 86 GLU C C 319 178.500 178.500 178.643 -0.143 17867
1510 1 9 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.446 -0.145 17867
1511 1 9 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.939 0.321 17867
1512 1 9 . 1 1 86 86 GLU H H 319 7.604 7.604 6.634 0.970 17867
1513 1 9 . 1 1 87 87 ILE N N 320 119.002 119.002 119.493 -0.491 17867
1514 1 9 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.760 -0.080 17867
1515 1 9 . 1 1 87 87 ILE C C 320 179.300 179.300 178.275 1.025 17867
1516 1 9 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.036 0.314 17867
1517 1 9 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.186 -0.246 17867
1518 1 9 . 1 1 87 87 ILE H H 320 7.428 7.428 7.539 -0.111 17867
1519 1 9 . 1 1 88 88 LEU N N 321 119.705 119.705 120.133 -0.428 17867
1520 1 9 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.983 -0.133 17867
1521 1 9 . 1 1 88 88 LEU C C 321 178.600 178.600 179.286 -0.686 17867
1522 1 9 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.694 -0.104 17867
1523 1 9 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.952 1.038 17867
1524 1 9 . 1 1 88 88 LEU H H 321 8.231 8.231 8.342 -0.111 17867
1525 1 9 . 1 1 89 89 ARG N N 322 116.816 116.816 119.224 -2.408 17867
1526 1 9 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.095 -0.305 17867
1527 1 9 . 1 1 89 89 ARG C C 322 177.500 177.500 177.328 0.172 17867
1528 1 9 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.821 0.359 17867
1529 1 9 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.308 -0.378 17867
1530 1 9 . 1 1 89 89 ARG H H 322 8.068 8.068 7.619 0.449 17867
1531 1 9 . 1 1 90 90 GLN N N 323 114.097 114.097 116.389 -2.292 17867
1532 1 9 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.474 -0.054 17867
1533 1 9 . 1 1 90 90 GLN C C 323 175.300 175.300 174.924 0.376 17867
1534 1 9 . 1 1 90 90 GLN CA C 323 55.190 55.190 54.992 0.198 17867
1535 1 9 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.328 0.551 17867
1536 1 9 . 1 1 90 90 GLN H H 323 7.275 7.275 7.643 -0.368 17867
1537 1 9 . 1 1 91 91 ALA N N 324 124.443 124.443 123.901 0.542 17867
1538 1 9 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.860 -0.200 17867
1539 1 9 . 1 1 91 91 ALA C C 324 174.300 174.300 174.898 -0.598 17867
1540 1 9 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.564 0.836 17867
1541 1 9 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.759 -0.828 17867
1542 1 9 . 1 1 91 91 ALA H H 324 7.634 7.634 7.640 -0.006 17867
1543 1 9 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.493 1.327 17867
1544 1 9 . 1 1 93 93 PRO C C 326 178.300 178.300 177.877 0.423 17867
1545 1 9 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.825 -1.095 17867
1546 1 9 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.371 0.419 17867
1547 1 9 . 1 1 94 94 SER N N 327 111.738 111.738 111.205 0.533 17867
1548 1 9 . 1 1 94 94 SER HA H 327 4.100 4.100 4.232 -0.132 17867
1549 1 9 . 1 1 94 94 SER C C 327 175.800 175.800 175.658 0.142 17867
1550 1 9 . 1 1 94 94 SER CA C 327 60.170 60.170 60.607 -0.437 17867
1551 1 9 . 1 1 94 94 SER CB C 327 62.070 62.070 62.376 -0.306 17867
1552 1 9 . 1 1 94 94 SER H H 327 7.938 7.938 8.102 -0.164 17867
1553 1 9 . 1 1 95 95 GLU N N 328 119.807 119.807 119.619 0.188 17867
1554 1 9 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.592 -0.062 17867
1555 1 9 . 1 1 95 95 GLU C C 328 176.500 176.500 177.740 -1.240 17867
1556 1 9 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.815 -0.255 17867
1557 1 9 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.411 1.299 17867
1558 1 9 . 1 1 95 95 GLU H H 328 8.201 8.201 7.844 0.357 17867
1559 1 9 . 1 1 96 96 TYR N N 329 118.008 118.008 120.508 -2.500 17867
1560 1 9 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.186 0.014 17867
1561 1 9 . 1 1 96 96 TYR C C 329 177.300 177.300 178.263 -0.963 17867
1562 1 9 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.309 -1.619 17867
1563 1 9 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.441 -0.411 17867
1564 1 9 . 1 1 96 96 TYR H H 329 7.458 7.458 7.528 -0.070 17867
1565 1 9 . 1 1 97 97 GLU N N 330 117.216 117.216 118.251 -1.035 17867
1566 1 9 . 1 1 97 97 GLU HA H 330 3.870 3.870 4.087 -0.217 17867
1567 1 9 . 1 1 97 97 GLU C C 330 178.500 178.500 179.040 -0.540 17867
1568 1 9 . 1 1 97 97 GLU CA C 330 60.390 60.390 60.007 0.383 17867
1569 1 9 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.244 -0.344 17867
1570 1 9 . 1 1 97 97 GLU H H 330 8.679 8.679 8.814 -0.135 17867
1571 1 9 . 1 1 98 98 ARG N N 331 121.169 121.169 119.847 1.322 17867
1572 1 9 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.232 -0.102 17867
1573 1 9 . 1 1 98 98 ARG C C 331 178.900 178.900 179.208 -0.308 17867
1574 1 9 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.171 0.189 17867
1575 1 9 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.270 10.790 17867
1576 1 9 . 1 1 98 98 ARG H H 331 8.201 8.201 8.127 0.074 17867
1577 1 9 . 1 1 99 99 ILE N N 332 120.544 120.544 120.693 -0.149 17867
1578 1 9 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.842 -0.012 17867
1579 1 9 . 1 1 99 99 ILE C C 332 178.400 178.400 177.703 0.697 17867
1580 1 9 . 1 1 99 99 ILE CA C 332 64.920 64.920 65.169 -0.249 17867
1581 1 9 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.927 0.383 17867
1582 1 9 . 1 1 99 99 ILE H H 332 8.320 8.320 8.613 -0.293 17867
1583 1 9 . 1 1 100 100 ALA N N 333 122.141 122.141 122.882 -0.741 17867
1584 1 9 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.065 -0.245 17867
1585 1 9 . 1 1 100 100 ALA C C 333 179.500 179.500 179.436 0.064 17867
1586 1 9 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.341 0.299 17867
1587 1 9 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.352 -0.112 17867
1588 1 9 . 1 1 100 100 ALA H H 333 8.709 8.709 7.974 0.735 17867
1589 1 9 . 1 1 101 101 PHE N N 334 118.102 118.102 119.821 -1.719 17867
1590 1 9 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.130 0.220 17867
1591 1 9 . 1 1 101 101 PHE C C 334 179.400 179.400 178.402 0.998 17867
1592 1 9 . 1 1 101 101 PHE CA C 334 60.710 60.710 61.623 -0.913 17867
1593 1 9 . 1 1 101 101 PHE CB C 334 38.870 38.870 39.116 -0.246 17867
1594 1 9 . 1 1 101 101 PHE H H 334 8.275 8.275 8.455 -0.180 17867
1595 1 9 . 1 1 102 102 GLN N N 335 119.590 119.590 119.563 0.027 17867
1596 1 9 . 1 1 102 102 GLN HA H 335 3.890 3.890 3.965 -0.075 17867
1597 1 9 . 1 1 102 102 GLN C C 335 176.900 176.900 177.087 -0.187 17867
1598 1 9 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.161 -0.031 17867
1599 1 9 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.441 -0.041 17867
1600 1 9 . 1 1 102 102 GLN H H 335 8.382 8.382 8.227 0.155 17867
1601 1 9 . 1 1 103 103 HIS N N 336 114.779 114.779 114.833 -0.054 17867
1602 1 9 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.700 -0.200 17867
1603 1 9 . 1 1 103 103 HIS C C 336 174.800 174.800 174.897 -0.097 17867
1604 1 9 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.502 1.138 17867
1605 1 9 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.035 0.305 17867
1606 1 9 . 1 1 103 103 HIS H H 336 7.753 7.753 7.603 0.150 17867
1607 1 9 . 1 1 104 104 GLY N N 337 108.669 108.669 107.120 1.549 17867
1608 1 9 . 1 1 104 104 GLY C C 337 174.400 174.400 174.315 0.085 17867
1609 1 9 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.307 1.133 17867
1610 1 9 . 1 1 104 104 GLY H H 337 7.698 7.698 7.552 0.146 17867
1611 1 9 . 1 1 105 105 VAL N N 338 120.862 120.862 121.135 -0.273 17867
1612 1 9 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.168 -0.168 17867
1613 1 9 . 1 1 105 105 VAL C C 338 175.900 175.900 175.902 -0.002 17867
1614 1 9 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.404 0.056 17867
1615 1 9 . 1 1 105 105 VAL CB C 338 32.060 32.060 31.982 0.078 17867
1616 1 9 . 1 1 105 105 VAL H H 338 8.216 8.216 8.122 0.094 17867
1617 1 9 . 1 1 106 106 THR N N 339 117.786 117.786 117.146 0.640 17867
1618 1 9 . 1 1 106 106 THR HA H 339 4.340 4.340 4.396 -0.056 17867
1619 1 9 . 1 1 106 106 THR C C 339 174.800 174.800 174.952 -0.152 17867
1620 1 9 . 1 1 106 106 THR CA C 339 62.500 62.500 62.915 -0.415 17867
1621 1 9 . 1 1 106 106 THR CB C 339 69.300 69.300 69.542 -0.242 17867
1622 1 9 . 1 1 106 106 THR H H 339 8.285 8.285 8.504 -0.219 17867
1623 1 9 . 1 1 107 107 ASP N N 340 122.147 122.147 123.555 -1.408 17867
1624 1 9 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.808 -0.528 17867
1625 1 9 . 1 1 107 107 ASP C C 340 175.800 175.800 176.018 -0.218 17867
1626 1 9 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.580 -0.140 17867
1627 1 9 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.024 -0.004 17867
1628 1 9 . 1 1 107 107 ASP H H 340 8.068 8.068 7.944 0.124 17867
1629 1 9 . 1 1 108 108 LEU N N 341 125.614 125.614 125.364 0.250 17867
1630 1 9 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.089 -0.129 17867
1631 1 9 . 1 1 108 108 LEU C C 341 178.200 178.200 177.858 0.342 17867
1632 1 9 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.341 0.199 17867
1633 1 9 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.373 -0.653 17867
1634 1 9 . 1 1 108 108 LEU H H 341 8.520 8.520 7.594 0.926 17867
1635 1 9 . 1 1 109 109 ARG N N 342 118.141 118.141 118.758 -0.617 17867
1636 1 9 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.987 -0.057 17867
1637 1 9 . 1 1 109 109 ARG C C 342 179.500 179.500 178.820 0.680 17867
1638 1 9 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.444 0.117 17867
1639 1 9 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.562 -0.012 17867
1640 1 9 . 1 1 109 109 ARG H H 342 8.501 8.501 8.511 -0.010 17867
1641 1 9 . 1 1 110 110 GLY N N 343 108.347 108.347 107.802 0.545 17867
1642 1 9 . 1 1 110 110 GLY C C 343 176.300 176.300 176.314 -0.014 17867
1643 1 9 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.895 0.045 17867
1644 1 9 . 1 1 110 110 GLY H H 343 8.353 8.353 8.873 -0.520 17867
1645 1 9 . 1 1 111 111 MET N N 344 122.736 122.736 120.641 2.095 17867
1646 1 9 . 1 1 111 111 MET HA H 344 4.170 4.170 4.310 -0.140 17867
1647 1 9 . 1 1 111 111 MET C C 344 177.800 177.800 178.245 -0.445 17867
1648 1 9 . 1 1 111 111 MET CA C 344 58.620 58.620 56.771 1.849 17867
1649 1 9 . 1 1 111 111 MET CB C 344 32.780 32.780 31.912 0.868 17867
1650 1 9 . 1 1 111 111 MET H H 344 7.984 7.984 7.648 0.336 17867
1651 1 9 . 1 1 112 112 LEU N N 345 118.666 118.666 119.604 -0.938 17867
1652 1 9 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.942 0.048 17867
1653 1 9 . 1 1 112 112 LEU C C 345 179.400 179.400 178.850 0.550 17867
1654 1 9 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.406 0.234 17867
1655 1 9 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.872 0.308 17867
1656 1 9 . 1 1 112 112 LEU H H 345 8.340 8.340 8.492 -0.152 17867
1657 1 9 . 1 1 113 113 LYS N N 346 119.190 119.190 119.947 -0.757 17867
1658 1 9 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.019 0.021 17867
1659 1 9 . 1 1 113 113 LYS C C 346 179.000 179.000 178.437 0.563 17867
1660 1 9 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.139 0.001 17867
1661 1 9 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.154 0.186 17867
1662 1 9 . 1 1 113 113 LYS H H 346 7.786 7.786 8.076 -0.290 17867
1663 1 9 . 1 1 114 114 ARG N N 347 119.664 119.664 117.881 1.783 17867
1664 1 9 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.814 0.266 17867
1665 1 9 . 1 1 114 114 ARG C C 347 178.600 178.600 177.861 0.739 17867
1666 1 9 . 1 1 114 114 ARG CA C 347 58.370 58.370 58.207 0.163 17867
1667 1 9 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.908 0.212 17867
1668 1 9 . 1 1 114 114 ARG H H 347 7.786 7.786 7.554 0.232 17867
1669 1 9 . 1 1 115 115 LEU N N 348 120.259 120.259 120.891 -0.632 17867
1670 1 9 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.252 -0.122 17867
1671 1 9 . 1 1 115 115 LEU C C 348 178.500 178.500 177.600 0.900 17867
1672 1 9 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.687 -0.687 17867
1673 1 9 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.474 -0.364 17867
1674 1 9 . 1 1 115 115 LEU H H 348 8.199 8.199 8.101 0.098 17867
1675 1 10 . 1 1 83 83 ASP N N 316 121.228 121.228 119.103 2.125 17867
1676 1 10 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.607 -0.057 17867
1677 1 10 . 1 1 83 83 ASP C C 316 177.400 177.400 176.767 0.633 17867
1678 1 10 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.605 1.165 17867
1679 1 10 . 1 1 83 83 ASP CB C 316 41.030 41.030 39.804 1.226 17867
1680 1 10 . 1 1 83 83 ASP H H 316 8.199 8.199 8.363 -0.164 17867
1681 1 10 . 1 1 84 84 VAL N N 317 121.668 121.668 120.213 1.455 17867
1682 1 10 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.517 -0.207 17867
1683 1 10 . 1 1 84 84 VAL C C 317 175.800 175.800 176.180 -0.380 17867
1684 1 10 . 1 1 84 84 VAL CA C 317 64.710 64.710 64.103 0.607 17867
1685 1 10 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.747 -0.706 17867
1686 1 10 . 1 1 84 84 VAL H H 317 8.096 8.096 8.044 0.052 17867
1687 1 10 . 1 1 85 85 TRP N N 318 121.197 121.197 118.919 2.278 17867
1688 1 10 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.235 0.025 17867
1689 1 10 . 1 1 85 85 TRP C C 318 177.500 177.500 177.307 0.193 17867
1690 1 10 . 1 1 85 85 TRP CA C 318 59.610 59.610 58.960 0.650 17867
1691 1 10 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.007 0.813 17867
1692 1 10 . 1 1 85 85 TRP H H 318 7.706 7.706 8.063 -0.357 17867
1693 1 10 . 1 1 86 86 GLU N N 319 117.895 117.895 119.775 -1.880 17867
1694 1 10 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.600 0.450 17867
1695 1 10 . 1 1 86 86 GLU C C 319 178.500 178.500 178.527 -0.027 17867
1696 1 10 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.390 -0.090 17867
1697 1 10 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.793 0.467 17867
1698 1 10 . 1 1 86 86 GLU H H 319 7.604 7.604 6.754 0.850 17867
1699 1 10 . 1 1 87 87 ILE N N 320 119.002 119.002 119.473 -0.471 17867
1700 1 10 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.758 -0.078 17867
1701 1 10 . 1 1 87 87 ILE C C 320 179.300 179.300 178.233 1.067 17867
1702 1 10 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.094 0.256 17867
1703 1 10 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.169 -0.229 17867
1704 1 10 . 1 1 87 87 ILE H H 320 7.428 7.428 7.477 -0.049 17867
1705 1 10 . 1 1 88 88 LEU N N 321 119.705 119.705 119.911 -0.206 17867
1706 1 10 . 1 1 88 88 LEU HA H 321 3.850 3.850 4.004 -0.154 17867
1707 1 10 . 1 1 88 88 LEU C C 321 178.600 178.600 179.396 -0.796 17867
1708 1 10 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.532 0.058 17867
1709 1 10 . 1 1 88 88 LEU CB C 321 41.990 41.990 41.023 0.967 17867
1710 1 10 . 1 1 88 88 LEU H H 321 8.231 8.231 8.220 0.011 17867
1711 1 10 . 1 1 89 89 ARG N N 322 116.816 116.816 119.628 -2.812 17867
1712 1 10 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.060 -0.270 17867
1713 1 10 . 1 1 89 89 ARG C C 322 177.500 177.500 177.582 -0.082 17867
1714 1 10 . 1 1 89 89 ARG CA C 322 59.180 59.180 59.032 0.148 17867
1715 1 10 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.252 -0.322 17867
1716 1 10 . 1 1 89 89 ARG H H 322 8.068 8.068 7.878 0.190 17867
1717 1 10 . 1 1 90 90 GLN N N 323 114.097 114.097 116.205 -2.108 17867
1718 1 10 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.490 -0.070 17867
1719 1 10 . 1 1 90 90 GLN C C 323 175.300 175.300 175.759 -0.459 17867
1720 1 10 . 1 1 90 90 GLN CA C 323 55.190 55.190 54.974 0.215 17867
1721 1 10 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.085 0.795 17867
1722 1 10 . 1 1 90 90 GLN H H 323 7.275 7.275 7.707 -0.432 17867
1723 1 10 . 1 1 91 91 ALA N N 324 124.443 124.443 124.368 0.075 17867
1724 1 10 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.748 -0.088 17867
1725 1 10 . 1 1 91 91 ALA C C 324 174.300 174.300 175.139 -0.839 17867
1726 1 10 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.766 0.634 17867
1727 1 10 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.980 -0.049 17867
1728 1 10 . 1 1 91 91 ALA H H 324 7.634 7.634 7.492 0.142 17867
1729 1 10 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.628 1.192 17867
1730 1 10 . 1 1 93 93 PRO C C 326 178.300 178.300 177.688 0.612 17867
1731 1 10 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.639 -0.909 17867
1732 1 10 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.463 0.327 17867
1733 1 10 . 1 1 94 94 SER N N 327 111.738 111.738 113.208 -1.470 17867
1734 1 10 . 1 1 94 94 SER HA H 327 4.100 4.100 4.256 -0.156 17867
1735 1 10 . 1 1 94 94 SER C C 327 175.800 175.800 175.590 0.210 17867
1736 1 10 . 1 1 94 94 SER CA C 327 60.170 60.170 60.384 -0.214 17867
1737 1 10 . 1 1 94 94 SER CB C 327 62.070 62.070 62.585 -0.515 17867
1738 1 10 . 1 1 94 94 SER H H 327 7.938 7.938 8.019 -0.081 17867
1739 1 10 . 1 1 95 95 GLU N N 328 119.807 119.807 119.780 0.027 17867
1740 1 10 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.537 -0.007 17867
1741 1 10 . 1 1 95 95 GLU C C 328 176.500 176.500 177.399 -0.899 17867
1742 1 10 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.611 -0.051 17867
1743 1 10 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.279 1.431 17867
1744 1 10 . 1 1 95 95 GLU H H 328 8.201 8.201 7.573 0.628 17867
1745 1 10 . 1 1 96 96 TYR N N 329 118.008 118.008 120.150 -2.142 17867
1746 1 10 . 1 1 96 96 TYR HA H 329 4.200 4.200 3.999 0.201 17867
1747 1 10 . 1 1 96 96 TYR C C 329 177.300 177.300 177.718 -0.418 17867
1748 1 10 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.389 -1.699 17867
1749 1 10 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.598 -0.568 17867
1750 1 10 . 1 1 96 96 TYR H H 329 7.458 7.458 7.303 0.155 17867
1751 1 10 . 1 1 97 97 GLU N N 330 117.216 117.216 118.166 -0.950 17867
1752 1 10 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.511 0.359 17867
1753 1 10 . 1 1 97 97 GLU C C 330 178.500 178.500 178.470 0.030 17867
1754 1 10 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.560 0.830 17867
1755 1 10 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.893 0.007 17867
1756 1 10 . 1 1 97 97 GLU H H 330 8.679 8.679 8.657 0.022 17867
1757 1 10 . 1 1 98 98 ARG N N 331 121.169 121.169 119.012 2.157 17867
1758 1 10 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.045 0.085 17867
1759 1 10 . 1 1 98 98 ARG C C 331 178.900 178.900 179.176 -0.276 17867
1760 1 10 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.967 0.393 17867
1761 1 10 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.185 10.875 17867
1762 1 10 . 1 1 98 98 ARG H H 331 8.201 8.201 8.046 0.155 17867
1763 1 10 . 1 1 99 99 ILE N N 332 120.544 120.544 119.755 0.789 17867
1764 1 10 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.842 -0.012 17867
1765 1 10 . 1 1 99 99 ILE C C 332 178.400 178.400 177.725 0.675 17867
1766 1 10 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.733 0.187 17867
1767 1 10 . 1 1 99 99 ILE CB C 332 38.310 38.310 38.133 0.177 17867
1768 1 10 . 1 1 99 99 ILE H H 332 8.320 8.320 8.296 0.024 17867
1769 1 10 . 1 1 100 100 ALA N N 333 122.141 122.141 123.035 -0.894 17867
1770 1 10 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.090 -0.271 17867
1771 1 10 . 1 1 100 100 ALA C C 333 179.500 179.500 179.943 -0.443 17867
1772 1 10 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.161 0.479 17867
1773 1 10 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.364 -0.124 17867
1774 1 10 . 1 1 100 100 ALA H H 333 8.709 8.709 7.867 0.842 17867
1775 1 10 . 1 1 101 101 PHE N N 334 118.102 118.102 115.787 2.315 17867
1776 1 10 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.409 -0.059 17867
1777 1 10 . 1 1 101 101 PHE C C 334 179.400 179.400 178.952 0.448 17867
1778 1 10 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.621 2.089 17867
1779 1 10 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.876 0.994 17867
1780 1 10 . 1 1 101 101 PHE H H 334 8.275 8.275 8.087 0.188 17867
1781 1 10 . 1 1 102 102 GLN N N 335 119.590 119.590 117.709 1.881 17867
1782 1 10 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.151 -0.261 17867
1783 1 10 . 1 1 102 102 GLN C C 335 176.900 176.900 176.623 0.277 17867
1784 1 10 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.870 0.260 17867
1785 1 10 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.501 -0.101 17867
1786 1 10 . 1 1 102 102 GLN H H 335 8.382 8.382 7.962 0.420 17867
1787 1 10 . 1 1 103 103 HIS N N 336 114.779 114.779 115.950 -1.171 17867
1788 1 10 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.720 -0.220 17867
1789 1 10 . 1 1 103 103 HIS C C 336 174.800 174.800 174.966 -0.166 17867
1790 1 10 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.388 1.252 17867
1791 1 10 . 1 1 103 103 HIS CB C 336 30.340 30.340 29.829 0.511 17867
1792 1 10 . 1 1 103 103 HIS H H 336 7.753 7.753 7.629 0.124 17867
1793 1 10 . 1 1 104 104 GLY N N 337 108.669 108.669 107.166 1.503 17867
1794 1 10 . 1 1 104 104 GLY C C 337 174.400 174.400 174.410 -0.010 17867
1795 1 10 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.524 0.916 17867
1796 1 10 . 1 1 104 104 GLY H H 337 7.698 7.698 7.685 0.013 17867
1797 1 10 . 1 1 105 105 VAL N N 338 120.862 120.862 121.869 -1.007 17867
1798 1 10 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.284 -0.284 17867
1799 1 10 . 1 1 105 105 VAL C C 338 175.900 175.900 176.083 -0.183 17867
1800 1 10 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.974 0.486 17867
1801 1 10 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.214 -0.154 17867
1802 1 10 . 1 1 105 105 VAL H H 338 8.216 8.216 8.144 0.072 17867
1803 1 10 . 1 1 106 106 THR N N 339 117.786 117.786 118.145 -0.359 17867
1804 1 10 . 1 1 106 106 THR HA H 339 4.340 4.340 4.498 -0.158 17867
1805 1 10 . 1 1 106 106 THR C C 339 174.800 174.800 174.912 -0.112 17867
1806 1 10 . 1 1 106 106 THR CA C 339 62.500 62.500 63.123 -0.623 17867
1807 1 10 . 1 1 106 106 THR CB C 339 69.300 69.300 69.441 -0.141 17867
1808 1 10 . 1 1 106 106 THR H H 339 8.285 8.285 8.568 -0.283 17867
1809 1 10 . 1 1 107 107 ASP N N 340 122.147 122.147 123.883 -1.736 17867
1810 1 10 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.777 -0.497 17867
1811 1 10 . 1 1 107 107 ASP C C 340 175.800 175.800 176.370 -0.570 17867
1812 1 10 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.975 -0.535 17867
1813 1 10 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.011 0.009 17867
1814 1 10 . 1 1 107 107 ASP H H 340 8.068 8.068 8.015 0.053 17867
1815 1 10 . 1 1 108 108 LEU N N 341 125.614 125.614 126.281 -0.667 17867
1816 1 10 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.057 -0.097 17867
1817 1 10 . 1 1 108 108 LEU C C 341 178.200 178.200 177.843 0.357 17867
1818 1 10 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.425 0.115 17867
1819 1 10 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.304 -0.584 17867
1820 1 10 . 1 1 108 108 LEU H H 341 8.520 8.520 7.786 0.734 17867
1821 1 10 . 1 1 109 109 ARG N N 342 118.141 118.141 118.753 -0.612 17867
1822 1 10 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.952 -0.022 17867
1823 1 10 . 1 1 109 109 ARG C C 342 179.500 179.500 178.775 0.725 17867
1824 1 10 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.425 0.135 17867
1825 1 10 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.544 0.006 17867
1826 1 10 . 1 1 109 109 ARG H H 342 8.501 8.501 8.539 -0.038 17867
1827 1 10 . 1 1 110 110 GLY N N 343 108.347 108.347 107.881 0.466 17867
1828 1 10 . 1 1 110 110 GLY C C 343 176.300 176.300 175.917 0.383 17867
1829 1 10 . 1 1 110 110 GLY CA C 343 46.940 46.940 47.121 -0.181 17867
1830 1 10 . 1 1 110 110 GLY H H 343 8.353 8.353 8.849 -0.496 17867
1831 1 10 . 1 1 111 111 MET N N 344 122.736 122.736 119.833 2.903 17867
1832 1 10 . 1 1 111 111 MET HA H 344 4.170 4.170 4.318 -0.148 17867
1833 1 10 . 1 1 111 111 MET C C 344 177.800 177.800 178.218 -0.418 17867
1834 1 10 . 1 1 111 111 MET CA C 344 58.620 58.620 56.573 2.047 17867
1835 1 10 . 1 1 111 111 MET CB C 344 32.780 32.780 32.007 0.773 17867
1836 1 10 . 1 1 111 111 MET H H 344 7.984 7.984 7.320 0.664 17867
1837 1 10 . 1 1 112 112 LEU N N 345 118.666 118.666 119.673 -1.007 17867
1838 1 10 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.837 0.153 17867
1839 1 10 . 1 1 112 112 LEU C C 345 179.400 179.400 179.165 0.235 17867
1840 1 10 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.639 0.001 17867
1841 1 10 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.953 0.228 17867
1842 1 10 . 1 1 112 112 LEU H H 345 8.340 8.340 8.446 -0.106 17867
1843 1 10 . 1 1 113 113 LYS N N 346 119.190 119.190 118.231 0.959 17867
1844 1 10 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.041 -0.001 17867
1845 1 10 . 1 1 113 113 LYS C C 346 179.000 179.000 177.965 1.035 17867
1846 1 10 . 1 1 113 113 LYS CA C 346 59.140 59.140 58.657 0.483 17867
1847 1 10 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.155 0.185 17867
1848 1 10 . 1 1 113 113 LYS H H 346 7.786 7.786 8.007 -0.221 17867
1849 1 10 . 1 1 114 114 ARG N N 347 119.664 119.664 117.524 2.140 17867
1850 1 10 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.821 0.259 17867
1851 1 10 . 1 1 114 114 ARG C C 347 178.600 178.600 177.456 1.144 17867
1852 1 10 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.810 0.560 17867
1853 1 10 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.262 -0.141 17867
1854 1 10 . 1 1 114 114 ARG H H 347 7.786 7.786 7.434 0.352 17867
1855 1 10 . 1 1 115 115 LEU N N 348 120.259 120.259 114.864 5.395 17867
1856 1 10 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.528 -0.398 17867
1857 1 10 . 1 1 115 115 LEU C C 348 178.500 178.500 177.257 1.243 17867
1858 1 10 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.615 0.385 17867
1859 1 10 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.225 -0.115 17867
1860 1 10 . 1 1 115 115 LEU H H 348 8.199 8.199 7.595 0.604 17867
1861 1 11 . 1 1 83 83 ASP N N 316 121.228 121.228 121.413 -0.185 17867
1862 1 11 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.558 -0.008 17867
1863 1 11 . 1 1 83 83 ASP C C 316 177.400 177.400 176.188 1.212 17867
1864 1 11 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.795 0.974 17867
1865 1 11 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.385 -0.355 17867
1866 1 11 . 1 1 83 83 ASP H H 316 8.199 8.199 8.340 -0.141 17867
1867 1 11 . 1 1 84 84 VAL N N 317 121.668 121.668 119.460 2.208 17867
1868 1 11 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.397 -0.087 17867
1869 1 11 . 1 1 84 84 VAL C C 317 175.800 175.800 177.540 -1.740 17867
1870 1 11 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.534 -0.824 17867
1871 1 11 . 1 1 84 84 VAL CB C 317 31.040 31.040 32.066 -1.026 17867
1872 1 11 . 1 1 84 84 VAL H H 317 8.096 8.096 8.601 -0.505 17867
1873 1 11 . 1 1 85 85 TRP N N 318 121.197 121.197 118.851 2.346 17867
1874 1 11 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.123 0.137 17867
1875 1 11 . 1 1 85 85 TRP C C 318 177.500 177.500 177.125 0.375 17867
1876 1 11 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.455 0.155 17867
1877 1 11 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.481 0.339 17867
1878 1 11 . 1 1 85 85 TRP H H 318 7.706 7.706 7.945 -0.239 17867
1879 1 11 . 1 1 86 86 GLU N N 319 117.895 117.895 119.169 -1.274 17867
1880 1 11 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.638 0.412 17867
1881 1 11 . 1 1 86 86 GLU C C 319 178.500 178.500 177.323 1.177 17867
1882 1 11 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.252 0.048 17867
1883 1 11 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.503 0.757 17867
1884 1 11 . 1 1 86 86 GLU H H 319 7.604 7.604 7.398 0.206 17867
1885 1 11 . 1 1 87 87 ILE N N 320 119.002 119.002 118.152 0.850 17867
1886 1 11 . 1 1 87 87 ILE HA H 320 3.680 3.680 4.001 -0.321 17867
1887 1 11 . 1 1 87 87 ILE C C 320 179.300 179.300 177.467 1.833 17867
1888 1 11 . 1 1 87 87 ILE CA C 320 64.350 64.350 61.246 3.104 17867
1889 1 11 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.123 -0.183 17867
1890 1 11 . 1 1 87 87 ILE H H 320 7.428 7.428 7.747 -0.319 17867
1891 1 11 . 1 1 88 88 LEU N N 321 119.705 119.705 120.307 -0.602 17867
1892 1 11 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.839 0.011 17867
1893 1 11 . 1 1 88 88 LEU C C 321 178.600 178.600 178.860 -0.260 17867
1894 1 11 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.849 -0.259 17867
1895 1 11 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.550 1.440 17867
1896 1 11 . 1 1 88 88 LEU H H 321 8.231 8.231 8.100 0.131 17867
1897 1 11 . 1 1 89 89 ARG N N 322 116.816 116.816 118.572 -1.756 17867
1898 1 11 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.038 -0.248 17867
1899 1 11 . 1 1 89 89 ARG C C 322 177.500 177.500 177.657 -0.157 17867
1900 1 11 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.862 0.318 17867
1901 1 11 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.212 -0.282 17867
1902 1 11 . 1 1 89 89 ARG H H 322 8.068 8.068 7.620 0.448 17867
1903 1 11 . 1 1 90 90 GLN N N 323 114.097 114.097 115.636 -1.539 17867
1904 1 11 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.417 0.003 17867
1905 1 11 . 1 1 90 90 GLN C C 323 175.300 175.300 175.662 -0.362 17867
1906 1 11 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.596 -0.406 17867
1907 1 11 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.736 -0.856 17867
1908 1 11 . 1 1 90 90 GLN H H 323 7.275 7.275 7.592 -0.317 17867
1909 1 11 . 1 1 91 91 ALA N N 324 124.443 124.443 124.516 -0.073 17867
1910 1 11 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.585 0.075 17867
1911 1 11 . 1 1 91 91 ALA C C 324 174.300 174.300 175.329 -1.029 17867
1912 1 11 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.279 0.122 17867
1913 1 11 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.631 0.299 17867
1914 1 11 . 1 1 91 91 ALA H H 324 7.634 7.634 7.590 0.044 17867
1915 1 11 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.625 1.195 17867
1916 1 11 . 1 1 93 93 PRO C C 326 178.300 178.300 176.797 1.503 17867
1917 1 11 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.316 -0.586 17867
1918 1 11 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.638 0.152 17867
1919 1 11 . 1 1 94 94 SER N N 327 111.738 111.738 111.097 0.641 17867
1920 1 11 . 1 1 94 94 SER HA H 327 4.100 4.100 4.293 -0.193 17867
1921 1 11 . 1 1 94 94 SER C C 327 175.800 175.800 175.671 0.129 17867
1922 1 11 . 1 1 94 94 SER CA C 327 60.170 60.170 59.798 0.372 17867
1923 1 11 . 1 1 94 94 SER CB C 327 62.070 62.070 62.700 -0.631 17867
1924 1 11 . 1 1 94 94 SER H H 327 7.938 7.938 7.817 0.121 17867
1925 1 11 . 1 1 95 95 GLU N N 328 119.807 119.807 119.703 0.104 17867
1926 1 11 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.555 -0.025 17867
1927 1 11 . 1 1 95 95 GLU C C 328 176.500 176.500 177.451 -0.951 17867
1928 1 11 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.869 -0.309 17867
1929 1 11 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.652 1.058 17867
1930 1 11 . 1 1 95 95 GLU H H 328 8.201 8.201 7.583 0.618 17867
1931 1 11 . 1 1 96 96 TYR N N 329 118.008 118.008 120.230 -2.222 17867
1932 1 11 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.004 0.196 17867
1933 1 11 . 1 1 96 96 TYR C C 329 177.300 177.300 177.483 -0.183 17867
1934 1 11 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.574 -1.884 17867
1935 1 11 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.618 -0.588 17867
1936 1 11 . 1 1 96 96 TYR H H 329 7.458 7.458 7.436 0.022 17867
1937 1 11 . 1 1 97 97 GLU N N 330 117.216 117.216 118.375 -1.159 17867
1938 1 11 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.597 0.273 17867
1939 1 11 . 1 1 97 97 GLU C C 330 178.500 178.500 178.550 -0.050 17867
1940 1 11 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.559 0.832 17867
1941 1 11 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.103 -0.203 17867
1942 1 11 . 1 1 97 97 GLU H H 330 8.679 8.679 8.892 -0.213 17867
1943 1 11 . 1 1 98 98 ARG N N 331 121.169 121.169 118.764 2.405 17867
1944 1 11 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.036 0.094 17867
1945 1 11 . 1 1 98 98 ARG C C 331 178.900 178.900 179.104 -0.204 17867
1946 1 11 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.774 0.586 17867
1947 1 11 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.183 10.877 17867
1948 1 11 . 1 1 98 98 ARG H H 331 8.201 8.201 7.498 0.703 17867
1949 1 11 . 1 1 99 99 ILE N N 332 120.544 120.544 120.156 0.388 17867
1950 1 11 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.812 0.018 17867
1951 1 11 . 1 1 99 99 ILE C C 332 178.400 178.400 178.206 0.194 17867
1952 1 11 . 1 1 99 99 ILE CA C 332 64.920 64.920 63.729 1.191 17867
1953 1 11 . 1 1 99 99 ILE CB C 332 38.310 38.310 36.894 1.416 17867
1954 1 11 . 1 1 99 99 ILE H H 332 8.320 8.320 8.445 -0.125 17867
1955 1 11 . 1 1 100 100 ALA N N 333 122.141 122.141 122.760 -0.619 17867
1956 1 11 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.152 -0.332 17867
1957 1 11 . 1 1 100 100 ALA C C 333 179.500 179.500 179.932 -0.432 17867
1958 1 11 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.069 0.571 17867
1959 1 11 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.473 -0.233 17867
1960 1 11 . 1 1 100 100 ALA H H 333 8.709 8.709 7.953 0.756 17867
1961 1 11 . 1 1 101 101 PHE N N 334 118.102 118.102 117.923 0.179 17867
1962 1 11 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.354 -0.004 17867
1963 1 11 . 1 1 101 101 PHE C C 334 179.400 179.400 179.126 0.274 17867
1964 1 11 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.600 2.110 17867
1965 1 11 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.813 1.057 17867
1966 1 11 . 1 1 101 101 PHE H H 334 8.275 8.275 7.632 0.643 17867
1967 1 11 . 1 1 102 102 GLN N N 335 119.590 119.590 118.338 1.252 17867
1968 1 11 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.065 -0.175 17867
1969 1 11 . 1 1 102 102 GLN C C 335 176.900 176.900 176.835 0.065 17867
1970 1 11 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.353 -0.223 17867
1971 1 11 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.511 -0.111 17867
1972 1 11 . 1 1 102 102 GLN H H 335 8.382 8.382 8.140 0.242 17867
1973 1 11 . 1 1 103 103 HIS N N 336 114.779 114.779 115.422 -0.643 17867
1974 1 11 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.743 -0.243 17867
1975 1 11 . 1 1 103 103 HIS C C 336 174.800 174.800 174.970 -0.170 17867
1976 1 11 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.681 0.959 17867
1977 1 11 . 1 1 103 103 HIS CB C 336 30.340 30.340 29.921 0.419 17867
1978 1 11 . 1 1 103 103 HIS H H 336 7.753 7.753 7.783 -0.030 17867
1979 1 11 . 1 1 104 104 GLY N N 337 108.669 108.669 108.005 0.664 17867
1980 1 11 . 1 1 104 104 GLY C C 337 174.400 174.400 174.093 0.307 17867
1981 1 11 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.773 0.667 17867
1982 1 11 . 1 1 104 104 GLY H H 337 7.698 7.698 7.828 -0.130 17867
1983 1 11 . 1 1 105 105 VAL N N 338 120.862 120.862 121.313 -0.451 17867
1984 1 11 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.340 -0.340 17867
1985 1 11 . 1 1 105 105 VAL C C 338 175.900 175.900 175.884 0.016 17867
1986 1 11 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.704 0.756 17867
1987 1 11 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.891 -0.831 17867
1988 1 11 . 1 1 105 105 VAL H H 338 8.216 8.216 8.118 0.098 17867
1989 1 11 . 1 1 106 106 THR N N 339 117.786 117.786 115.528 2.258 17867
1990 1 11 . 1 1 106 106 THR HA H 339 4.340 4.340 4.587 -0.247 17867
1991 1 11 . 1 1 106 106 THR C C 339 174.800 174.800 174.724 0.076 17867
1992 1 11 . 1 1 106 106 THR CA C 339 62.500 62.500 63.002 -0.502 17867
1993 1 11 . 1 1 106 106 THR CB C 339 69.300 69.300 69.757 -0.457 17867
1994 1 11 . 1 1 106 106 THR H H 339 8.285 8.285 8.536 -0.251 17867
1995 1 11 . 1 1 107 107 ASP N N 340 122.147 122.147 123.543 -1.396 17867
1996 1 11 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.747 -0.467 17867
1997 1 11 . 1 1 107 107 ASP C C 340 175.800 175.800 176.356 -0.556 17867
1998 1 11 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.965 -0.525 17867
1999 1 11 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.940 0.080 17867
2000 1 11 . 1 1 107 107 ASP H H 340 8.068 8.068 7.919 0.149 17867
2001 1 11 . 1 1 108 108 LEU N N 341 125.614 125.614 126.137 -0.523 17867
2002 1 11 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.062 -0.102 17867
2003 1 11 . 1 1 108 108 LEU C C 341 178.200 178.200 177.882 0.318 17867
2004 1 11 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.269 0.271 17867
2005 1 11 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.291 -0.571 17867
2006 1 11 . 1 1 108 108 LEU H H 341 8.520 8.520 7.817 0.703 17867
2007 1 11 . 1 1 109 109 ARG N N 342 118.141 118.141 118.761 -0.620 17867
2008 1 11 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.990 -0.060 17867
2009 1 11 . 1 1 109 109 ARG C C 342 179.500 179.500 178.825 0.675 17867
2010 1 11 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.467 0.093 17867
2011 1 11 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.582 -0.032 17867
2012 1 11 . 1 1 109 109 ARG H H 342 8.501 8.501 8.477 0.024 17867
2013 1 11 . 1 1 110 110 GLY N N 343 108.347 108.347 107.978 0.369 17867
2014 1 11 . 1 1 110 110 GLY C C 343 176.300 176.300 176.307 -0.007 17867
2015 1 11 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.957 -0.017 17867
2016 1 11 . 1 1 110 110 GLY H H 343 8.353 8.353 8.902 -0.549 17867
2017 1 11 . 1 1 111 111 MET N N 344 122.736 122.736 120.875 1.861 17867
2018 1 11 . 1 1 111 111 MET HA H 344 4.170 4.170 4.369 -0.199 17867
2019 1 11 . 1 1 111 111 MET C C 344 177.800 177.800 178.575 -0.775 17867
2020 1 11 . 1 1 111 111 MET CA C 344 58.620 58.620 56.682 1.938 17867
2021 1 11 . 1 1 111 111 MET CB C 344 32.780 32.780 31.799 0.981 17867
2022 1 11 . 1 1 111 111 MET H H 344 7.984 7.984 7.606 0.378 17867
2023 1 11 . 1 1 112 112 LEU N N 345 118.666 118.666 120.182 -1.516 17867
2024 1 11 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.916 0.074 17867
2025 1 11 . 1 1 112 112 LEU C C 345 179.400 179.400 178.708 0.692 17867
2026 1 11 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.630 0.010 17867
2027 1 11 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.098 0.082 17867
2028 1 11 . 1 1 112 112 LEU H H 345 8.340 8.340 8.487 -0.147 17867
2029 1 11 . 1 1 113 113 LYS N N 346 119.190 119.190 119.830 -0.640 17867
2030 1 11 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.005 0.035 17867
2031 1 11 . 1 1 113 113 LYS C C 346 179.000 179.000 178.448 0.552 17867
2032 1 11 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.131 0.009 17867
2033 1 11 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.161 0.179 17867
2034 1 11 . 1 1 113 113 LYS H H 346 7.786 7.786 8.090 -0.304 17867
2035 1 11 . 1 1 114 114 ARG N N 347 119.664 119.664 117.710 1.954 17867
2036 1 11 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.794 0.286 17867
2037 1 11 . 1 1 114 114 ARG C C 347 178.600 178.600 177.610 0.990 17867
2038 1 11 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.631 0.739 17867
2039 1 11 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.977 0.143 17867
2040 1 11 . 1 1 114 114 ARG H H 347 7.786 7.786 7.484 0.302 17867
2041 1 11 . 1 1 115 115 LEU N N 348 120.259 120.259 121.161 -0.902 17867
2042 1 11 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.307 -0.177 17867
2043 1 11 . 1 1 115 115 LEU C C 348 178.500 178.500 177.443 1.057 17867
2044 1 11 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.083 -0.083 17867
2045 1 11 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.659 -0.549 17867
2046 1 11 . 1 1 115 115 LEU H H 348 8.199 8.199 7.860 0.339 17867
2047 1 12 . 1 1 83 83 ASP N N 316 121.228 121.228 121.019 0.209 17867
2048 1 12 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.802 -0.252 17867
2049 1 12 . 1 1 83 83 ASP C C 316 177.400 177.400 177.267 0.133 17867
2050 1 12 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.578 1.192 17867
2051 1 12 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.528 -0.498 17867
2052 1 12 . 1 1 83 83 ASP H H 316 8.199 8.199 8.822 -0.623 17867
2053 1 12 . 1 1 84 84 VAL N N 317 121.668 121.668 120.808 0.860 17867
2054 1 12 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.110 0.200 17867
2055 1 12 . 1 1 84 84 VAL C C 317 175.800 175.800 176.695 -0.895 17867
2056 1 12 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.479 -0.769 17867
2057 1 12 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.910 -0.869 17867
2058 1 12 . 1 1 84 84 VAL H H 317 8.096 8.096 8.464 -0.368 17867
2059 1 12 . 1 1 85 85 TRP N N 318 121.197 121.197 117.429 3.768 17867
2060 1 12 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.318 -0.058 17867
2061 1 12 . 1 1 85 85 TRP C C 318 177.500 177.500 176.753 0.747 17867
2062 1 12 . 1 1 85 85 TRP CA C 318 59.610 59.610 58.513 1.097 17867
2063 1 12 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.474 0.346 17867
2064 1 12 . 1 1 85 85 TRP H H 318 7.706 7.706 8.114 -0.408 17867
2065 1 12 . 1 1 86 86 GLU N N 319 117.895 117.895 120.764 -2.869 17867
2066 1 12 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.640 0.410 17867
2067 1 12 . 1 1 86 86 GLU C C 319 178.500 178.500 177.934 0.566 17867
2068 1 12 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.821 -0.521 17867
2069 1 12 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.718 0.542 17867
2070 1 12 . 1 1 86 86 GLU H H 319 7.604 7.604 7.100 0.504 17867
2071 1 12 . 1 1 87 87 ILE N N 320 119.002 119.002 119.230 -0.228 17867
2072 1 12 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.815 -0.135 17867
2073 1 12 . 1 1 87 87 ILE C C 320 179.300 179.300 177.786 1.514 17867
2074 1 12 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.675 -0.325 17867
2075 1 12 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.418 -0.478 17867
2076 1 12 . 1 1 87 87 ILE H H 320 7.428 7.428 7.806 -0.378 17867
2077 1 12 . 1 1 88 88 LEU N N 321 119.705 119.705 120.281 -0.576 17867
2078 1 12 . 1 1 88 88 LEU HA H 321 3.850 3.850 4.037 -0.187 17867
2079 1 12 . 1 1 88 88 LEU C C 321 178.600 178.600 178.340 0.260 17867
2080 1 12 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.486 0.104 17867
2081 1 12 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.549 1.441 17867
2082 1 12 . 1 1 88 88 LEU H H 321 8.231 8.231 7.913 0.318 17867
2083 1 12 . 1 1 89 89 ARG N N 322 116.816 116.816 117.561 -0.745 17867
2084 1 12 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.022 -0.232 17867
2085 1 12 . 1 1 89 89 ARG C C 322 177.500 177.500 177.795 -0.295 17867
2086 1 12 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.850 0.330 17867
2087 1 12 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.217 -0.287 17867
2088 1 12 . 1 1 89 89 ARG H H 322 8.068 8.068 7.564 0.504 17867
2089 1 12 . 1 1 90 90 GLN N N 323 114.097 114.097 116.170 -2.073 17867
2090 1 12 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.438 -0.018 17867
2091 1 12 . 1 1 90 90 GLN C C 323 175.300 175.300 176.221 -0.921 17867
2092 1 12 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.774 -0.584 17867
2093 1 12 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.770 -0.890 17867
2094 1 12 . 1 1 90 90 GLN H H 323 7.275 7.275 7.702 -0.427 17867
2095 1 12 . 1 1 91 91 ALA N N 324 124.443 124.443 124.845 -0.402 17867
2096 1 12 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.651 0.009 17867
2097 1 12 . 1 1 91 91 ALA C C 324 174.300 174.300 175.186 -0.886 17867
2098 1 12 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.201 0.199 17867
2099 1 12 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.676 0.254 17867
2100 1 12 . 1 1 91 91 ALA H H 324 7.634 7.634 7.827 -0.193 17867
2101 1 12 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.755 1.065 17867
2102 1 12 . 1 1 93 93 PRO C C 326 178.300 178.300 177.917 0.383 17867
2103 1 12 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.927 -1.198 17867
2104 1 12 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.413 0.377 17867
2105 1 12 . 1 1 94 94 SER N N 327 111.738 111.738 111.139 0.599 17867
2106 1 12 . 1 1 94 94 SER HA H 327 4.100 4.100 4.263 -0.163 17867
2107 1 12 . 1 1 94 94 SER C C 327 175.800 175.800 175.562 0.238 17867
2108 1 12 . 1 1 94 94 SER CA C 327 60.170 60.170 60.555 -0.385 17867
2109 1 12 . 1 1 94 94 SER CB C 327 62.070 62.070 62.450 -0.380 17867
2110 1 12 . 1 1 94 94 SER H H 327 7.938 7.938 8.101 -0.163 17867
2111 1 12 . 1 1 95 95 GLU N N 328 119.807 119.807 119.245 0.562 17867
2112 1 12 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.572 -0.042 17867
2113 1 12 . 1 1 95 95 GLU C C 328 176.500 176.500 177.481 -0.981 17867
2114 1 12 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.830 -0.270 17867
2115 1 12 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.448 1.262 17867
2116 1 12 . 1 1 95 95 GLU H H 328 8.201 8.201 7.787 0.414 17867
2117 1 12 . 1 1 96 96 TYR N N 329 118.008 118.008 120.250 -2.242 17867
2118 1 12 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.125 0.075 17867
2119 1 12 . 1 1 96 96 TYR C C 329 177.300 177.300 177.939 -0.639 17867
2120 1 12 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.188 -1.498 17867
2121 1 12 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.679 -0.649 17867
2122 1 12 . 1 1 96 96 TYR H H 329 7.458 7.458 7.380 0.078 17867
2123 1 12 . 1 1 97 97 GLU N N 330 117.216 117.216 118.331 -1.115 17867
2124 1 12 . 1 1 97 97 GLU HA H 330 3.870 3.870 4.074 -0.204 17867
2125 1 12 . 1 1 97 97 GLU C C 330 178.500 178.500 179.050 -0.550 17867
2126 1 12 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.979 0.411 17867
2127 1 12 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.209 -0.308 17867
2128 1 12 . 1 1 97 97 GLU H H 330 8.679 8.679 8.814 -0.135 17867
2129 1 12 . 1 1 98 98 ARG N N 331 121.169 121.169 119.613 1.556 17867
2130 1 12 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.195 -0.065 17867
2131 1 12 . 1 1 98 98 ARG C C 331 178.900 178.900 179.100 -0.200 17867
2132 1 12 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.263 0.097 17867
2133 1 12 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.078 10.982 17867
2134 1 12 . 1 1 98 98 ARG H H 331 8.201 8.201 8.153 0.048 17867
2135 1 12 . 1 1 99 99 ILE N N 332 120.544 120.544 120.181 0.363 17867
2136 1 12 . 1 1 99 99 ILE HA H 332 3.830 3.830 4.086 -0.256 17867
2137 1 12 . 1 1 99 99 ILE C C 332 178.400 178.400 178.028 0.372 17867
2138 1 12 . 1 1 99 99 ILE CA C 332 64.920 64.920 62.494 2.426 17867
2139 1 12 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.149 1.161 17867
2140 1 12 . 1 1 99 99 ILE H H 332 8.320 8.320 8.183 0.137 17867
2141 1 12 . 1 1 100 100 ALA N N 333 122.141 122.141 123.675 -1.534 17867
2142 1 12 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.074 -0.254 17867
2143 1 12 . 1 1 100 100 ALA C C 333 179.500 179.500 179.612 -0.112 17867
2144 1 12 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.202 0.438 17867
2145 1 12 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.293 -0.053 17867
2146 1 12 . 1 1 100 100 ALA H H 333 8.709 8.709 8.353 0.356 17867
2147 1 12 . 1 1 101 101 PHE N N 334 118.102 118.102 119.424 -1.322 17867
2148 1 12 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.075 0.275 17867
2149 1 12 . 1 1 101 101 PHE C C 334 179.400 179.400 177.665 1.735 17867
2150 1 12 . 1 1 101 101 PHE CA C 334 60.710 60.710 61.895 -1.185 17867
2151 1 12 . 1 1 101 101 PHE CB C 334 38.870 38.870 39.175 -0.305 17867
2152 1 12 . 1 1 101 101 PHE H H 334 8.275 8.275 8.193 0.082 17867
2153 1 12 . 1 1 102 102 GLN N N 335 119.590 119.590 116.864 2.726 17867
2154 1 12 . 1 1 102 102 GLN HA H 335 3.890 3.890 3.906 -0.016 17867
2155 1 12 . 1 1 102 102 GLN C C 335 176.900 176.900 177.927 -1.027 17867
2156 1 12 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.343 -0.213 17867
2157 1 12 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.753 -0.353 17867
2158 1 12 . 1 1 102 102 GLN H H 335 8.382 8.382 7.782 0.600 17867
2159 1 12 . 1 1 103 103 HIS N N 336 114.779 114.779 115.726 -0.947 17867
2160 1 12 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.518 -0.018 17867
2161 1 12 . 1 1 103 103 HIS C C 336 174.800 174.800 175.855 -1.055 17867
2162 1 12 . 1 1 103 103 HIS CA C 336 56.640 56.640 57.097 -0.457 17867
2163 1 12 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.301 0.039 17867
2164 1 12 . 1 1 103 103 HIS H H 336 7.753 7.753 7.885 -0.132 17867
2165 1 12 . 1 1 104 104 GLY N N 337 108.669 108.669 107.280 1.389 17867
2166 1 12 . 1 1 104 104 GLY C C 337 174.400 174.400 174.057 0.343 17867
2167 1 12 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.221 1.220 17867
2168 1 12 . 1 1 104 104 GLY H H 337 7.698 7.698 7.984 -0.286 17867
2169 1 12 . 1 1 105 105 VAL N N 338 120.862 120.862 121.735 -0.873 17867
2170 1 12 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.110 -0.110 17867
2171 1 12 . 1 1 105 105 VAL C C 338 175.900 175.900 175.964 -0.064 17867
2172 1 12 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.969 -0.509 17867
2173 1 12 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.179 -0.119 17867
2174 1 12 . 1 1 105 105 VAL H H 338 8.216 8.216 8.152 0.064 17867
2175 1 12 . 1 1 106 106 THR N N 339 117.786 117.786 117.141 0.645 17867
2176 1 12 . 1 1 106 106 THR HA H 339 4.340 4.340 4.392 -0.052 17867
2177 1 12 . 1 1 106 106 THR C C 339 174.800 174.800 174.867 -0.067 17867
2178 1 12 . 1 1 106 106 THR CA C 339 62.500 62.500 62.719 -0.219 17867
2179 1 12 . 1 1 106 106 THR CB C 339 69.300 69.300 69.564 -0.264 17867
2180 1 12 . 1 1 106 106 THR H H 339 8.285 8.285 8.492 -0.207 17867
2181 1 12 . 1 1 107 107 ASP N N 340 122.147 122.147 123.607 -1.460 17867
2182 1 12 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.806 -0.526 17867
2183 1 12 . 1 1 107 107 ASP C C 340 175.800 175.800 176.004 -0.204 17867
2184 1 12 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.655 -0.215 17867
2185 1 12 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.261 -0.242 17867
2186 1 12 . 1 1 107 107 ASP H H 340 8.068 8.068 7.890 0.178 17867
2187 1 12 . 1 1 108 108 LEU N N 341 125.614 125.614 126.034 -0.420 17867
2188 1 12 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.063 -0.103 17867
2189 1 12 . 1 1 108 108 LEU C C 341 178.200 178.200 177.868 0.332 17867
2190 1 12 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.373 0.167 17867
2191 1 12 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.403 -0.682 17867
2192 1 12 . 1 1 108 108 LEU H H 341 8.520 8.520 7.834 0.686 17867
2193 1 12 . 1 1 109 109 ARG N N 342 118.141 118.141 118.747 -0.606 17867
2194 1 12 . 1 1 109 109 ARG HA H 342 3.930 3.930 4.008 -0.078 17867
2195 1 12 . 1 1 109 109 ARG C C 342 179.500 179.500 178.795 0.705 17867
2196 1 12 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.368 0.192 17867
2197 1 12 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.617 -0.067 17867
2198 1 12 . 1 1 109 109 ARG H H 342 8.501 8.501 8.483 0.018 17867
2199 1 12 . 1 1 110 110 GLY N N 343 108.347 108.347 108.277 0.070 17867
2200 1 12 . 1 1 110 110 GLY C C 343 176.300 176.300 176.373 -0.073 17867
2201 1 12 . 1 1 110 110 GLY CA C 343 46.940 46.940 47.055 -0.115 17867
2202 1 12 . 1 1 110 110 GLY H H 343 8.353 8.353 8.897 -0.544 17867
2203 1 12 . 1 1 111 111 MET N N 344 122.736 122.736 120.757 1.979 17867
2204 1 12 . 1 1 111 111 MET HA H 344 4.170 4.170 4.276 -0.106 17867
2205 1 12 . 1 1 111 111 MET C C 344 177.800 177.800 178.597 -0.797 17867
2206 1 12 . 1 1 111 111 MET CA C 344 58.620 58.620 56.766 1.854 17867
2207 1 12 . 1 1 111 111 MET CB C 344 32.780 32.780 31.865 0.915 17867
2208 1 12 . 1 1 111 111 MET H H 344 7.984 7.984 7.564 0.420 17867
2209 1 12 . 1 1 112 112 LEU N N 345 118.666 118.666 119.193 -0.527 17867
2210 1 12 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.879 0.111 17867
2211 1 12 . 1 1 112 112 LEU C C 345 179.400 179.400 179.042 0.358 17867
2212 1 12 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.431 0.209 17867
2213 1 12 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.148 0.032 17867
2214 1 12 . 1 1 112 112 LEU H H 345 8.340 8.340 8.098 0.242 17867
2215 1 12 . 1 1 113 113 LYS N N 346 119.190 119.190 118.548 0.642 17867
2216 1 12 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.104 -0.064 17867
2217 1 12 . 1 1 113 113 LYS C C 346 179.000 179.000 178.534 0.466 17867
2218 1 12 . 1 1 113 113 LYS CA C 346 59.140 59.140 58.758 0.383 17867
2219 1 12 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.362 -0.022 17867
2220 1 12 . 1 1 113 113 LYS H H 346 7.786 7.786 8.015 -0.229 17867
2221 1 12 . 1 1 114 114 ARG N N 347 119.664 119.664 117.624 2.040 17867
2222 1 12 . 1 1 114 114 ARG HA H 347 4.080 4.080 4.157 -0.077 17867
2223 1 12 . 1 1 114 114 ARG C C 347 178.600 178.600 177.026 1.574 17867
2224 1 12 . 1 1 114 114 ARG CA C 347 58.370 58.370 55.856 2.514 17867
2225 1 12 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.724 0.396 17867
2226 1 12 . 1 1 114 114 ARG H H 347 7.786 7.786 7.788 -0.003 17867
2227 1 12 . 1 1 115 115 LEU N N 348 120.259 120.259 120.229 0.030 17867
2228 1 12 . 1 1 115 115 LEU HA H 348 4.130 4.130 3.884 0.246 17867
2229 1 12 . 1 1 115 115 LEU C C 348 178.500 178.500 176.228 2.272 17867
2230 1 12 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.512 -0.512 17867
2231 1 12 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.088 0.022 17867
2232 1 12 . 1 1 115 115 LEU H H 348 8.199 8.199 7.502 0.697 17867
2233 1 13 . 1 1 83 83 ASP N N 316 121.228 121.228 120.785 0.443 17867
2234 1 13 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.619 -0.069 17867
2235 1 13 . 1 1 83 83 ASP C C 316 177.400 177.400 177.193 0.207 17867
2236 1 13 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.544 1.226 17867
2237 1 13 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.399 -0.369 17867
2238 1 13 . 1 1 83 83 ASP H H 316 8.199 8.199 8.700 -0.501 17867
2239 1 13 . 1 1 84 84 VAL N N 317 121.668 121.668 119.830 1.838 17867
2240 1 13 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.554 -0.244 17867
2241 1 13 . 1 1 84 84 VAL C C 317 175.800 175.800 177.625 -1.825 17867
2242 1 13 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.889 -1.179 17867
2243 1 13 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.937 -0.897 17867
2244 1 13 . 1 1 84 84 VAL H H 317 8.096 8.096 8.725 -0.629 17867
2245 1 13 . 1 1 85 85 TRP N N 318 121.197 121.197 118.520 2.677 17867
2246 1 13 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.237 0.023 17867
2247 1 13 . 1 1 85 85 TRP C C 318 177.500 177.500 177.209 0.291 17867
2248 1 13 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.145 0.465 17867
2249 1 13 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.407 0.413 17867
2250 1 13 . 1 1 85 85 TRP H H 318 7.706 7.706 8.376 -0.670 17867
2251 1 13 . 1 1 86 86 GLU N N 319 117.895 117.895 120.861 -2.966 17867
2252 1 13 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.750 0.300 17867
2253 1 13 . 1 1 86 86 GLU C C 319 178.500 178.500 178.098 0.402 17867
2254 1 13 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.754 -0.454 17867
2255 1 13 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.584 0.676 17867
2256 1 13 . 1 1 86 86 GLU H H 319 7.604 7.604 7.071 0.533 17867
2257 1 13 . 1 1 87 87 ILE N N 320 119.002 119.002 120.219 -1.217 17867
2258 1 13 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.685 -0.005 17867
2259 1 13 . 1 1 87 87 ILE C C 320 179.300 179.300 177.946 1.354 17867
2260 1 13 . 1 1 87 87 ILE CA C 320 64.350 64.350 65.174 -0.825 17867
2261 1 13 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.228 -0.288 17867
2262 1 13 . 1 1 87 87 ILE H H 320 7.428 7.428 7.720 -0.292 17867
2263 1 13 . 1 1 88 88 LEU N N 321 119.705 119.705 119.212 0.493 17867
2264 1 13 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.904 -0.054 17867
2265 1 13 . 1 1 88 88 LEU C C 321 178.600 178.600 178.795 -0.195 17867
2266 1 13 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.633 -0.043 17867
2267 1 13 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.917 1.073 17867
2268 1 13 . 1 1 88 88 LEU H H 321 8.231 8.231 8.234 -0.003 17867
2269 1 13 . 1 1 89 89 ARG N N 322 116.816 116.816 118.354 -1.538 17867
2270 1 13 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.054 -0.264 17867
2271 1 13 . 1 1 89 89 ARG C C 322 177.500 177.500 177.538 -0.038 17867
2272 1 13 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.814 0.366 17867
2273 1 13 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.260 -0.330 17867
2274 1 13 . 1 1 89 89 ARG H H 322 8.068 8.068 7.674 0.394 17867
2275 1 13 . 1 1 90 90 GLN N N 323 114.097 114.097 116.430 -2.333 17867
2276 1 13 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.450 -0.030 17867
2277 1 13 . 1 1 90 90 GLN C C 323 175.300 175.300 176.089 -0.789 17867
2278 1 13 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.647 -0.457 17867
2279 1 13 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.491 -0.611 17867
2280 1 13 . 1 1 90 90 GLN H H 323 7.275 7.275 7.587 -0.311 17867
2281 1 13 . 1 1 91 91 ALA N N 324 124.443 124.443 124.731 -0.288 17867
2282 1 13 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.546 0.114 17867
2283 1 13 . 1 1 91 91 ALA C C 324 174.300 174.300 175.410 -1.110 17867
2284 1 13 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.658 -0.258 17867
2285 1 13 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.782 0.148 17867
2286 1 13 . 1 1 91 91 ALA H H 324 7.634 7.634 7.660 -0.026 17867
2287 1 13 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.430 1.390 17867
2288 1 13 . 1 1 93 93 PRO C C 326 178.300 178.300 177.908 0.392 17867
2289 1 13 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.732 -1.002 17867
2290 1 13 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.488 0.302 17867
2291 1 13 . 1 1 94 94 SER N N 327 111.738 111.738 110.241 1.497 17867
2292 1 13 . 1 1 94 94 SER HA H 327 4.100 4.100 4.248 -0.148 17867
2293 1 13 . 1 1 94 94 SER C C 327 175.800 175.800 175.556 0.244 17867
2294 1 13 . 1 1 94 94 SER CA C 327 60.170 60.170 60.212 -0.042 17867
2295 1 13 . 1 1 94 94 SER CB C 327 62.070 62.070 62.751 -0.681 17867
2296 1 13 . 1 1 94 94 SER H H 327 7.938 7.938 8.152 -0.214 17867
2297 1 13 . 1 1 95 95 GLU N N 328 119.807 119.807 120.489 -0.682 17867
2298 1 13 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.606 -0.076 17867
2299 1 13 . 1 1 95 95 GLU C C 328 176.500 176.500 176.490 0.010 17867
2300 1 13 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.354 0.206 17867
2301 1 13 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.606 1.104 17867
2302 1 13 . 1 1 95 95 GLU H H 328 8.201 8.201 7.781 0.420 17867
2303 1 13 . 1 1 96 96 TYR N N 329 118.008 118.008 120.236 -2.228 17867
2304 1 13 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.152 0.048 17867
2305 1 13 . 1 1 96 96 TYR C C 329 177.300 177.300 177.901 -0.601 17867
2306 1 13 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.920 -1.230 17867
2307 1 13 . 1 1 96 96 TYR CB C 329 37.030 37.030 38.052 -1.022 17867
2308 1 13 . 1 1 96 96 TYR H H 329 7.458 7.458 7.606 -0.148 17867
2309 1 13 . 1 1 97 97 GLU N N 330 117.216 117.216 118.840 -1.624 17867
2310 1 13 . 1 1 97 97 GLU HA H 330 3.870 3.870 4.025 -0.155 17867
2311 1 13 . 1 1 97 97 GLU C C 330 178.500 178.500 178.866 -0.366 17867
2312 1 13 . 1 1 97 97 GLU CA C 330 60.390 60.390 60.365 0.025 17867
2313 1 13 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.455 -0.555 17867
2314 1 13 . 1 1 97 97 GLU H H 330 8.679 8.679 8.721 -0.042 17867
2315 1 13 . 1 1 98 98 ARG N N 331 121.169 121.169 119.651 1.518 17867
2316 1 13 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.218 -0.088 17867
2317 1 13 . 1 1 98 98 ARG C C 331 178.900 178.900 179.177 -0.277 17867
2318 1 13 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.281 0.079 17867
2319 1 13 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.065 10.995 17867
2320 1 13 . 1 1 98 98 ARG H H 331 8.201 8.201 8.285 -0.084 17867
2321 1 13 . 1 1 99 99 ILE N N 332 120.544 120.544 119.627 0.917 17867
2322 1 13 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.761 0.069 17867
2323 1 13 . 1 1 99 99 ILE C C 332 178.400 178.400 177.923 0.477 17867
2324 1 13 . 1 1 99 99 ILE CA C 332 64.920 64.920 63.220 1.700 17867
2325 1 13 . 1 1 99 99 ILE CB C 332 38.310 38.310 36.828 1.482 17867
2326 1 13 . 1 1 99 99 ILE H H 332 8.320 8.320 8.245 0.075 17867
2327 1 13 . 1 1 100 100 ALA N N 333 122.141 122.141 123.729 -1.588 17867
2328 1 13 . 1 1 100 100 ALA HA H 333 3.820 3.820 3.958 -0.138 17867
2329 1 13 . 1 1 100 100 ALA C C 333 179.500 179.500 179.612 -0.112 17867
2330 1 13 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.235 0.405 17867
2331 1 13 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.177 0.063 17867
2332 1 13 . 1 1 100 100 ALA H H 333 8.709 8.709 7.936 0.773 17867
2333 1 13 . 1 1 101 101 PHE N N 334 118.102 118.102 117.161 0.941 17867
2334 1 13 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.567 -0.217 17867
2335 1 13 . 1 1 101 101 PHE C C 334 179.400 179.400 179.090 0.310 17867
2336 1 13 . 1 1 101 101 PHE CA C 334 60.710 60.710 60.342 0.368 17867
2337 1 13 . 1 1 101 101 PHE CB C 334 38.870 38.870 38.711 0.159 17867
2338 1 13 . 1 1 101 101 PHE H H 334 8.275 8.275 8.258 0.017 17867
2339 1 13 . 1 1 102 102 GLN N N 335 119.590 119.590 119.702 -0.112 17867
2340 1 13 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.070 -0.180 17867
2341 1 13 . 1 1 102 102 GLN C C 335 176.900 176.900 176.686 0.214 17867
2342 1 13 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.129 0.001 17867
2343 1 13 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.301 0.099 17867
2344 1 13 . 1 1 102 102 GLN H H 335 8.382 8.382 7.972 0.410 17867
2345 1 13 . 1 1 103 103 HIS N N 336 114.779 114.779 115.589 -0.810 17867
2346 1 13 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.764 -0.264 17867
2347 1 13 . 1 1 103 103 HIS C C 336 174.800 174.800 174.950 -0.150 17867
2348 1 13 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.590 1.050 17867
2349 1 13 . 1 1 103 103 HIS CB C 336 30.340 30.340 29.658 0.682 17867
2350 1 13 . 1 1 103 103 HIS H H 336 7.753 7.753 7.535 0.218 17867
2351 1 13 . 1 1 104 104 GLY N N 337 108.669 108.669 108.574 0.095 17867
2352 1 13 . 1 1 104 104 GLY C C 337 174.400 174.400 173.995 0.405 17867
2353 1 13 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.669 0.771 17867
2354 1 13 . 1 1 104 104 GLY H H 337 7.698 7.698 7.737 -0.039 17867
2355 1 13 . 1 1 105 105 VAL N N 338 120.862 120.862 121.800 -0.938 17867
2356 1 13 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.155 -0.155 17867
2357 1 13 . 1 1 105 105 VAL C C 338 175.900 175.900 175.735 0.165 17867
2358 1 13 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.698 0.762 17867
2359 1 13 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.281 -0.221 17867
2360 1 13 . 1 1 105 105 VAL H H 338 8.216 8.216 7.995 0.221 17867
2361 1 13 . 1 1 106 106 THR N N 339 117.786 117.786 117.459 0.327 17867
2362 1 13 . 1 1 106 106 THR HA H 339 4.340 4.340 3.864 0.476 17867
2363 1 13 . 1 1 106 106 THR C C 339 174.800 174.800 174.354 0.446 17867
2364 1 13 . 1 1 106 106 THR CA C 339 62.500 62.500 62.691 -0.191 17867
2365 1 13 . 1 1 106 106 THR CB C 339 69.300 69.300 69.417 -0.117 17867
2366 1 13 . 1 1 106 106 THR H H 339 8.285 8.285 8.498 -0.213 17867
2367 1 13 . 1 1 107 107 ASP N N 340 122.147 122.147 123.386 -1.239 17867
2368 1 13 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.725 -0.445 17867
2369 1 13 . 1 1 107 107 ASP C C 340 175.800 175.800 176.151 -0.351 17867
2370 1 13 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.772 -0.332 17867
2371 1 13 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.248 -0.228 17867
2372 1 13 . 1 1 107 107 ASP H H 340 8.068 8.068 7.760 0.308 17867
2373 1 13 . 1 1 108 108 LEU N N 341 125.614 125.614 126.743 -1.129 17867
2374 1 13 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.020 -0.060 17867
2375 1 13 . 1 1 108 108 LEU C C 341 178.200 178.200 177.900 0.300 17867
2376 1 13 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.215 0.325 17867
2377 1 13 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.327 -0.607 17867
2378 1 13 . 1 1 108 108 LEU H H 341 8.520 8.520 7.690 0.830 17867
2379 1 13 . 1 1 109 109 ARG N N 342 118.141 118.141 118.797 -0.656 17867
2380 1 13 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.974 -0.044 17867
2381 1 13 . 1 1 109 109 ARG C C 342 179.500 179.500 178.788 0.712 17867
2382 1 13 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.340 0.220 17867
2383 1 13 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.593 -0.043 17867
2384 1 13 . 1 1 109 109 ARG H H 342 8.501 8.501 8.424 0.077 17867
2385 1 13 . 1 1 110 110 GLY N N 343 108.347 108.347 107.731 0.616 17867
2386 1 13 . 1 1 110 110 GLY C C 343 176.300 176.300 176.129 0.171 17867
2387 1 13 . 1 1 110 110 GLY CA C 343 46.940 46.940 47.095 -0.155 17867
2388 1 13 . 1 1 110 110 GLY H H 343 8.353 8.353 8.904 -0.551 17867
2389 1 13 . 1 1 111 111 MET N N 344 122.736 122.736 120.581 2.155 17867
2390 1 13 . 1 1 111 111 MET HA H 344 4.170 4.170 4.372 -0.202 17867
2391 1 13 . 1 1 111 111 MET C C 344 177.800 177.800 178.333 -0.533 17867
2392 1 13 . 1 1 111 111 MET CA C 344 58.620 58.620 56.662 1.958 17867
2393 1 13 . 1 1 111 111 MET CB C 344 32.780 32.780 31.875 0.905 17867
2394 1 13 . 1 1 111 111 MET H H 344 7.984 7.984 7.362 0.622 17867
2395 1 13 . 1 1 112 112 LEU N N 345 118.666 118.666 119.912 -1.246 17867
2396 1 13 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.940 0.050 17867
2397 1 13 . 1 1 112 112 LEU C C 345 179.400 179.400 178.916 0.484 17867
2398 1 13 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.569 0.071 17867
2399 1 13 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.847 0.333 17867
2400 1 13 . 1 1 112 112 LEU H H 345 8.340 8.340 8.401 -0.061 17867
2401 1 13 . 1 1 113 113 LYS N N 346 119.190 119.190 119.826 -0.636 17867
2402 1 13 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.992 0.048 17867
2403 1 13 . 1 1 113 113 LYS C C 346 179.000 179.000 178.348 0.652 17867
2404 1 13 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.114 0.026 17867
2405 1 13 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.104 0.236 17867
2406 1 13 . 1 1 113 113 LYS H H 346 7.786 7.786 8.173 -0.387 17867
2407 1 13 . 1 1 114 114 ARG N N 347 119.664 119.664 117.596 2.068 17867
2408 1 13 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.743 0.337 17867
2409 1 13 . 1 1 114 114 ARG C C 347 178.600 178.600 177.545 1.055 17867
2410 1 13 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.551 0.819 17867
2411 1 13 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.736 0.384 17867
2412 1 13 . 1 1 114 114 ARG H H 347 7.786 7.786 7.344 0.442 17867
2413 1 13 . 1 1 115 115 LEU N N 348 120.259 120.259 119.876 0.383 17867
2414 1 13 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.252 -0.122 17867
2415 1 13 . 1 1 115 115 LEU C C 348 178.500 178.500 176.815 1.685 17867
2416 1 13 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.709 -0.709 17867
2417 1 13 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.541 -0.431 17867
2418 1 13 . 1 1 115 115 LEU H H 348 8.199 8.199 7.871 0.328 17867
2419 1 14 . 1 1 83 83 ASP N N 316 121.228 121.228 120.443 0.785 17867
2420 1 14 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.377 0.173 17867
2421 1 14 . 1 1 83 83 ASP C C 316 177.400 177.400 177.915 -0.515 17867
2422 1 14 . 1 1 83 83 ASP CA C 316 54.770 54.770 55.956 -1.186 17867
2423 1 14 . 1 1 83 83 ASP CB C 316 41.030 41.030 40.181 0.849 17867
2424 1 14 . 1 1 83 83 ASP H H 316 8.199 8.199 8.480 -0.281 17867
2425 1 14 . 1 1 84 84 VAL N N 317 121.668 121.668 118.132 3.536 17867
2426 1 14 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.492 -0.182 17867
2427 1 14 . 1 1 84 84 VAL C C 317 175.800 175.800 177.704 -1.904 17867
2428 1 14 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.372 -0.662 17867
2429 1 14 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.750 -0.710 17867
2430 1 14 . 1 1 84 84 VAL H H 317 8.096 8.096 7.980 0.116 17867
2431 1 14 . 1 1 85 85 TRP N N 318 121.197 121.197 117.762 3.435 17867
2432 1 14 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.372 -0.112 17867
2433 1 14 . 1 1 85 85 TRP C C 318 177.500 177.500 177.580 -0.080 17867
2434 1 14 . 1 1 85 85 TRP CA C 318 59.610 59.610 58.302 1.308 17867
2435 1 14 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.366 0.454 17867
2436 1 14 . 1 1 85 85 TRP H H 318 7.706 7.706 7.973 -0.267 17867
2437 1 14 . 1 1 86 86 GLU N N 319 117.895 117.895 121.391 -3.496 17867
2438 1 14 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.742 0.308 17867
2439 1 14 . 1 1 86 86 GLU C C 319 178.500 178.500 178.883 -0.383 17867
2440 1 14 . 1 1 86 86 GLU CA C 319 58.300 58.300 59.016 -0.716 17867
2441 1 14 . 1 1 86 86 GLU CB C 319 29.260 29.260 29.050 0.210 17867
2442 1 14 . 1 1 86 86 GLU H H 319 7.604 7.604 6.602 1.002 17867
2443 1 14 . 1 1 87 87 ILE N N 320 119.002 119.002 120.057 -1.055 17867
2444 1 14 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.742 -0.062 17867
2445 1 14 . 1 1 87 87 ILE C C 320 179.300 179.300 178.480 0.820 17867
2446 1 14 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.710 -0.360 17867
2447 1 14 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.131 -0.191 17867
2448 1 14 . 1 1 87 87 ILE H H 320 7.428 7.428 7.715 -0.287 17867
2449 1 14 . 1 1 88 88 LEU N N 321 119.705 119.705 119.538 0.167 17867
2450 1 14 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.941 -0.091 17867
2451 1 14 . 1 1 88 88 LEU C C 321 178.600 178.600 179.280 -0.680 17867
2452 1 14 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.536 0.054 17867
2453 1 14 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.942 1.048 17867
2454 1 14 . 1 1 88 88 LEU H H 321 8.231 8.231 8.018 0.213 17867
2455 1 14 . 1 1 89 89 ARG N N 322 116.816 116.816 119.173 -2.357 17867
2456 1 14 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.079 -0.289 17867
2457 1 14 . 1 1 89 89 ARG C C 322 177.500 177.500 177.481 0.019 17867
2458 1 14 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.860 0.320 17867
2459 1 14 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.265 -0.335 17867
2460 1 14 . 1 1 89 89 ARG H H 322 8.068 8.068 7.839 0.229 17867
2461 1 14 . 1 1 90 90 GLN N N 323 114.097 114.097 115.926 -1.829 17867
2462 1 14 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.425 -0.005 17867
2463 1 14 . 1 1 90 90 GLN C C 323 175.300 175.300 175.315 -0.015 17867
2464 1 14 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.209 -0.019 17867
2465 1 14 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.525 0.355 17867
2466 1 14 . 1 1 90 90 GLN H H 323 7.275 7.275 7.778 -0.503 17867
2467 1 14 . 1 1 91 91 ALA N N 324 124.443 124.443 124.664 -0.221 17867
2468 1 14 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.861 -0.201 17867
2469 1 14 . 1 1 91 91 ALA C C 324 174.300 174.300 175.283 -0.983 17867
2470 1 14 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.676 0.724 17867
2471 1 14 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.198 -0.268 17867
2472 1 14 . 1 1 91 91 ALA H H 324 7.634 7.634 7.625 0.009 17867
2473 1 14 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.511 1.309 17867
2474 1 14 . 1 1 93 93 PRO C C 326 178.300 178.300 177.840 0.460 17867
2475 1 14 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.329 -0.599 17867
2476 1 14 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.473 0.318 17867
2477 1 14 . 1 1 94 94 SER N N 327 111.738 111.738 113.120 -1.382 17867
2478 1 14 . 1 1 94 94 SER HA H 327 4.100 4.100 4.260 -0.160 17867
2479 1 14 . 1 1 94 94 SER C C 327 175.800 175.800 175.488 0.312 17867
2480 1 14 . 1 1 94 94 SER CA C 327 60.170 60.170 60.088 0.082 17867
2481 1 14 . 1 1 94 94 SER CB C 327 62.070 62.070 62.788 -0.718 17867
2482 1 14 . 1 1 94 94 SER H H 327 7.938 7.938 7.941 -0.003 17867
2483 1 14 . 1 1 95 95 GLU N N 328 119.807 119.807 119.639 0.168 17867
2484 1 14 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.544 -0.014 17867
2485 1 14 . 1 1 95 95 GLU C C 328 176.500 176.500 176.469 0.031 17867
2486 1 14 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.434 0.126 17867
2487 1 14 . 1 1 95 95 GLU CB C 328 30.710 30.710 30.167 0.543 17867
2488 1 14 . 1 1 95 95 GLU H H 328 8.201 8.201 7.486 0.715 17867
2489 1 14 . 1 1 96 96 TYR N N 329 118.008 118.008 119.976 -1.968 17867
2490 1 14 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.086 0.114 17867
2491 1 14 . 1 1 96 96 TYR C C 329 177.300 177.300 177.791 -0.491 17867
2492 1 14 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.105 -1.415 17867
2493 1 14 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.950 -0.920 17867
2494 1 14 . 1 1 96 96 TYR H H 329 7.458 7.458 7.417 0.041 17867
2495 1 14 . 1 1 97 97 GLU N N 330 117.216 117.216 118.575 -1.359 17867
2496 1 14 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.512 0.358 17867
2497 1 14 . 1 1 97 97 GLU C C 330 178.500 178.500 178.438 0.062 17867
2498 1 14 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.706 0.684 17867
2499 1 14 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.952 -0.052 17867
2500 1 14 . 1 1 97 97 GLU H H 330 8.679 8.679 8.665 0.014 17867
2501 1 14 . 1 1 98 98 ARG N N 331 121.169 121.169 119.505 1.664 17867
2502 1 14 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.071 0.059 17867
2503 1 14 . 1 1 98 98 ARG C C 331 178.900 178.900 179.109 -0.209 17867
2504 1 14 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.029 0.332 17867
2505 1 14 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.127 10.933 17867
2506 1 14 . 1 1 98 98 ARG H H 331 8.201 8.201 8.040 0.161 17867
2507 1 14 . 1 1 99 99 ILE N N 332 120.544 120.544 119.946 0.598 17867
2508 1 14 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.661 0.169 17867
2509 1 14 . 1 1 99 99 ILE C C 332 178.400 178.400 177.490 0.910 17867
2510 1 14 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.695 0.225 17867
2511 1 14 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.914 0.396 17867
2512 1 14 . 1 1 99 99 ILE H H 332 8.320 8.320 8.297 0.023 17867
2513 1 14 . 1 1 100 100 ALA N N 333 122.141 122.141 123.154 -1.013 17867
2514 1 14 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.110 -0.290 17867
2515 1 14 . 1 1 100 100 ALA C C 333 179.500 179.500 179.808 -0.308 17867
2516 1 14 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.360 0.280 17867
2517 1 14 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.293 -0.053 17867
2518 1 14 . 1 1 100 100 ALA H H 333 8.709 8.709 7.910 0.799 17867
2519 1 14 . 1 1 101 101 PHE N N 334 118.102 118.102 116.652 1.450 17867
2520 1 14 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.429 -0.079 17867
2521 1 14 . 1 1 101 101 PHE C C 334 179.400 179.400 178.438 0.962 17867
2522 1 14 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.160 2.550 17867
2523 1 14 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.882 0.988 17867
2524 1 14 . 1 1 101 101 PHE H H 334 8.275 8.275 8.089 0.186 17867
2525 1 14 . 1 1 102 102 GLN N N 335 119.590 119.590 117.961 1.629 17867
2526 1 14 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.066 -0.176 17867
2527 1 14 . 1 1 102 102 GLN C C 335 176.900 176.900 177.365 -0.465 17867
2528 1 14 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.941 0.189 17867
2529 1 14 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.312 0.088 17867
2530 1 14 . 1 1 102 102 GLN H H 335 8.382 8.382 7.685 0.697 17867
2531 1 14 . 1 1 103 103 HIS N N 336 114.779 114.779 116.583 -1.804 17867
2532 1 14 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.722 -0.222 17867
2533 1 14 . 1 1 103 103 HIS C C 336 174.800 174.800 175.303 -0.503 17867
2534 1 14 . 1 1 103 103 HIS CA C 336 56.640 56.640 56.276 0.363 17867
2535 1 14 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.143 0.197 17867
2536 1 14 . 1 1 103 103 HIS H H 336 7.753 7.753 7.616 0.137 17867
2537 1 14 . 1 1 104 104 GLY N N 337 108.669 108.669 107.867 0.802 17867
2538 1 14 . 1 1 104 104 GLY C C 337 174.400 174.400 174.172 0.228 17867
2539 1 14 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.374 1.066 17867
2540 1 14 . 1 1 104 104 GLY H H 337 7.698 7.698 7.550 0.148 17867
2541 1 14 . 1 1 105 105 VAL N N 338 120.862 120.862 122.113 -1.251 17867
2542 1 14 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.260 -0.260 17867
2543 1 14 . 1 1 105 105 VAL C C 338 175.900 175.900 176.032 -0.132 17867
2544 1 14 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.345 0.115 17867
2545 1 14 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.376 -0.316 17867
2546 1 14 . 1 1 105 105 VAL H H 338 8.216 8.216 8.235 -0.019 17867
2547 1 14 . 1 1 106 106 THR N N 339 117.786 117.786 117.567 0.219 17867
2548 1 14 . 1 1 106 106 THR HA H 339 4.340 4.340 4.544 -0.204 17867
2549 1 14 . 1 1 106 106 THR C C 339 174.800 174.800 174.878 -0.078 17867
2550 1 14 . 1 1 106 106 THR CA C 339 62.500 62.500 62.975 -0.475 17867
2551 1 14 . 1 1 106 106 THR CB C 339 69.300 69.300 69.491 -0.191 17867
2552 1 14 . 1 1 106 106 THR H H 339 8.285 8.285 8.592 -0.307 17867
2553 1 14 . 1 1 107 107 ASP N N 340 122.147 122.147 123.920 -1.773 17867
2554 1 14 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.783 -0.503 17867
2555 1 14 . 1 1 107 107 ASP C C 340 175.800 175.800 176.367 -0.567 17867
2556 1 14 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.968 -0.527 17867
2557 1 14 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.952 0.068 17867
2558 1 14 . 1 1 107 107 ASP H H 340 8.068 8.068 8.009 0.059 17867
2559 1 14 . 1 1 108 108 LEU N N 341 125.614 125.614 126.114 -0.500 17867
2560 1 14 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.080 -0.120 17867
2561 1 14 . 1 1 108 108 LEU C C 341 178.200 178.200 177.904 0.296 17867
2562 1 14 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.363 0.177 17867
2563 1 14 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.320 -0.600 17867
2564 1 14 . 1 1 108 108 LEU H H 341 8.520 8.520 7.768 0.752 17867
2565 1 14 . 1 1 109 109 ARG N N 342 118.141 118.141 118.699 -0.558 17867
2566 1 14 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.974 -0.044 17867
2567 1 14 . 1 1 109 109 ARG C C 342 179.500 179.500 178.815 0.685 17867
2568 1 14 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.410 0.150 17867
2569 1 14 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.536 0.014 17867
2570 1 14 . 1 1 109 109 ARG H H 342 8.501 8.501 8.540 -0.039 17867
2571 1 14 . 1 1 110 110 GLY N N 343 108.347 108.347 107.823 0.524 17867
2572 1 14 . 1 1 110 110 GLY C C 343 176.300 176.300 176.311 -0.011 17867
2573 1 14 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.919 0.021 17867
2574 1 14 . 1 1 110 110 GLY H H 343 8.353 8.353 8.859 -0.506 17867
2575 1 14 . 1 1 111 111 MET N N 344 122.736 122.736 120.727 2.009 17867
2576 1 14 . 1 1 111 111 MET HA H 344 4.170 4.170 4.357 -0.187 17867
2577 1 14 . 1 1 111 111 MET C C 344 177.800 177.800 178.496 -0.696 17867
2578 1 14 . 1 1 111 111 MET CA C 344 58.620 58.620 56.692 1.928 17867
2579 1 14 . 1 1 111 111 MET CB C 344 32.780 32.780 31.875 0.905 17867
2580 1 14 . 1 1 111 111 MET H H 344 7.984 7.984 7.564 0.420 17867
2581 1 14 . 1 1 112 112 LEU N N 345 118.666 118.666 119.974 -1.308 17867
2582 1 14 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.934 0.056 17867
2583 1 14 . 1 1 112 112 LEU C C 345 179.400 179.400 178.849 0.551 17867
2584 1 14 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.513 0.127 17867
2585 1 14 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.876 0.304 17867
2586 1 14 . 1 1 112 112 LEU H H 345 8.340 8.340 8.552 -0.212 17867
2587 1 14 . 1 1 113 113 LYS N N 346 119.190 119.190 119.865 -0.675 17867
2588 1 14 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.976 0.064 17867
2589 1 14 . 1 1 113 113 LYS C C 346 179.000 179.000 178.365 0.635 17867
2590 1 14 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.168 -0.028 17867
2591 1 14 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.109 0.231 17867
2592 1 14 . 1 1 113 113 LYS H H 346 7.786 7.786 8.050 -0.264 17867
2593 1 14 . 1 1 114 114 ARG N N 347 119.664 119.664 117.820 1.844 17867
2594 1 14 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.743 0.338 17867
2595 1 14 . 1 1 114 114 ARG C C 347 178.600 178.600 177.678 0.922 17867
2596 1 14 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.683 0.687 17867
2597 1 14 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.756 0.364 17867
2598 1 14 . 1 1 114 114 ARG H H 347 7.786 7.786 7.330 0.456 17867
2599 1 14 . 1 1 115 115 LEU N N 348 120.259 120.259 120.731 -0.472 17867
2600 1 14 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.261 -0.131 17867
2601 1 14 . 1 1 115 115 LEU C C 348 178.500 178.500 177.300 1.200 17867
2602 1 14 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.572 -0.572 17867
2603 1 14 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.495 -0.385 17867
2604 1 14 . 1 1 115 115 LEU H H 348 8.199 8.199 8.029 0.170 17867
2605 1 15 . 1 1 83 83 ASP N N 316 121.228 121.228 119.046 2.182 17867
2606 1 15 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.490 0.060 17867
2607 1 15 . 1 1 83 83 ASP C C 316 177.400 177.400 176.750 0.650 17867
2608 1 15 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.922 0.848 17867
2609 1 15 . 1 1 83 83 ASP CB C 316 41.030 41.030 40.021 1.009 17867
2610 1 15 . 1 1 83 83 ASP H H 316 8.199 8.199 8.500 -0.301 17867
2611 1 15 . 1 1 84 84 VAL N N 317 121.668 121.668 120.597 1.071 17867
2612 1 15 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.554 -0.244 17867
2613 1 15 . 1 1 84 84 VAL C C 317 175.800 175.800 176.022 -0.222 17867
2614 1 15 . 1 1 84 84 VAL CA C 317 64.710 64.710 64.234 0.476 17867
2615 1 15 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.777 -0.737 17867
2616 1 15 . 1 1 84 84 VAL H H 317 8.096 8.096 8.155 -0.059 17867
2617 1 15 . 1 1 85 85 TRP N N 318 121.197 121.197 118.046 3.151 17867
2618 1 15 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.261 -0.001 17867
2619 1 15 . 1 1 85 85 TRP C C 318 177.500 177.500 177.145 0.355 17867
2620 1 15 . 1 1 85 85 TRP CA C 318 59.610 59.610 58.758 0.852 17867
2621 1 15 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.157 0.663 17867
2622 1 15 . 1 1 85 85 TRP H H 318 7.706 7.706 7.988 -0.282 17867
2623 1 15 . 1 1 86 86 GLU N N 319 117.895 117.895 119.731 -1.836 17867
2624 1 15 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.684 0.366 17867
2625 1 15 . 1 1 86 86 GLU C C 319 178.500 178.500 178.171 0.329 17867
2626 1 15 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.275 0.025 17867
2627 1 15 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.797 0.463 17867
2628 1 15 . 1 1 86 86 GLU H H 319 7.604 7.604 6.856 0.748 17867
2629 1 15 . 1 1 87 87 ILE N N 320 119.002 119.002 119.247 -0.245 17867
2630 1 15 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.769 -0.089 17867
2631 1 15 . 1 1 87 87 ILE C C 320 179.300 179.300 178.111 1.189 17867
2632 1 15 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.090 0.260 17867
2633 1 15 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.184 -0.244 17867
2634 1 15 . 1 1 87 87 ILE H H 320 7.428 7.428 7.320 0.108 17867
2635 1 15 . 1 1 88 88 LEU N N 321 119.705 119.705 118.800 0.905 17867
2636 1 15 . 1 1 88 88 LEU HA H 321 3.850 3.850 4.093 -0.243 17867
2637 1 15 . 1 1 88 88 LEU C C 321 178.600 178.600 179.200 -0.600 17867
2638 1 15 . 1 1 88 88 LEU CA C 321 57.590 57.590 56.872 0.718 17867
2639 1 15 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.744 1.246 17867
2640 1 15 . 1 1 88 88 LEU H H 321 8.231 8.231 8.046 0.185 17867
2641 1 15 . 1 1 89 89 ARG N N 322 116.816 116.816 120.585 -3.769 17867
2642 1 15 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.093 -0.303 17867
2643 1 15 . 1 1 89 89 ARG C C 322 177.500 177.500 177.397 0.103 17867
2644 1 15 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.983 0.198 17867
2645 1 15 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.189 -0.259 17867
2646 1 15 . 1 1 89 89 ARG H H 322 8.068 8.068 7.624 0.444 17867
2647 1 15 . 1 1 90 90 GLN N N 323 114.097 114.097 116.377 -2.280 17867
2648 1 15 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.516 -0.096 17867
2649 1 15 . 1 1 90 90 GLN C C 323 175.300 175.300 175.359 -0.059 17867
2650 1 15 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.412 -0.222 17867
2651 1 15 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.701 0.179 17867
2652 1 15 . 1 1 90 90 GLN H H 323 7.275 7.275 7.681 -0.406 17867
2653 1 15 . 1 1 91 91 ALA N N 324 124.443 124.443 123.988 0.455 17867
2654 1 15 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.795 -0.135 17867
2655 1 15 . 1 1 91 91 ALA C C 324 174.300 174.300 174.993 -0.693 17867
2656 1 15 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.542 0.858 17867
2657 1 15 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.117 -0.187 17867
2658 1 15 . 1 1 91 91 ALA H H 324 7.634 7.634 7.519 0.115 17867
2659 1 15 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.587 1.233 17867
2660 1 15 . 1 1 93 93 PRO C C 326 178.300 178.300 177.919 0.381 17867
2661 1 15 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.851 -1.121 17867
2662 1 15 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.375 0.415 17867
2663 1 15 . 1 1 94 94 SER N N 327 111.738 111.738 110.264 1.474 17867
2664 1 15 . 1 1 94 94 SER HA H 327 4.100 4.100 4.179 -0.079 17867
2665 1 15 . 1 1 94 94 SER C C 327 175.800 175.800 175.398 0.402 17867
2666 1 15 . 1 1 94 94 SER CA C 327 60.170 60.170 60.682 -0.512 17867
2667 1 15 . 1 1 94 94 SER CB C 327 62.070 62.070 62.300 -0.230 17867
2668 1 15 . 1 1 94 94 SER H H 327 7.938 7.938 8.173 -0.235 17867
2669 1 15 . 1 1 95 95 GLU N N 328 119.807 119.807 119.673 0.134 17867
2670 1 15 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.541 -0.011 17867
2671 1 15 . 1 1 95 95 GLU C C 328 176.500 176.500 177.633 -1.133 17867
2672 1 15 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.651 -0.091 17867
2673 1 15 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.268 1.442 17867
2674 1 15 . 1 1 95 95 GLU H H 328 8.201 8.201 7.837 0.364 17867
2675 1 15 . 1 1 96 96 TYR N N 329 118.008 118.008 120.466 -2.458 17867
2676 1 15 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.045 0.155 17867
2677 1 15 . 1 1 96 96 TYR C C 329 177.300 177.300 177.575 -0.275 17867
2678 1 15 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.181 -1.491 17867
2679 1 15 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.593 -0.563 17867
2680 1 15 . 1 1 96 96 TYR H H 329 7.458 7.458 7.369 0.089 17867
2681 1 15 . 1 1 97 97 GLU N N 330 117.216 117.216 118.678 -1.462 17867
2682 1 15 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.639 0.231 17867
2683 1 15 . 1 1 97 97 GLU C C 330 178.500 178.500 178.472 0.028 17867
2684 1 15 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.597 0.793 17867
2685 1 15 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.118 -0.218 17867
2686 1 15 . 1 1 97 97 GLU H H 330 8.679 8.679 8.716 -0.037 17867
2687 1 15 . 1 1 98 98 ARG N N 331 121.169 121.169 118.520 2.649 17867
2688 1 15 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.028 0.102 17867
2689 1 15 . 1 1 98 98 ARG C C 331 178.900 178.900 179.273 -0.373 17867
2690 1 15 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.963 0.397 17867
2691 1 15 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.244 10.816 17867
2692 1 15 . 1 1 98 98 ARG H H 331 8.201 8.201 8.087 0.114 17867
2693 1 15 . 1 1 99 99 ILE N N 332 120.544 120.544 119.830 0.714 17867
2694 1 15 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.837 -0.007 17867
2695 1 15 . 1 1 99 99 ILE C C 332 178.400 178.400 177.730 0.670 17867
2696 1 15 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.787 0.133 17867
2697 1 15 . 1 1 99 99 ILE CB C 332 38.310 38.310 38.094 0.216 17867
2698 1 15 . 1 1 99 99 ILE H H 332 8.320 8.320 8.310 0.010 17867
2699 1 15 . 1 1 100 100 ALA N N 333 122.141 122.141 123.122 -0.981 17867
2700 1 15 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.087 -0.267 17867
2701 1 15 . 1 1 100 100 ALA C C 333 179.500 179.500 179.939 -0.439 17867
2702 1 15 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.275 0.365 17867
2703 1 15 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.341 -0.101 17867
2704 1 15 . 1 1 100 100 ALA H H 333 8.709 8.709 7.908 0.801 17867
2705 1 15 . 1 1 101 101 PHE N N 334 118.102 118.102 115.902 2.200 17867
2706 1 15 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.416 -0.066 17867
2707 1 15 . 1 1 101 101 PHE C C 334 179.400 179.400 178.938 0.462 17867
2708 1 15 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.590 2.119 17867
2709 1 15 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.930 0.940 17867
2710 1 15 . 1 1 101 101 PHE H H 334 8.275 8.275 7.899 0.376 17867
2711 1 15 . 1 1 102 102 GLN N N 335 119.590 119.590 117.791 1.799 17867
2712 1 15 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.134 -0.244 17867
2713 1 15 . 1 1 102 102 GLN C C 335 176.900 176.900 176.606 0.294 17867
2714 1 15 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.009 0.121 17867
2715 1 15 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.523 -0.123 17867
2716 1 15 . 1 1 102 102 GLN H H 335 8.382 8.382 7.924 0.458 17867
2717 1 15 . 1 1 103 103 HIS N N 336 114.779 114.779 115.805 -1.026 17867
2718 1 15 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.752 -0.252 17867
2719 1 15 . 1 1 103 103 HIS C C 336 174.800 174.800 174.951 -0.151 17867
2720 1 15 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.145 1.495 17867
2721 1 15 . 1 1 103 103 HIS CB C 336 30.340 30.340 29.919 0.421 17867
2722 1 15 . 1 1 103 103 HIS H H 336 7.753 7.753 7.642 0.111 17867
2723 1 15 . 1 1 104 104 GLY N N 337 108.669 108.669 107.431 1.238 17867
2724 1 15 . 1 1 104 104 GLY C C 337 174.400 174.400 174.369 0.031 17867
2725 1 15 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.478 0.961 17867
2726 1 15 . 1 1 104 104 GLY H H 337 7.698 7.698 7.692 0.006 17867
2727 1 15 . 1 1 105 105 VAL N N 338 120.862 120.862 121.359 -0.497 17867
2728 1 15 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.354 -0.354 17867
2729 1 15 . 1 1 105 105 VAL C C 338 175.900 175.900 175.742 0.158 17867
2730 1 15 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.530 0.930 17867
2731 1 15 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.336 -0.276 17867
2732 1 15 . 1 1 105 105 VAL H H 338 8.216 8.216 8.206 0.010 17867
2733 1 15 . 1 1 106 106 THR N N 339 117.786 117.786 117.671 0.115 17867
2734 1 15 . 1 1 106 106 THR HA H 339 4.340 4.340 4.576 -0.236 17867
2735 1 15 . 1 1 106 106 THR C C 339 174.800 174.800 174.836 -0.036 17867
2736 1 15 . 1 1 106 106 THR CA C 339 62.500 62.500 62.930 -0.430 17867
2737 1 15 . 1 1 106 106 THR CB C 339 69.300 69.300 69.534 -0.234 17867
2738 1 15 . 1 1 106 106 THR H H 339 8.285 8.285 8.597 -0.312 17867
2739 1 15 . 1 1 107 107 ASP N N 340 122.147 122.147 124.014 -1.867 17867
2740 1 15 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.779 -0.499 17867
2741 1 15 . 1 1 107 107 ASP C C 340 175.800 175.800 176.300 -0.500 17867
2742 1 15 . 1 1 107 107 ASP CA C 340 52.440 52.440 53.001 -0.561 17867
2743 1 15 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.938 0.082 17867
2744 1 15 . 1 1 107 107 ASP H H 340 8.068 8.068 8.023 0.045 17867
2745 1 15 . 1 1 108 108 LEU N N 341 125.614 125.614 125.924 -0.310 17867
2746 1 15 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.092 -0.132 17867
2747 1 15 . 1 1 108 108 LEU C C 341 178.200 178.200 177.837 0.363 17867
2748 1 15 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.249 0.291 17867
2749 1 15 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.331 -0.611 17867
2750 1 15 . 1 1 108 108 LEU H H 341 8.520 8.520 7.814 0.706 17867
2751 1 15 . 1 1 109 109 ARG N N 342 118.141 118.141 118.846 -0.705 17867
2752 1 15 . 1 1 109 109 ARG HA H 342 3.930 3.930 4.000 -0.070 17867
2753 1 15 . 1 1 109 109 ARG C C 342 179.500 179.500 178.878 0.622 17867
2754 1 15 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.418 0.142 17867
2755 1 15 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.600 -0.050 17867
2756 1 15 . 1 1 109 109 ARG H H 342 8.501 8.501 8.525 -0.024 17867
2757 1 15 . 1 1 110 110 GLY N N 343 108.347 108.347 108.029 0.318 17867
2758 1 15 . 1 1 110 110 GLY C C 343 176.300 176.300 176.235 0.065 17867
2759 1 15 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.920 0.020 17867
2760 1 15 . 1 1 110 110 GLY H H 343 8.353 8.353 8.846 -0.493 17867
2761 1 15 . 1 1 111 111 MET N N 344 122.736 122.736 121.312 1.424 17867
2762 1 15 . 1 1 111 111 MET HA H 344 4.170 4.170 4.319 -0.149 17867
2763 1 15 . 1 1 111 111 MET C C 344 177.800 177.800 178.256 -0.456 17867
2764 1 15 . 1 1 111 111 MET CA C 344 58.620 58.620 56.786 1.834 17867
2765 1 15 . 1 1 111 111 MET CB C 344 32.780 32.780 32.027 0.753 17867
2766 1 15 . 1 1 111 111 MET H H 344 7.984 7.984 7.559 0.425 17867
2767 1 15 . 1 1 112 112 LEU N N 345 118.666 118.666 118.810 -0.144 17867
2768 1 15 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.944 0.046 17867
2769 1 15 . 1 1 112 112 LEU C C 345 179.400 179.400 178.818 0.582 17867
2770 1 15 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.143 0.497 17867
2771 1 15 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.852 0.328 17867
2772 1 15 . 1 1 112 112 LEU H H 345 8.340 8.340 8.632 -0.292 17867
2773 1 15 . 1 1 113 113 LYS N N 346 119.190 119.190 121.137 -1.947 17867
2774 1 15 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.999 0.041 17867
2775 1 15 . 1 1 113 113 LYS C C 346 179.000 179.000 178.148 0.852 17867
2776 1 15 . 1 1 113 113 LYS CA C 346 59.140 59.140 58.895 0.245 17867
2777 1 15 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.208 0.132 17867
2778 1 15 . 1 1 113 113 LYS H H 346 7.786 7.786 8.015 -0.229 17867
2779 1 15 . 1 1 114 114 ARG N N 347 119.664 119.664 117.875 1.789 17867
2780 1 15 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.713 0.367 17867
2781 1 15 . 1 1 114 114 ARG C C 347 178.600 178.600 177.480 1.120 17867
2782 1 15 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.749 0.621 17867
2783 1 15 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.831 0.289 17867
2784 1 15 . 1 1 114 114 ARG H H 347 7.786 7.786 7.493 0.293 17867
2785 1 15 . 1 1 115 115 LEU N N 348 120.259 120.259 119.069 1.190 17867
2786 1 15 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.030 0.100 17867
2787 1 15 . 1 1 115 115 LEU C C 348 178.500 178.500 176.684 1.816 17867
2788 1 15 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.485 0.515 17867
2789 1 15 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.238 -0.128 17867
2790 1 15 . 1 1 115 115 LEU H H 348 8.199 8.199 7.545 0.654 17867
2791 1 16 . 1 1 83 83 ASP N N 316 121.228 121.228 121.304 -0.076 17867
2792 1 16 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.560 -0.010 17867
2793 1 16 . 1 1 83 83 ASP C C 316 177.400 177.400 177.046 0.354 17867
2794 1 16 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.855 0.915 17867
2795 1 16 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.459 -0.429 17867
2796 1 16 . 1 1 83 83 ASP H H 316 8.199 8.199 8.277 -0.078 17867
2797 1 16 . 1 1 84 84 VAL N N 317 121.668 121.668 119.961 1.707 17867
2798 1 16 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.525 -0.215 17867
2799 1 16 . 1 1 84 84 VAL C C 317 175.800 175.800 177.608 -1.808 17867
2800 1 16 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.866 -1.156 17867
2801 1 16 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.912 -0.872 17867
2802 1 16 . 1 1 84 84 VAL H H 317 8.096 8.096 8.735 -0.639 17867
2803 1 16 . 1 1 85 85 TRP N N 318 121.197 121.197 118.654 2.543 17867
2804 1 16 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.231 0.029 17867
2805 1 16 . 1 1 85 85 TRP C C 318 177.500 177.500 177.247 0.253 17867
2806 1 16 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.223 0.387 17867
2807 1 16 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.381 0.439 17867
2808 1 16 . 1 1 85 85 TRP H H 318 7.706 7.706 8.365 -0.659 17867
2809 1 16 . 1 1 86 86 GLU N N 319 117.895 117.895 121.469 -3.574 17867
2810 1 16 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.735 0.315 17867
2811 1 16 . 1 1 86 86 GLU C C 319 178.500 178.500 178.358 0.142 17867
2812 1 16 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.548 -0.248 17867
2813 1 16 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.599 0.661 17867
2814 1 16 . 1 1 86 86 GLU H H 319 7.604 7.604 7.023 0.581 17867
2815 1 16 . 1 1 87 87 ILE N N 320 119.002 119.002 120.110 -1.108 17867
2816 1 16 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.720 -0.040 17867
2817 1 16 . 1 1 87 87 ILE C C 320 179.300 179.300 178.212 1.088 17867
2818 1 16 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.930 -0.580 17867
2819 1 16 . 1 1 87 87 ILE CB C 320 37.940 37.940 37.984 -0.044 17867
2820 1 16 . 1 1 87 87 ILE H H 320 7.428 7.428 7.628 -0.200 17867
2821 1 16 . 1 1 88 88 LEU N N 321 119.705 119.705 118.477 1.228 17867
2822 1 16 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.978 -0.128 17867
2823 1 16 . 1 1 88 88 LEU C C 321 178.600 178.600 179.067 -0.467 17867
2824 1 16 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.212 0.378 17867
2825 1 16 . 1 1 88 88 LEU CB C 321 41.990 41.990 41.109 0.881 17867
2826 1 16 . 1 1 88 88 LEU H H 321 8.231 8.231 8.006 0.225 17867
2827 1 16 . 1 1 89 89 ARG N N 322 116.816 116.816 119.800 -2.984 17867
2828 1 16 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.078 -0.288 17867
2829 1 16 . 1 1 89 89 ARG C C 322 177.500 177.500 177.130 0.370 17867
2830 1 16 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.882 0.298 17867
2831 1 16 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.356 -0.426 17867
2832 1 16 . 1 1 89 89 ARG H H 322 8.068 8.068 7.579 0.489 17867
2833 1 16 . 1 1 90 90 GLN N N 323 114.097 114.097 116.397 -2.300 17867
2834 1 16 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.431 -0.011 17867
2835 1 16 . 1 1 90 90 GLN C C 323 175.300 175.300 174.788 0.512 17867
2836 1 16 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.159 0.031 17867
2837 1 16 . 1 1 90 90 GLN CB C 323 29.880 29.880 28.690 1.190 17867
2838 1 16 . 1 1 90 90 GLN H H 323 7.275 7.275 7.972 -0.697 17867
2839 1 16 . 1 1 91 91 ALA N N 324 124.443 124.443 124.207 0.236 17867
2840 1 16 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.946 -0.286 17867
2841 1 16 . 1 1 91 91 ALA C C 324 174.300 174.300 175.051 -0.751 17867
2842 1 16 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.529 0.871 17867
2843 1 16 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.962 -1.032 17867
2844 1 16 . 1 1 91 91 ALA H H 324 7.634 7.634 7.743 -0.109 17867
2845 1 16 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.487 1.333 17867
2846 1 16 . 1 1 93 93 PRO C C 326 178.300 178.300 177.714 0.586 17867
2847 1 16 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.176 -0.446 17867
2848 1 16 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.509 0.282 17867
2849 1 16 . 1 1 94 94 SER N N 327 111.738 111.738 113.136 -1.398 17867
2850 1 16 . 1 1 94 94 SER HA H 327 4.100 4.100 4.266 -0.166 17867
2851 1 16 . 1 1 94 94 SER C C 327 175.800 175.800 175.356 0.444 17867
2852 1 16 . 1 1 94 94 SER CA C 327 60.170 60.170 59.908 0.262 17867
2853 1 16 . 1 1 94 94 SER CB C 327 62.070 62.070 62.919 -0.849 17867
2854 1 16 . 1 1 94 94 SER H H 327 7.938 7.938 7.885 0.053 17867
2855 1 16 . 1 1 95 95 GLU N N 328 119.807 119.807 119.948 -0.141 17867
2856 1 16 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.592 -0.062 17867
2857 1 16 . 1 1 95 95 GLU C C 328 176.500 176.500 175.913 0.587 17867
2858 1 16 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.133 0.427 17867
2859 1 16 . 1 1 95 95 GLU CB C 328 30.710 30.710 30.102 0.608 17867
2860 1 16 . 1 1 95 95 GLU H H 328 8.201 8.201 7.435 0.766 17867
2861 1 16 . 1 1 96 96 TYR N N 329 118.008 118.008 120.286 -2.278 17867
2862 1 16 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.143 0.057 17867
2863 1 16 . 1 1 96 96 TYR C C 329 177.300 177.300 177.728 -0.428 17867
2864 1 16 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.495 -1.805 17867
2865 1 16 . 1 1 96 96 TYR CB C 329 37.030 37.030 38.235 -1.205 17867
2866 1 16 . 1 1 96 96 TYR H H 329 7.458 7.458 7.319 0.139 17867
2867 1 16 . 1 1 97 97 GLU N N 330 117.216 117.216 118.728 -1.512 17867
2868 1 16 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.525 0.345 17867
2869 1 16 . 1 1 97 97 GLU C C 330 178.500 178.500 178.176 0.324 17867
2870 1 16 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.809 0.581 17867
2871 1 16 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.896 0.003 17867
2872 1 16 . 1 1 97 97 GLU H H 330 8.679 8.679 8.677 0.002 17867
2873 1 16 . 1 1 98 98 ARG N N 331 121.169 121.169 118.993 2.176 17867
2874 1 16 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.009 0.121 17867
2875 1 16 . 1 1 98 98 ARG C C 331 178.900 178.900 178.995 -0.095 17867
2876 1 16 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.887 0.473 17867
2877 1 16 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.058 11.002 17867
2878 1 16 . 1 1 98 98 ARG H H 331 8.201 8.201 8.059 0.142 17867
2879 1 16 . 1 1 99 99 ILE N N 332 120.544 120.544 119.541 1.003 17867
2880 1 16 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.723 0.107 17867
2881 1 16 . 1 1 99 99 ILE C C 332 178.400 178.400 177.613 0.787 17867
2882 1 16 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.615 0.305 17867
2883 1 16 . 1 1 99 99 ILE CB C 332 38.310 38.310 38.153 0.157 17867
2884 1 16 . 1 1 99 99 ILE H H 332 8.320 8.320 7.902 0.418 17867
2885 1 16 . 1 1 100 100 ALA N N 333 122.141 122.141 122.707 -0.566 17867
2886 1 16 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.127 -0.307 17867
2887 1 16 . 1 1 100 100 ALA C C 333 179.500 179.500 179.878 -0.378 17867
2888 1 16 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.271 0.369 17867
2889 1 16 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.335 -0.095 17867
2890 1 16 . 1 1 100 100 ALA H H 333 8.709 8.709 7.779 0.930 17867
2891 1 16 . 1 1 101 101 PHE N N 334 118.102 118.102 115.551 2.551 17867
2892 1 16 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.381 -0.031 17867
2893 1 16 . 1 1 101 101 PHE C C 334 179.400 179.400 178.879 0.521 17867
2894 1 16 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.503 2.207 17867
2895 1 16 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.886 0.984 17867
2896 1 16 . 1 1 101 101 PHE H H 334 8.275 8.275 8.012 0.263 17867
2897 1 16 . 1 1 102 102 GLN N N 335 119.590 119.590 117.353 2.237 17867
2898 1 16 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.136 -0.246 17867
2899 1 16 . 1 1 102 102 GLN C C 335 176.900 176.900 176.598 0.302 17867
2900 1 16 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.721 0.409 17867
2901 1 16 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.545 -0.145 17867
2902 1 16 . 1 1 102 102 GLN H H 335 8.382 8.382 7.778 0.604 17867
2903 1 16 . 1 1 103 103 HIS N N 336 114.779 114.779 115.227 -0.448 17867
2904 1 16 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.769 -0.269 17867
2905 1 16 . 1 1 103 103 HIS C C 336 174.800 174.800 175.671 -0.871 17867
2906 1 16 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.847 0.793 17867
2907 1 16 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.317 0.023 17867
2908 1 16 . 1 1 103 103 HIS H H 336 7.753 7.753 7.507 0.246 17867
2909 1 16 . 1 1 104 104 GLY N N 337 108.669 108.669 108.859 -0.190 17867
2910 1 16 . 1 1 104 104 GLY C C 337 174.400 174.400 174.302 0.098 17867
2911 1 16 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.632 0.808 17867
2912 1 16 . 1 1 104 104 GLY H H 337 7.698 7.698 7.723 -0.025 17867
2913 1 16 . 1 1 105 105 VAL N N 338 120.862 120.862 121.747 -0.885 17867
2914 1 16 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.289 -0.289 17867
2915 1 16 . 1 1 105 105 VAL C C 338 175.900 175.900 176.059 -0.159 17867
2916 1 16 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.002 0.458 17867
2917 1 16 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.293 -0.233 17867
2918 1 16 . 1 1 105 105 VAL H H 338 8.216 8.216 8.159 0.057 17867
2919 1 16 . 1 1 106 106 THR N N 339 117.786 117.786 117.938 -0.152 17867
2920 1 16 . 1 1 106 106 THR HA H 339 4.340 4.340 4.484 -0.144 17867
2921 1 16 . 1 1 106 106 THR C C 339 174.800 174.800 174.942 -0.142 17867
2922 1 16 . 1 1 106 106 THR CA C 339 62.500 62.500 63.094 -0.594 17867
2923 1 16 . 1 1 106 106 THR CB C 339 69.300 69.300 69.445 -0.145 17867
2924 1 16 . 1 1 106 106 THR H H 339 8.285 8.285 8.557 -0.272 17867
2925 1 16 . 1 1 107 107 ASP N N 340 122.147 122.147 123.873 -1.726 17867
2926 1 16 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.782 -0.502 17867
2927 1 16 . 1 1 107 107 ASP C C 340 175.800 175.800 176.335 -0.535 17867
2928 1 16 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.969 -0.530 17867
2929 1 16 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.971 0.049 17867
2930 1 16 . 1 1 107 107 ASP H H 340 8.068 8.068 8.031 0.037 17867
2931 1 16 . 1 1 108 108 LEU N N 341 125.614 125.614 125.970 -0.356 17867
2932 1 16 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.097 -0.137 17867
2933 1 16 . 1 1 108 108 LEU C C 341 178.200 178.200 177.911 0.289 17867
2934 1 16 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.328 0.213 17867
2935 1 16 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.345 -0.625 17867
2936 1 16 . 1 1 108 108 LEU H H 341 8.520 8.520 7.785 0.735 17867
2937 1 16 . 1 1 109 109 ARG N N 342 118.141 118.141 118.752 -0.611 17867
2938 1 16 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.989 -0.059 17867
2939 1 16 . 1 1 109 109 ARG C C 342 179.500 179.500 178.799 0.701 17867
2940 1 16 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.403 0.157 17867
2941 1 16 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.543 0.007 17867
2942 1 16 . 1 1 109 109 ARG H H 342 8.501 8.501 8.539 -0.038 17867
2943 1 16 . 1 1 110 110 GLY N N 343 108.347 108.347 108.001 0.346 17867
2944 1 16 . 1 1 110 110 GLY C C 343 176.300 176.300 176.333 -0.033 17867
2945 1 16 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.973 -0.033 17867
2946 1 16 . 1 1 110 110 GLY H H 343 8.353 8.353 8.860 -0.507 17867
2947 1 16 . 1 1 111 111 MET N N 344 122.736 122.736 120.784 1.952 17867
2948 1 16 . 1 1 111 111 MET HA H 344 4.170 4.170 4.361 -0.191 17867
2949 1 16 . 1 1 111 111 MET C C 344 177.800 177.800 178.528 -0.728 17867
2950 1 16 . 1 1 111 111 MET CA C 344 58.620 58.620 56.827 1.793 17867
2951 1 16 . 1 1 111 111 MET CB C 344 32.780 32.780 31.900 0.880 17867
2952 1 16 . 1 1 111 111 MET H H 344 7.984 7.984 7.542 0.442 17867
2953 1 16 . 1 1 112 112 LEU N N 345 118.666 118.666 119.779 -1.113 17867
2954 1 16 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.955 0.035 17867
2955 1 16 . 1 1 112 112 LEU C C 345 179.400 179.400 178.908 0.492 17867
2956 1 16 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.486 0.154 17867
2957 1 16 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.883 0.297 17867
2958 1 16 . 1 1 112 112 LEU H H 345 8.340 8.340 8.475 -0.135 17867
2959 1 16 . 1 1 113 113 LYS N N 346 119.190 119.190 119.961 -0.771 17867
2960 1 16 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.996 0.044 17867
2961 1 16 . 1 1 113 113 LYS C C 346 179.000 179.000 178.375 0.625 17867
2962 1 16 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.148 -0.008 17867
2963 1 16 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.131 0.209 17867
2964 1 16 . 1 1 113 113 LYS H H 346 7.786 7.786 8.187 -0.401 17867
2965 1 16 . 1 1 114 114 ARG N N 347 119.664 119.664 117.627 2.037 17867
2966 1 16 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.747 0.333 17867
2967 1 16 . 1 1 114 114 ARG C C 347 178.600 178.600 177.568 1.032 17867
2968 1 16 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.594 0.775 17867
2969 1 16 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.756 0.364 17867
2970 1 16 . 1 1 114 114 ARG H H 347 7.786 7.786 7.366 0.420 17867
2971 1 16 . 1 1 115 115 LEU N N 348 120.259 120.259 121.007 -0.748 17867
2972 1 16 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.303 -0.173 17867
2973 1 16 . 1 1 115 115 LEU C C 348 178.500 178.500 177.666 0.834 17867
2974 1 16 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.380 -0.380 17867
2975 1 16 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.533 -0.423 17867
2976 1 16 . 1 1 115 115 LEU H H 348 8.199 8.199 7.979 0.220 17867
2977 1 17 . 1 1 83 83 ASP N N 316 121.228 121.228 118.607 2.621 17867
2978 1 17 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.404 0.146 17867
2979 1 17 . 1 1 83 83 ASP C C 316 177.400 177.400 177.186 0.214 17867
2980 1 17 . 1 1 83 83 ASP CA C 316 54.770 54.770 55.252 -0.482 17867
2981 1 17 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.493 -0.463 17867
2982 1 17 . 1 1 83 83 ASP H H 316 8.199 8.199 8.412 -0.213 17867
2983 1 17 . 1 1 84 84 VAL N N 317 121.668 121.668 119.198 2.470 17867
2984 1 17 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.195 0.115 17867
2985 1 17 . 1 1 84 84 VAL C C 317 175.800 175.800 176.557 -0.757 17867
2986 1 17 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.393 -0.683 17867
2987 1 17 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.706 -0.666 17867
2988 1 17 . 1 1 84 84 VAL H H 317 8.096 8.096 7.900 0.196 17867
2989 1 17 . 1 1 85 85 TRP N N 318 121.197 121.197 117.565 3.632 17867
2990 1 17 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.374 -0.114 17867
2991 1 17 . 1 1 85 85 TRP C C 318 177.500 177.500 176.727 0.773 17867
2992 1 17 . 1 1 85 85 TRP CA C 318 59.610 59.610 58.138 1.472 17867
2993 1 17 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.414 0.406 17867
2994 1 17 . 1 1 85 85 TRP H H 318 7.706 7.706 8.088 -0.382 17867
2995 1 17 . 1 1 86 86 GLU N N 319 117.895 117.895 120.070 -2.175 17867
2996 1 17 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.819 0.231 17867
2997 1 17 . 1 1 86 86 GLU C C 319 178.500 178.500 178.129 0.371 17867
2998 1 17 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.704 -0.404 17867
2999 1 17 . 1 1 86 86 GLU CB C 319 29.260 29.260 29.039 0.221 17867
3000 1 17 . 1 1 86 86 GLU H H 319 7.604 7.604 7.118 0.486 17867
3001 1 17 . 1 1 87 87 ILE N N 320 119.002 119.002 119.353 -0.351 17867
3002 1 17 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.808 -0.128 17867
3003 1 17 . 1 1 87 87 ILE C C 320 179.300 179.300 178.333 0.967 17867
3004 1 17 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.430 -0.080 17867
3005 1 17 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.311 -0.371 17867
3006 1 17 . 1 1 87 87 ILE H H 320 7.428 7.428 7.612 -0.184 17867
3007 1 17 . 1 1 88 88 LEU N N 321 119.705 119.705 120.146 -0.441 17867
3008 1 17 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.988 -0.138 17867
3009 1 17 . 1 1 88 88 LEU C C 321 178.600 178.600 179.329 -0.729 17867
3010 1 17 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.915 -0.325 17867
3011 1 17 . 1 1 88 88 LEU CB C 321 41.990 41.990 41.013 0.977 17867
3012 1 17 . 1 1 88 88 LEU H H 321 8.231 8.231 8.387 -0.156 17867
3013 1 17 . 1 1 89 89 ARG N N 322 116.816 116.816 116.388 0.428 17867
3014 1 17 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.130 -0.340 17867
3015 1 17 . 1 1 89 89 ARG C C 322 177.500 177.500 177.482 0.018 17867
3016 1 17 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.553 0.627 17867
3017 1 17 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.265 -0.335 17867
3018 1 17 . 1 1 89 89 ARG H H 322 8.068 8.068 7.627 0.441 17867
3019 1 17 . 1 1 90 90 GLN N N 323 114.097 114.097 115.094 -0.997 17867
3020 1 17 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.447 -0.027 17867
3021 1 17 . 1 1 90 90 GLN C C 323 175.300 175.300 175.206 0.094 17867
3022 1 17 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.082 0.108 17867
3023 1 17 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.810 0.070 17867
3024 1 17 . 1 1 90 90 GLN H H 323 7.275 7.275 7.759 -0.484 17867
3025 1 17 . 1 1 91 91 ALA N N 324 124.443 124.443 124.315 0.128 17867
3026 1 17 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.658 0.002 17867
3027 1 17 . 1 1 91 91 ALA C C 324 174.300 174.300 175.351 -1.051 17867
3028 1 17 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.764 0.636 17867
3029 1 17 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.027 -0.097 17867
3030 1 17 . 1 1 91 91 ALA H H 324 7.634 7.634 7.371 0.263 17867
3031 1 17 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.512 1.308 17867
3032 1 17 . 1 1 93 93 PRO C C 326 178.300 178.300 177.831 0.469 17867
3033 1 17 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.846 -1.115 17867
3034 1 17 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.387 0.403 17867
3035 1 17 . 1 1 94 94 SER N N 327 111.738 111.738 111.092 0.646 17867
3036 1 17 . 1 1 94 94 SER HA H 327 4.100 4.100 4.231 -0.131 17867
3037 1 17 . 1 1 94 94 SER C C 327 175.800 175.800 175.558 0.242 17867
3038 1 17 . 1 1 94 94 SER CA C 327 60.170 60.170 60.541 -0.371 17867
3039 1 17 . 1 1 94 94 SER CB C 327 62.070 62.070 62.444 -0.374 17867
3040 1 17 . 1 1 94 94 SER H H 327 7.938 7.938 8.076 -0.138 17867
3041 1 17 . 1 1 95 95 GLU N N 328 119.807 119.807 119.387 0.420 17867
3042 1 17 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.549 -0.019 17867
3043 1 17 . 1 1 95 95 GLU C C 328 176.500 176.500 177.341 -0.841 17867
3044 1 17 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.506 0.054 17867
3045 1 17 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.322 1.388 17867
3046 1 17 . 1 1 95 95 GLU H H 328 8.201 8.201 7.752 0.449 17867
3047 1 17 . 1 1 96 96 TYR N N 329 118.008 118.008 120.338 -2.330 17867
3048 1 17 . 1 1 96 96 TYR HA H 329 4.200 4.200 3.974 0.226 17867
3049 1 17 . 1 1 96 96 TYR C C 329 177.300 177.300 177.752 -0.452 17867
3050 1 17 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.478 -1.788 17867
3051 1 17 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.608 -0.578 17867
3052 1 17 . 1 1 96 96 TYR H H 329 7.458 7.458 7.281 0.177 17867
3053 1 17 . 1 1 97 97 GLU N N 330 117.216 117.216 117.908 -0.692 17867
3054 1 17 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.576 0.294 17867
3055 1 17 . 1 1 97 97 GLU C C 330 178.500 178.500 178.367 0.133 17867
3056 1 17 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.657 0.733 17867
3057 1 17 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.884 0.016 17867
3058 1 17 . 1 1 97 97 GLU H H 330 8.679 8.679 8.674 0.005 17867
3059 1 17 . 1 1 98 98 ARG N N 331 121.169 121.169 119.002 2.167 17867
3060 1 17 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.000 0.130 17867
3061 1 17 . 1 1 98 98 ARG C C 331 178.900 178.900 179.034 -0.134 17867
3062 1 17 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.063 0.297 17867
3063 1 17 . 1 1 98 98 ARG CB C 331 41.060 41.060 29.979 11.081 17867
3064 1 17 . 1 1 98 98 ARG H H 331 8.201 8.201 7.906 0.295 17867
3065 1 17 . 1 1 99 99 ILE N N 332 120.544 120.544 119.657 0.887 17867
3066 1 17 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.866 -0.036 17867
3067 1 17 . 1 1 99 99 ILE C C 332 178.400 178.400 178.125 0.275 17867
3068 1 17 . 1 1 99 99 ILE CA C 332 64.920 64.920 63.428 1.492 17867
3069 1 17 . 1 1 99 99 ILE CB C 332 38.310 38.310 36.925 1.385 17867
3070 1 17 . 1 1 99 99 ILE H H 332 8.320 8.320 8.287 0.033 17867
3071 1 17 . 1 1 100 100 ALA N N 333 122.141 122.141 123.108 -0.967 17867
3072 1 17 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.124 -0.304 17867
3073 1 17 . 1 1 100 100 ALA C C 333 179.500 179.500 179.923 -0.423 17867
3074 1 17 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.097 0.543 17867
3075 1 17 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.425 -0.185 17867
3076 1 17 . 1 1 100 100 ALA H H 333 8.709 8.709 7.728 0.981 17867
3077 1 17 . 1 1 101 101 PHE N N 334 118.102 118.102 117.440 0.662 17867
3078 1 17 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.301 0.049 17867
3079 1 17 . 1 1 101 101 PHE C C 334 179.400 179.400 179.155 0.245 17867
3080 1 17 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.885 1.825 17867
3081 1 17 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.823 1.047 17867
3082 1 17 . 1 1 101 101 PHE H H 334 8.275 8.275 8.076 0.199 17867
3083 1 17 . 1 1 102 102 GLN N N 335 119.590 119.590 118.085 1.505 17867
3084 1 17 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.105 -0.215 17867
3085 1 17 . 1 1 102 102 GLN C C 335 176.900 176.900 176.824 0.076 17867
3086 1 17 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.277 -0.147 17867
3087 1 17 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.549 -0.149 17867
3088 1 17 . 1 1 102 102 GLN H H 335 8.382 8.382 8.054 0.328 17867
3089 1 17 . 1 1 103 103 HIS N N 336 114.779 114.779 114.694 0.085 17867
3090 1 17 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.722 -0.222 17867
3091 1 17 . 1 1 103 103 HIS C C 336 174.800 174.800 175.159 -0.359 17867
3092 1 17 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.401 1.239 17867
3093 1 17 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.176 0.164 17867
3094 1 17 . 1 1 103 103 HIS H H 336 7.753 7.753 7.649 0.104 17867
3095 1 17 . 1 1 104 104 GLY N N 337 108.669 108.669 108.380 0.289 17867
3096 1 17 . 1 1 104 104 GLY C C 337 174.400 174.400 174.495 -0.095 17867
3097 1 17 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.600 0.840 17867
3098 1 17 . 1 1 104 104 GLY H H 337 7.698 7.698 7.748 -0.050 17867
3099 1 17 . 1 1 105 105 VAL N N 338 120.862 120.862 121.506 -0.644 17867
3100 1 17 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.247 -0.247 17867
3101 1 17 . 1 1 105 105 VAL C C 338 175.900 175.900 175.954 -0.054 17867
3102 1 17 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.402 0.058 17867
3103 1 17 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.464 -0.404 17867
3104 1 17 . 1 1 105 105 VAL H H 338 8.216 8.216 8.185 0.031 17867
3105 1 17 . 1 1 106 106 THR N N 339 117.786 117.786 117.032 0.754 17867
3106 1 17 . 1 1 106 106 THR HA H 339 4.340 4.340 4.420 -0.080 17867
3107 1 17 . 1 1 106 106 THR C C 339 174.800 174.800 174.898 -0.098 17867
3108 1 17 . 1 1 106 106 THR CA C 339 62.500 62.500 62.783 -0.283 17867
3109 1 17 . 1 1 106 106 THR CB C 339 69.300 69.300 69.540 -0.240 17867
3110 1 17 . 1 1 106 106 THR H H 339 8.285 8.285 8.509 -0.224 17867
3111 1 17 . 1 1 107 107 ASP N N 340 122.147 122.147 123.727 -1.580 17867
3112 1 17 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.749 -0.469 17867
3113 1 17 . 1 1 107 107 ASP C C 340 175.800 175.800 176.325 -0.525 17867
3114 1 17 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.978 -0.538 17867
3115 1 17 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.939 0.081 17867
3116 1 17 . 1 1 107 107 ASP H H 340 8.068 8.068 7.963 0.105 17867
3117 1 17 . 1 1 108 108 LEU N N 341 125.614 125.614 126.186 -0.572 17867
3118 1 17 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.046 -0.086 17867
3119 1 17 . 1 1 108 108 LEU C C 341 178.200 178.200 177.840 0.360 17867
3120 1 17 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.334 0.206 17867
3121 1 17 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.282 -0.562 17867
3122 1 17 . 1 1 108 108 LEU H H 341 8.520 8.520 7.760 0.760 17867
3123 1 17 . 1 1 109 109 ARG N N 342 118.141 118.141 118.710 -0.569 17867
3124 1 17 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.944 -0.014 17867
3125 1 17 . 1 1 109 109 ARG C C 342 179.500 179.500 178.821 0.679 17867
3126 1 17 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.412 0.148 17867
3127 1 17 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.551 -0.001 17867
3128 1 17 . 1 1 109 109 ARG H H 342 8.501 8.501 8.499 0.002 17867
3129 1 17 . 1 1 110 110 GLY N N 343 108.347 108.347 107.609 0.738 17867
3130 1 17 . 1 1 110 110 GLY C C 343 176.300 176.300 176.281 0.019 17867
3131 1 17 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.874 0.065 17867
3132 1 17 . 1 1 110 110 GLY H H 343 8.353 8.353 8.849 -0.496 17867
3133 1 17 . 1 1 111 111 MET N N 344 122.736 122.736 120.578 2.158 17867
3134 1 17 . 1 1 111 111 MET HA H 344 4.170 4.170 4.343 -0.173 17867
3135 1 17 . 1 1 111 111 MET C C 344 177.800 177.800 178.446 -0.646 17867
3136 1 17 . 1 1 111 111 MET CA C 344 58.620 58.620 56.365 2.255 17867
3137 1 17 . 1 1 111 111 MET CB C 344 32.780 32.780 31.816 0.964 17867
3138 1 17 . 1 1 111 111 MET H H 344 7.984 7.984 7.513 0.470 17867
3139 1 17 . 1 1 112 112 LEU N N 345 118.666 118.666 120.082 -1.416 17867
3140 1 17 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.885 0.105 17867
3141 1 17 . 1 1 112 112 LEU C C 345 179.400 179.400 178.763 0.637 17867
3142 1 17 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.435 0.204 17867
3143 1 17 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.763 0.417 17867
3144 1 17 . 1 1 112 112 LEU H H 345 8.340 8.340 8.592 -0.252 17867
3145 1 17 . 1 1 113 113 LYS N N 346 119.190 119.190 118.981 0.209 17867
3146 1 17 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.019 0.021 17867
3147 1 17 . 1 1 113 113 LYS C C 346 179.000 179.000 178.272 0.728 17867
3148 1 17 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.016 0.124 17867
3149 1 17 . 1 1 113 113 LYS CB C 346 32.340 32.340 31.997 0.343 17867
3150 1 17 . 1 1 113 113 LYS H H 346 7.786 7.786 7.910 -0.124 17867
3151 1 17 . 1 1 114 114 ARG N N 347 119.664 119.664 117.890 1.774 17867
3152 1 17 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.932 0.148 17867
3153 1 17 . 1 1 114 114 ARG C C 347 178.600 178.600 177.583 1.017 17867
3154 1 17 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.759 0.611 17867
3155 1 17 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.017 0.103 17867
3156 1 17 . 1 1 114 114 ARG H H 347 7.786 7.786 7.248 0.538 17867
3157 1 17 . 1 1 115 115 LEU N N 348 120.259 120.259 121.297 -1.038 17867
3158 1 17 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.184 -0.054 17867
3159 1 17 . 1 1 115 115 LEU C C 348 178.500 178.500 177.827 0.673 17867
3160 1 17 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.790 -0.790 17867
3161 1 17 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.444 -0.334 17867
3162 1 17 . 1 1 115 115 LEU H H 348 8.199 8.199 8.104 0.095 17867
3163 1 18 . 1 1 83 83 ASP N N 316 121.228 121.228 119.101 2.127 17867
3164 1 18 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.604 -0.054 17867
3165 1 18 . 1 1 83 83 ASP C C 316 177.400 177.400 176.576 0.824 17867
3166 1 18 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.437 1.333 17867
3167 1 18 . 1 1 83 83 ASP CB C 316 41.030 41.030 39.792 1.238 17867
3168 1 18 . 1 1 83 83 ASP H H 316 8.199 8.199 8.478 -0.279 17867
3169 1 18 . 1 1 84 84 VAL N N 317 121.668 121.668 120.226 1.442 17867
3170 1 18 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.530 -0.220 17867
3171 1 18 . 1 1 84 84 VAL C C 317 175.800 175.800 176.078 -0.278 17867
3172 1 18 . 1 1 84 84 VAL CA C 317 64.710 64.710 63.782 0.928 17867
3173 1 18 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.903 -0.863 17867
3174 1 18 . 1 1 84 84 VAL H H 317 8.096 8.096 7.927 0.169 17867
3175 1 18 . 1 1 85 85 TRP N N 318 121.197 121.197 118.504 2.693 17867
3176 1 18 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.234 0.026 17867
3177 1 18 . 1 1 85 85 TRP C C 318 177.500 177.500 177.091 0.409 17867
3178 1 18 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.068 0.542 17867
3179 1 18 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.135 0.685 17867
3180 1 18 . 1 1 85 85 TRP H H 318 7.706 7.706 7.966 -0.260 17867
3181 1 18 . 1 1 86 86 GLU N N 319 117.895 117.895 119.766 -1.871 17867
3182 1 18 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.544 0.506 17867
3183 1 18 . 1 1 86 86 GLU C C 319 178.500 178.500 178.388 0.112 17867
3184 1 18 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.316 -0.016 17867
3185 1 18 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.764 0.496 17867
3186 1 18 . 1 1 86 86 GLU H H 319 7.604 7.604 6.746 0.858 17867
3187 1 18 . 1 1 87 87 ILE N N 320 119.002 119.002 119.335 -0.333 17867
3188 1 18 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.743 -0.063 17867
3189 1 18 . 1 1 87 87 ILE C C 320 179.300 179.300 177.890 1.410 17867
3190 1 18 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.334 0.016 17867
3191 1 18 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.049 -0.109 17867
3192 1 18 . 1 1 87 87 ILE H H 320 7.428 7.428 7.329 0.099 17867
3193 1 18 . 1 1 88 88 LEU N N 321 119.705 119.705 119.959 -0.254 17867
3194 1 18 . 1 1 88 88 LEU HA H 321 3.850 3.850 4.146 -0.296 17867
3195 1 18 . 1 1 88 88 LEU C C 321 178.600 178.600 179.180 -0.580 17867
3196 1 18 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.286 0.304 17867
3197 1 18 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.545 1.445 17867
3198 1 18 . 1 1 88 88 LEU H H 321 8.231 8.231 7.973 0.258 17867
3199 1 18 . 1 1 89 89 ARG N N 322 116.816 116.816 119.894 -3.078 17867
3200 1 18 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.072 -0.282 17867
3201 1 18 . 1 1 89 89 ARG C C 322 177.500 177.500 177.320 0.180 17867
3202 1 18 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.964 0.216 17867
3203 1 18 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.209 -0.279 17867
3204 1 18 . 1 1 89 89 ARG H H 322 8.068 8.068 7.818 0.250 17867
3205 1 18 . 1 1 90 90 GLN N N 323 114.097 114.097 116.426 -2.329 17867
3206 1 18 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.513 -0.093 17867
3207 1 18 . 1 1 90 90 GLN C C 323 175.300 175.300 175.228 0.072 17867
3208 1 18 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.417 -0.227 17867
3209 1 18 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.681 0.199 17867
3210 1 18 . 1 1 90 90 GLN H H 323 7.275 7.275 7.651 -0.376 17867
3211 1 18 . 1 1 91 91 ALA N N 324 124.443 124.443 123.593 0.850 17867
3212 1 18 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.845 -0.185 17867
3213 1 18 . 1 1 91 91 ALA C C 324 174.300 174.300 174.889 -0.589 17867
3214 1 18 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.450 0.950 17867
3215 1 18 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.385 -0.455 17867
3216 1 18 . 1 1 91 91 ALA H H 324 7.634 7.634 7.579 0.055 17867
3217 1 18 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.633 1.187 17867
3218 1 18 . 1 1 93 93 PRO C C 326 178.300 178.300 177.650 0.650 17867
3219 1 18 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.588 -0.858 17867
3220 1 18 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.447 0.343 17867
3221 1 18 . 1 1 94 94 SER N N 327 111.738 111.738 113.394 -1.656 17867
3222 1 18 . 1 1 94 94 SER HA H 327 4.100 4.100 4.251 -0.151 17867
3223 1 18 . 1 1 94 94 SER C C 327 175.800 175.800 175.652 0.148 17867
3224 1 18 . 1 1 94 94 SER CA C 327 60.170 60.170 60.384 -0.214 17867
3225 1 18 . 1 1 94 94 SER CB C 327 62.070 62.070 62.508 -0.438 17867
3226 1 18 . 1 1 94 94 SER H H 327 7.938 7.938 8.035 -0.097 17867
3227 1 18 . 1 1 95 95 GLU N N 328 119.807 119.807 120.042 -0.235 17867
3228 1 18 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.529 0.001 17867
3229 1 18 . 1 1 95 95 GLU C C 328 176.500 176.500 177.595 -1.095 17867
3230 1 18 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.843 -0.283 17867
3231 1 18 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.282 1.428 17867
3232 1 18 . 1 1 95 95 GLU H H 328 8.201 8.201 7.682 0.519 17867
3233 1 18 . 1 1 96 96 TYR N N 329 118.008 118.008 120.049 -2.041 17867
3234 1 18 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.031 0.169 17867
3235 1 18 . 1 1 96 96 TYR C C 329 177.300 177.300 177.794 -0.494 17867
3236 1 18 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.132 -1.442 17867
3237 1 18 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.547 -0.517 17867
3238 1 18 . 1 1 96 96 TYR H H 329 7.458 7.458 7.227 0.231 17867
3239 1 18 . 1 1 97 97 GLU N N 330 117.216 117.216 118.205 -0.989 17867
3240 1 18 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.492 0.378 17867
3241 1 18 . 1 1 97 97 GLU C C 330 178.500 178.500 178.176 0.324 17867
3242 1 18 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.386 1.004 17867
3243 1 18 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.842 0.058 17867
3244 1 18 . 1 1 97 97 GLU H H 330 8.679 8.679 8.528 0.151 17867
3245 1 18 . 1 1 98 98 ARG N N 331 121.169 121.169 119.846 1.323 17867
3246 1 18 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.042 0.088 17867
3247 1 18 . 1 1 98 98 ARG C C 331 178.900 178.900 178.740 0.160 17867
3248 1 18 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.140 0.220 17867
3249 1 18 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.140 10.920 17867
3250 1 18 . 1 1 98 98 ARG H H 331 8.201 8.201 7.849 0.352 17867
3251 1 18 . 1 1 99 99 ILE N N 332 120.544 120.544 119.127 1.417 17867
3252 1 18 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.723 0.107 17867
3253 1 18 . 1 1 99 99 ILE C C 332 178.400 178.400 177.950 0.450 17867
3254 1 18 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.805 0.115 17867
3255 1 18 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.876 0.434 17867
3256 1 18 . 1 1 99 99 ILE H H 332 8.320 8.320 8.204 0.116 17867
3257 1 18 . 1 1 100 100 ALA N N 333 122.141 122.141 122.849 -0.708 17867
3258 1 18 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.071 -0.251 17867
3259 1 18 . 1 1 100 100 ALA C C 333 179.500 179.500 179.906 -0.406 17867
3260 1 18 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.210 0.430 17867
3261 1 18 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.309 -0.069 17867
3262 1 18 . 1 1 100 100 ALA H H 333 8.709 8.709 7.674 1.035 17867
3263 1 18 . 1 1 101 101 PHE N N 334 118.102 118.102 117.153 0.949 17867
3264 1 18 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.455 -0.105 17867
3265 1 18 . 1 1 101 101 PHE C C 334 179.400 179.400 179.155 0.245 17867
3266 1 18 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.320 2.390 17867
3267 1 18 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.741 1.129 17867
3268 1 18 . 1 1 101 101 PHE H H 334 8.275 8.275 8.146 0.129 17867
3269 1 18 . 1 1 102 102 GLN N N 335 119.590 119.590 117.770 1.820 17867
3270 1 18 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.171 -0.281 17867
3271 1 18 . 1 1 102 102 GLN C C 335 176.900 176.900 176.763 0.137 17867
3272 1 18 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.966 0.164 17867
3273 1 18 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.065 0.335 17867
3274 1 18 . 1 1 102 102 GLN H H 335 8.382 8.382 8.237 0.145 17867
3275 1 18 . 1 1 103 103 HIS N N 336 114.779 114.779 115.626 -0.847 17867
3276 1 18 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.748 -0.248 17867
3277 1 18 . 1 1 103 103 HIS C C 336 174.800 174.800 175.040 -0.240 17867
3278 1 18 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.430 1.210 17867
3279 1 18 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.049 0.291 17867
3280 1 18 . 1 1 103 103 HIS H H 336 7.753 7.753 7.622 0.131 17867
3281 1 18 . 1 1 104 104 GLY N N 337 108.669 108.669 107.342 1.327 17867
3282 1 18 . 1 1 104 104 GLY C C 337 174.400 174.400 174.378 0.022 17867
3283 1 18 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.462 0.978 17867
3284 1 18 . 1 1 104 104 GLY H H 337 7.698 7.698 7.674 0.024 17867
3285 1 18 . 1 1 105 105 VAL N N 338 120.862 120.862 121.794 -0.932 17867
3286 1 18 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.295 -0.295 17867
3287 1 18 . 1 1 105 105 VAL C C 338 175.900 175.900 175.985 -0.085 17867
3288 1 18 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.962 0.498 17867
3289 1 18 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.414 -0.354 17867
3290 1 18 . 1 1 105 105 VAL H H 338 8.216 8.216 8.202 0.014 17867
3291 1 18 . 1 1 106 106 THR N N 339 117.786 117.786 117.627 0.159 17867
3292 1 18 . 1 1 106 106 THR HA H 339 4.340 4.340 4.558 -0.218 17867
3293 1 18 . 1 1 106 106 THR C C 339 174.800 174.800 174.808 -0.008 17867
3294 1 18 . 1 1 106 106 THR CA C 339 62.500 62.500 62.870 -0.370 17867
3295 1 18 . 1 1 106 106 THR CB C 339 69.300 69.300 69.534 -0.234 17867
3296 1 18 . 1 1 106 106 THR H H 339 8.285 8.285 8.604 -0.319 17867
3297 1 18 . 1 1 107 107 ASP N N 340 122.147 122.147 124.087 -1.940 17867
3298 1 18 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.783 -0.503 17867
3299 1 18 . 1 1 107 107 ASP C C 340 175.800 175.800 176.287 -0.487 17867
3300 1 18 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.987 -0.547 17867
3301 1 18 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.892 0.128 17867
3302 1 18 . 1 1 107 107 ASP H H 340 8.068 8.068 8.024 0.044 17867
3303 1 18 . 1 1 108 108 LEU N N 341 125.614 125.614 125.914 -0.300 17867
3304 1 18 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.094 -0.134 17867
3305 1 18 . 1 1 108 108 LEU C C 341 178.200 178.200 177.846 0.354 17867
3306 1 18 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.258 0.282 17867
3307 1 18 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.321 -0.601 17867
3308 1 18 . 1 1 108 108 LEU H H 341 8.520 8.520 7.820 0.700 17867
3309 1 18 . 1 1 109 109 ARG N N 342 118.141 118.141 118.861 -0.720 17867
3310 1 18 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.998 -0.068 17867
3311 1 18 . 1 1 109 109 ARG C C 342 179.500 179.500 178.867 0.633 17867
3312 1 18 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.466 0.094 17867
3313 1 18 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.579 -0.029 17867
3314 1 18 . 1 1 109 109 ARG H H 342 8.501 8.501 8.545 -0.044 17867
3315 1 18 . 1 1 110 110 GLY N N 343 108.347 108.347 108.285 0.062 17867
3316 1 18 . 1 1 110 110 GLY C C 343 176.300 176.300 176.244 0.056 17867
3317 1 18 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.936 0.004 17867
3318 1 18 . 1 1 110 110 GLY H H 343 8.353 8.353 8.864 -0.511 17867
3319 1 18 . 1 1 111 111 MET N N 344 122.736 122.736 121.365 1.371 17867
3320 1 18 . 1 1 111 111 MET HA H 344 4.170 4.170 4.240 -0.070 17867
3321 1 18 . 1 1 111 111 MET C C 344 177.800 177.800 178.551 -0.751 17867
3322 1 18 . 1 1 111 111 MET CA C 344 58.620 58.620 57.177 1.443 17867
3323 1 18 . 1 1 111 111 MET CB C 344 32.780 32.780 32.007 0.773 17867
3324 1 18 . 1 1 111 111 MET H H 344 7.984 7.984 7.648 0.336 17867
3325 1 18 . 1 1 112 112 LEU N N 345 118.666 118.666 118.668 -0.002 17867
3326 1 18 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.909 0.081 17867
3327 1 18 . 1 1 112 112 LEU C C 345 179.400 179.400 178.708 0.692 17867
3328 1 18 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.263 0.377 17867
3329 1 18 . 1 1 112 112 LEU CB C 345 41.180 41.180 40.970 0.210 17867
3330 1 18 . 1 1 112 112 LEU H H 345 8.340 8.340 8.677 -0.337 17867
3331 1 18 . 1 1 113 113 LYS N N 346 119.190 119.190 120.969 -1.779 17867
3332 1 18 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.965 0.075 17867
3333 1 18 . 1 1 113 113 LYS C C 346 179.000 179.000 178.331 0.669 17867
3334 1 18 . 1 1 113 113 LYS CA C 346 59.140 59.140 58.978 0.162 17867
3335 1 18 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.252 0.088 17867
3336 1 18 . 1 1 113 113 LYS H H 346 7.786 7.786 7.963 -0.177 17867
3337 1 18 . 1 1 114 114 ARG N N 347 119.664 119.664 116.480 3.184 17867
3338 1 18 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.964 0.116 17867
3339 1 18 . 1 1 114 114 ARG C C 347 178.600 178.600 177.503 1.097 17867
3340 1 18 . 1 1 114 114 ARG CA C 347 58.370 58.370 56.420 1.950 17867
3341 1 18 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.774 0.346 17867
3342 1 18 . 1 1 114 114 ARG H H 347 7.786 7.786 7.694 0.092 17867
3343 1 18 . 1 1 115 115 LEU N N 348 120.259 120.259 119.913 0.346 17867
3344 1 18 . 1 1 115 115 LEU HA H 348 4.130 4.130 3.868 0.262 17867
3345 1 18 . 1 1 115 115 LEU C C 348 178.500 178.500 176.409 2.091 17867
3346 1 18 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.156 -0.156 17867
3347 1 18 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.395 -0.285 17867
3348 1 18 . 1 1 115 115 LEU H H 348 8.199 8.199 7.619 0.580 17867
3349 1 19 . 1 1 83 83 ASP N N 316 121.228 121.228 122.450 -1.222 17867
3350 1 19 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.828 -0.278 17867
3351 1 19 . 1 1 83 83 ASP C C 316 177.400 177.400 176.595 0.805 17867
3352 1 19 . 1 1 83 83 ASP CA C 316 54.770 54.770 54.006 0.764 17867
3353 1 19 . 1 1 83 83 ASP CB C 316 41.030 41.030 39.697 1.333 17867
3354 1 19 . 1 1 83 83 ASP H H 316 8.199 8.199 8.334 -0.135 17867
3355 1 19 . 1 1 84 84 VAL N N 317 121.668 121.668 121.807 -0.139 17867
3356 1 19 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.590 -0.280 17867
3357 1 19 . 1 1 84 84 VAL C C 317 175.800 175.800 177.312 -1.512 17867
3358 1 19 . 1 1 84 84 VAL CA C 317 64.710 64.710 64.781 -0.071 17867
3359 1 19 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.973 -0.933 17867
3360 1 19 . 1 1 84 84 VAL H H 317 8.096 8.096 7.942 0.154 17867
3361 1 19 . 1 1 85 85 TRP N N 318 121.197 121.197 119.036 2.161 17867
3362 1 19 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.166 0.094 17867
3363 1 19 . 1 1 85 85 TRP C C 318 177.500 177.500 177.114 0.386 17867
3364 1 19 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.254 0.356 17867
3365 1 19 . 1 1 85 85 TRP CB C 318 28.820 28.820 27.991 0.829 17867
3366 1 19 . 1 1 85 85 TRP H H 318 7.706 7.706 7.720 -0.014 17867
3367 1 19 . 1 1 86 86 GLU N N 319 117.895 117.895 119.244 -1.349 17867
3368 1 19 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.460 0.590 17867
3369 1 19 . 1 1 86 86 GLU C C 319 178.500 178.500 178.124 0.376 17867
3370 1 19 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.215 0.084 17867
3371 1 19 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.624 0.636 17867
3372 1 19 . 1 1 86 86 GLU H H 319 7.604 7.604 6.649 0.955 17867
3373 1 19 . 1 1 87 87 ILE N N 320 119.002 119.002 118.695 0.307 17867
3374 1 19 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.802 -0.122 17867
3375 1 19 . 1 1 87 87 ILE C C 320 179.300 179.300 178.125 1.175 17867
3376 1 19 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.053 0.297 17867
3377 1 19 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.320 -0.380 17867
3378 1 19 . 1 1 87 87 ILE H H 320 7.428 7.428 7.585 -0.157 17867
3379 1 19 . 1 1 88 88 LEU N N 321 119.705 119.705 119.482 0.223 17867
3380 1 19 . 1 1 88 88 LEU HA H 321 3.850 3.850 4.131 -0.281 17867
3381 1 19 . 1 1 88 88 LEU C C 321 178.600 178.600 179.206 -0.606 17867
3382 1 19 . 1 1 88 88 LEU CA C 321 57.590 57.590 56.836 0.754 17867
3383 1 19 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.724 1.266 17867
3384 1 19 . 1 1 88 88 LEU H H 321 8.231 8.231 8.032 0.199 17867
3385 1 19 . 1 1 89 89 ARG N N 322 116.816 116.816 119.904 -3.088 17867
3386 1 19 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.093 -0.303 17867
3387 1 19 . 1 1 89 89 ARG C C 322 177.500 177.500 177.293 0.207 17867
3388 1 19 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.791 0.389 17867
3389 1 19 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.281 -0.351 17867
3390 1 19 . 1 1 89 89 ARG H H 322 8.068 8.068 7.698 0.370 17867
3391 1 19 . 1 1 90 90 GLN N N 323 114.097 114.097 116.619 -2.522 17867
3392 1 19 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.451 -0.031 17867
3393 1 19 . 1 1 90 90 GLN C C 323 175.300 175.300 174.866 0.434 17867
3394 1 19 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.296 -0.106 17867
3395 1 19 . 1 1 90 90 GLN CB C 323 29.880 29.880 29.808 0.072 17867
3396 1 19 . 1 1 90 90 GLN H H 323 7.275 7.275 7.618 -0.343 17867
3397 1 19 . 1 1 91 91 ALA N N 324 124.443 124.443 123.574 0.869 17867
3398 1 19 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.847 -0.187 17867
3399 1 19 . 1 1 91 91 ALA C C 324 174.300 174.300 174.859 -0.559 17867
3400 1 19 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.440 0.961 17867
3401 1 19 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.511 -0.581 17867
3402 1 19 . 1 1 91 91 ALA H H 324 7.634 7.634 7.607 0.027 17867
3403 1 19 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.506 1.314 17867
3404 1 19 . 1 1 93 93 PRO C C 326 178.300 178.300 177.638 0.662 17867
3405 1 19 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.527 -0.797 17867
3406 1 19 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.405 0.385 17867
3407 1 19 . 1 1 94 94 SER N N 327 111.738 111.738 113.456 -1.718 17867
3408 1 19 . 1 1 94 94 SER HA H 327 4.100 4.100 4.254 -0.154 17867
3409 1 19 . 1 1 94 94 SER C C 327 175.800 175.800 175.603 0.197 17867
3410 1 19 . 1 1 94 94 SER CA C 327 60.170 60.170 60.367 -0.197 17867
3411 1 19 . 1 1 94 94 SER CB C 327 62.070 62.070 62.469 -0.399 17867
3412 1 19 . 1 1 94 94 SER H H 327 7.938 7.938 8.038 -0.100 17867
3413 1 19 . 1 1 95 95 GLU N N 328 119.807 119.807 119.907 -0.100 17867
3414 1 19 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.538 -0.008 17867
3415 1 19 . 1 1 95 95 GLU C C 328 176.500 176.500 177.507 -1.007 17867
3416 1 19 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.783 -0.223 17867
3417 1 19 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.300 1.410 17867
3418 1 19 . 1 1 95 95 GLU H H 328 8.201 8.201 7.698 0.503 17867
3419 1 19 . 1 1 96 96 TYR N N 329 118.008 118.008 120.543 -2.535 17867
3420 1 19 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.100 0.100 17867
3421 1 19 . 1 1 96 96 TYR C C 329 177.300 177.300 178.065 -0.765 17867
3422 1 19 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.342 -1.652 17867
3423 1 19 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.414 -0.384 17867
3424 1 19 . 1 1 96 96 TYR H H 329 7.458 7.458 7.284 0.174 17867
3425 1 19 . 1 1 97 97 GLU N N 330 117.216 117.216 118.305 -1.089 17867
3426 1 19 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.457 0.413 17867
3427 1 19 . 1 1 97 97 GLU C C 330 178.500 178.500 178.250 0.250 17867
3428 1 19 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.485 0.905 17867
3429 1 19 . 1 1 97 97 GLU CB C 330 28.900 28.900 28.835 0.065 17867
3430 1 19 . 1 1 97 97 GLU H H 330 8.679 8.679 8.569 0.110 17867
3431 1 19 . 1 1 98 98 ARG N N 331 121.169 121.169 119.871 1.298 17867
3432 1 19 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.035 0.095 17867
3433 1 19 . 1 1 98 98 ARG C C 331 178.900 178.900 178.679 0.221 17867
3434 1 19 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.091 0.269 17867
3435 1 19 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.096 10.963 17867
3436 1 19 . 1 1 98 98 ARG H H 331 8.201 8.201 7.871 0.330 17867
3437 1 19 . 1 1 99 99 ILE N N 332 120.544 120.544 119.256 1.288 17867
3438 1 19 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.595 0.235 17867
3439 1 19 . 1 1 99 99 ILE C C 332 178.400 178.400 177.875 0.525 17867
3440 1 19 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.823 0.097 17867
3441 1 19 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.862 0.448 17867
3442 1 19 . 1 1 99 99 ILE H H 332 8.320 8.320 8.289 0.031 17867
3443 1 19 . 1 1 100 100 ALA N N 333 122.141 122.141 122.733 -0.592 17867
3444 1 19 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.087 -0.267 17867
3445 1 19 . 1 1 100 100 ALA C C 333 179.500 179.500 179.823 -0.323 17867
3446 1 19 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.328 0.312 17867
3447 1 19 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.270 -0.030 17867
3448 1 19 . 1 1 100 100 ALA H H 333 8.709 8.709 7.717 0.992 17867
3449 1 19 . 1 1 101 101 PHE N N 334 118.102 118.102 117.256 0.846 17867
3450 1 19 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.333 0.017 17867
3451 1 19 . 1 1 101 101 PHE C C 334 179.400 179.400 179.144 0.256 17867
3452 1 19 . 1 1 101 101 PHE CA C 334 60.710 60.710 58.624 2.086 17867
3453 1 19 . 1 1 101 101 PHE CB C 334 38.870 38.870 37.710 1.160 17867
3454 1 19 . 1 1 101 101 PHE H H 334 8.275 8.275 8.109 0.166 17867
3455 1 19 . 1 1 102 102 GLN N N 335 119.590 119.590 117.631 1.959 17867
3456 1 19 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.112 -0.222 17867
3457 1 19 . 1 1 102 102 GLN C C 335 176.900 176.900 177.054 -0.154 17867
3458 1 19 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.050 0.080 17867
3459 1 19 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.125 0.275 17867
3460 1 19 . 1 1 102 102 GLN H H 335 8.382 8.382 8.161 0.221 17867
3461 1 19 . 1 1 103 103 HIS N N 336 114.779 114.779 114.783 -0.004 17867
3462 1 19 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.791 -0.291 17867
3463 1 19 . 1 1 103 103 HIS C C 336 174.800 174.800 175.685 -0.885 17867
3464 1 19 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.954 0.686 17867
3465 1 19 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.468 -0.128 17867
3466 1 19 . 1 1 103 103 HIS H H 336 7.753 7.753 7.476 0.277 17867
3467 1 19 . 1 1 104 104 GLY N N 337 108.669 108.669 107.785 0.884 17867
3468 1 19 . 1 1 104 104 GLY C C 337 174.400 174.400 174.146 0.254 17867
3469 1 19 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.401 1.038 17867
3470 1 19 . 1 1 104 104 GLY H H 337 7.698 7.698 7.767 -0.069 17867
3471 1 19 . 1 1 105 105 VAL N N 338 120.862 120.862 121.741 -0.879 17867
3472 1 19 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.329 -0.329 17867
3473 1 19 . 1 1 105 105 VAL C C 338 175.900 175.900 176.005 -0.105 17867
3474 1 19 . 1 1 105 105 VAL CA C 338 62.460 62.460 61.839 0.621 17867
3475 1 19 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.379 -0.319 17867
3476 1 19 . 1 1 105 105 VAL H H 338 8.216 8.216 8.210 0.006 17867
3477 1 19 . 1 1 106 106 THR N N 339 117.786 117.786 117.017 0.769 17867
3478 1 19 . 1 1 106 106 THR HA H 339 4.340 4.340 4.618 -0.278 17867
3479 1 19 . 1 1 106 106 THR C C 339 174.800 174.800 174.916 -0.116 17867
3480 1 19 . 1 1 106 106 THR CA C 339 62.500 62.500 62.825 -0.325 17867
3481 1 19 . 1 1 106 106 THR CB C 339 69.300 69.300 69.495 -0.195 17867
3482 1 19 . 1 1 106 106 THR H H 339 8.285 8.285 8.529 -0.244 17867
3483 1 19 . 1 1 107 107 ASP N N 340 122.147 122.147 123.755 -1.608 17867
3484 1 19 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.786 -0.506 17867
3485 1 19 . 1 1 107 107 ASP C C 340 175.800 175.800 176.297 -0.497 17867
3486 1 19 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.990 -0.550 17867
3487 1 19 . 1 1 107 107 ASP CB C 340 40.020 40.020 39.894 0.126 17867
3488 1 19 . 1 1 107 107 ASP H H 340 8.068 8.068 8.018 0.050 17867
3489 1 19 . 1 1 108 108 LEU N N 341 125.614 125.614 126.128 -0.514 17867
3490 1 19 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.102 -0.142 17867
3491 1 19 . 1 1 108 108 LEU C C 341 178.200 178.200 177.907 0.293 17867
3492 1 19 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.234 0.306 17867
3493 1 19 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.304 -0.584 17867
3494 1 19 . 1 1 108 108 LEU H H 341 8.520 8.520 7.800 0.720 17867
3495 1 19 . 1 1 109 109 ARG N N 342 118.141 118.141 118.766 -0.625 17867
3496 1 19 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.975 -0.045 17867
3497 1 19 . 1 1 109 109 ARG C C 342 179.500 179.500 178.804 0.696 17867
3498 1 19 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.436 0.124 17867
3499 1 19 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.501 0.049 17867
3500 1 19 . 1 1 109 109 ARG H H 342 8.501 8.501 8.561 -0.060 17867
3501 1 19 . 1 1 110 110 GLY N N 343 108.347 108.347 108.228 0.119 17867
3502 1 19 . 1 1 110 110 GLY C C 343 176.300 176.300 176.303 -0.003 17867
3503 1 19 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.991 -0.051 17867
3504 1 19 . 1 1 110 110 GLY H H 343 8.353 8.353 8.894 -0.541 17867
3505 1 19 . 1 1 111 111 MET N N 344 122.736 122.736 120.728 2.008 17867
3506 1 19 . 1 1 111 111 MET HA H 344 4.170 4.170 4.289 -0.119 17867
3507 1 19 . 1 1 111 111 MET C C 344 177.800 177.800 178.364 -0.564 17867
3508 1 19 . 1 1 111 111 MET CA C 344 58.620 58.620 56.761 1.859 17867
3509 1 19 . 1 1 111 111 MET CB C 344 32.780 32.780 31.864 0.916 17867
3510 1 19 . 1 1 111 111 MET H H 344 7.984 7.984 7.600 0.384 17867
3511 1 19 . 1 1 112 112 LEU N N 345 118.666 118.666 120.114 -1.448 17867
3512 1 19 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.896 0.094 17867
3513 1 19 . 1 1 112 112 LEU C C 345 179.400 179.400 178.701 0.699 17867
3514 1 19 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.619 0.021 17867
3515 1 19 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.148 0.032 17867
3516 1 19 . 1 1 112 112 LEU H H 345 8.340 8.340 8.517 -0.177 17867
3517 1 19 . 1 1 113 113 LYS N N 346 119.190 119.190 119.778 -0.588 17867
3518 1 19 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.980 0.060 17867
3519 1 19 . 1 1 113 113 LYS C C 346 179.000 179.000 178.438 0.562 17867
3520 1 19 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.134 0.006 17867
3521 1 19 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.183 0.157 17867
3522 1 19 . 1 1 113 113 LYS H H 346 7.786 7.786 8.141 -0.355 17867
3523 1 19 . 1 1 114 114 ARG N N 347 119.664 119.664 117.522 2.142 17867
3524 1 19 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.753 0.327 17867
3525 1 19 . 1 1 114 114 ARG C C 347 178.600 178.600 177.279 1.321 17867
3526 1 19 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.389 0.981 17867
3527 1 19 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.966 0.154 17867
3528 1 19 . 1 1 114 114 ARG H H 347 7.786 7.786 7.471 0.315 17867
3529 1 19 . 1 1 115 115 LEU N N 348 120.259 120.259 120.553 -0.294 17867
3530 1 19 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.205 -0.075 17867
3531 1 19 . 1 1 115 115 LEU C C 348 178.500 178.500 177.189 1.311 17867
3532 1 19 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.864 0.136 17867
3533 1 19 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.530 -0.420 17867
3534 1 19 . 1 1 115 115 LEU H H 348 8.199 8.199 7.824 0.375 17867
3535 1 20 . 1 1 83 83 ASP N N 316 121.228 121.228 121.526 -0.298 17867
3536 1 20 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.684 -0.134 17867
3537 1 20 . 1 1 83 83 ASP C C 316 177.400 177.400 176.602 0.798 17867
3538 1 20 . 1 1 83 83 ASP CA C 316 54.770 54.770 52.859 1.911 17867
3539 1 20 . 1 1 83 83 ASP CB C 316 41.030 41.030 42.497 -1.467 17867
3540 1 20 . 1 1 83 83 ASP H H 316 8.199 8.199 8.483 -0.284 17867
3541 1 20 . 1 1 84 84 VAL N N 317 121.668 121.668 120.407 1.261 17867
3542 1 20 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.237 0.073 17867
3543 1 20 . 1 1 84 84 VAL C C 317 175.800 175.800 176.815 -1.015 17867
3544 1 20 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.118 -0.408 17867
3545 1 20 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.908 -0.868 17867
3546 1 20 . 1 1 84 84 VAL H H 317 8.096 8.096 8.392 -0.296 17867
3547 1 20 . 1 1 85 85 TRP N N 318 121.197 121.197 118.239 2.958 17867
3548 1 20 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.342 -0.082 17867
3549 1 20 . 1 1 85 85 TRP C C 318 177.500 177.500 176.634 0.866 17867
3550 1 20 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.058 0.552 17867
3551 1 20 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.313 0.507 17867
3552 1 20 . 1 1 85 85 TRP H H 318 7.706 7.706 7.945 -0.239 17867
3553 1 20 . 1 1 86 86 GLU N N 319 117.895 117.895 122.350 -4.455 17867
3554 1 20 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.768 0.282 17867
3555 1 20 . 1 1 86 86 GLU C C 319 178.500 178.500 177.847 0.653 17867
3556 1 20 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.493 -0.193 17867
3557 1 20 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.805 0.455 17867
3558 1 20 . 1 1 86 86 GLU H H 319 7.604 7.604 6.941 0.663 17867
3559 1 20 . 1 1 87 87 ILE N N 320 119.002 119.002 119.395 -0.393 17867
3560 1 20 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.792 -0.112 17867
3561 1 20 . 1 1 87 87 ILE C C 320 179.300 179.300 177.953 1.347 17867
3562 1 20 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.459 -0.109 17867
3563 1 20 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.260 -0.320 17867
3564 1 20 . 1 1 87 87 ILE H H 320 7.428 7.428 7.848 -0.420 17867
3565 1 20 . 1 1 88 88 LEU N N 321 119.705 119.705 120.250 -0.545 17867
3566 1 20 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.912 -0.062 17867
3567 1 20 . 1 1 88 88 LEU C C 321 178.600 178.600 178.539 0.061 17867
3568 1 20 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.685 -0.095 17867
3569 1 20 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.426 1.564 17867
3570 1 20 . 1 1 88 88 LEU H H 321 8.231 8.231 7.852 0.379 17867
3571 1 20 . 1 1 89 89 ARG N N 322 116.816 116.816 118.161 -1.345 17867
3572 1 20 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.025 -0.235 17867
3573 1 20 . 1 1 89 89 ARG C C 322 177.500 177.500 177.760 -0.260 17867
3574 1 20 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.968 0.212 17867
3575 1 20 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.171 -0.241 17867
3576 1 20 . 1 1 89 89 ARG H H 322 8.068 8.068 7.564 0.504 17867
3577 1 20 . 1 1 90 90 GLN N N 323 114.097 114.097 115.822 -1.725 17867
3578 1 20 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.403 0.017 17867
3579 1 20 . 1 1 90 90 GLN C C 323 175.300 175.300 175.838 -0.538 17867
3580 1 20 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.891 -0.701 17867
3581 1 20 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.617 -0.737 17867
3582 1 20 . 1 1 90 90 GLN H H 323 7.275 7.275 7.757 -0.482 17867
3583 1 20 . 1 1 91 91 ALA N N 324 124.443 124.443 124.209 0.234 17867
3584 1 20 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.675 -0.015 17867
3585 1 20 . 1 1 91 91 ALA C C 324 174.300 174.300 175.522 -1.222 17867
3586 1 20 . 1 1 91 91 ALA CA C 324 50.400 50.400 50.026 0.374 17867
3587 1 20 . 1 1 91 91 ALA CB C 324 18.930 18.930 18.916 0.014 17867
3588 1 20 . 1 1 91 91 ALA H H 324 7.634 7.634 8.039 -0.405 17867
3589 1 20 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.403 1.417 17867
3590 1 20 . 1 1 93 93 PRO C C 326 178.300 178.300 178.150 0.150 17867
3591 1 20 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.749 -1.019 17867
3592 1 20 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.327 0.463 17867
3593 1 20 . 1 1 94 94 SER N N 327 111.738 111.738 110.910 0.828 17867
3594 1 20 . 1 1 94 94 SER HA H 327 4.100 4.100 4.220 -0.120 17867
3595 1 20 . 1 1 94 94 SER C C 327 175.800 175.800 175.517 0.283 17867
3596 1 20 . 1 1 94 94 SER CA C 327 60.170 60.170 60.390 -0.220 17867
3597 1 20 . 1 1 94 94 SER CB C 327 62.070 62.070 62.773 -0.703 17867
3598 1 20 . 1 1 94 94 SER H H 327 7.938 7.938 8.152 -0.214 17867
3599 1 20 . 1 1 95 95 GLU N N 328 119.807 119.807 119.796 0.011 17867
3600 1 20 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.656 -0.126 17867
3601 1 20 . 1 1 95 95 GLU C C 328 176.500 176.500 176.273 0.227 17867
3602 1 20 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.195 0.365 17867
3603 1 20 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.874 0.836 17867
3604 1 20 . 1 1 95 95 GLU H H 328 8.201 8.201 7.820 0.381 17867
3605 1 20 . 1 1 96 96 TYR N N 329 118.008 118.008 120.234 -2.226 17867
3606 1 20 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.205 -0.005 17867
3607 1 20 . 1 1 96 96 TYR C C 329 177.300 177.300 177.825 -0.525 17867
3608 1 20 . 1 1 96 96 TYR CA C 329 58.690 58.690 59.748 -1.058 17867
3609 1 20 . 1 1 96 96 TYR CB C 329 37.030 37.030 38.195 -1.165 17867
3610 1 20 . 1 1 96 96 TYR H H 329 7.458 7.458 7.662 -0.204 17867
3611 1 20 . 1 1 97 97 GLU N N 330 117.216 117.216 118.835 -1.619 17867
3612 1 20 . 1 1 97 97 GLU HA H 330 3.870 3.870 4.110 -0.240 17867
3613 1 20 . 1 1 97 97 GLU C C 330 178.500 178.500 178.887 -0.387 17867
3614 1 20 . 1 1 97 97 GLU CA C 330 60.390 60.390 60.084 0.306 17867
3615 1 20 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.343 -0.443 17867
3616 1 20 . 1 1 97 97 GLU H H 330 8.679 8.679 8.776 -0.097 17867
3617 1 20 . 1 1 98 98 ARG N N 331 121.169 121.169 119.094 2.075 17867
3618 1 20 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.196 -0.066 17867
3619 1 20 . 1 1 98 98 ARG C C 331 178.900 178.900 178.898 0.002 17867
3620 1 20 . 1 1 98 98 ARG CA C 331 59.360 59.360 59.084 0.276 17867
3621 1 20 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.042 11.018 17867
3622 1 20 . 1 1 98 98 ARG H H 331 8.201 8.201 8.260 -0.059 17867
3623 1 20 . 1 1 99 99 ILE N N 332 120.544 120.544 119.760 0.784 17867
3624 1 20 . 1 1 99 99 ILE HA H 332 3.830 3.830 4.051 -0.221 17867
3625 1 20 . 1 1 99 99 ILE C C 332 178.400 178.400 177.922 0.478 17867
3626 1 20 . 1 1 99 99 ILE CA C 332 64.920 64.920 62.547 2.373 17867
3627 1 20 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.194 1.115 17867
3628 1 20 . 1 1 99 99 ILE H H 332 8.320 8.320 7.774 0.546 17867
3629 1 20 . 1 1 100 100 ALA N N 333 122.141 122.141 123.369 -1.228 17867
3630 1 20 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.131 -0.311 17867
3631 1 20 . 1 1 100 100 ALA C C 333 179.500 179.500 179.693 -0.193 17867
3632 1 20 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.010 0.630 17867
3633 1 20 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.340 -0.100 17867
3634 1 20 . 1 1 100 100 ALA H H 333 8.709 8.709 8.114 0.595 17867
3635 1 20 . 1 1 101 101 PHE N N 334 118.102 118.102 118.869 -0.767 17867
3636 1 20 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.089 0.261 17867
3637 1 20 . 1 1 101 101 PHE C C 334 179.400 179.400 177.465 1.935 17867
3638 1 20 . 1 1 101 101 PHE CA C 334 60.710 60.710 61.928 -1.218 17867
3639 1 20 . 1 1 101 101 PHE CB C 334 38.870 38.870 39.203 -0.333 17867
3640 1 20 . 1 1 101 101 PHE H H 334 8.275 8.275 8.286 -0.011 17867
3641 1 20 . 1 1 102 102 GLN N N 335 119.590 119.590 116.283 3.307 17867
3642 1 20 . 1 1 102 102 GLN HA H 335 3.890 3.890 3.936 -0.046 17867
3643 1 20 . 1 1 102 102 GLN C C 335 176.900 176.900 177.119 -0.219 17867
3644 1 20 . 1 1 102 102 GLN CA C 335 58.130 58.130 57.910 0.220 17867
3645 1 20 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.579 -0.179 17867
3646 1 20 . 1 1 102 102 GLN H H 335 8.382 8.382 7.880 0.502 17867
3647 1 20 . 1 1 103 103 HIS N N 336 114.779 114.779 115.266 -0.487 17867
3648 1 20 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.626 -0.126 17867
3649 1 20 . 1 1 103 103 HIS C C 336 174.800 174.800 175.399 -0.599 17867
3650 1 20 . 1 1 103 103 HIS CA C 336 56.640 56.640 56.037 0.603 17867
3651 1 20 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.209 0.131 17867
3652 1 20 . 1 1 103 103 HIS H H 336 7.753 7.753 7.469 0.284 17867
3653 1 20 . 1 1 104 104 GLY N N 337 108.669 108.669 107.864 0.805 17867
3654 1 20 . 1 1 104 104 GLY C C 337 174.400 174.400 174.012 0.388 17867
3655 1 20 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.531 0.909 17867
3656 1 20 . 1 1 104 104 GLY H H 337 7.698 7.698 7.739 -0.041 17867
3657 1 20 . 1 1 105 105 VAL N N 338 120.862 120.862 121.214 -0.352 17867
3658 1 20 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.200 -0.200 17867
3659 1 20 . 1 1 105 105 VAL C C 338 175.900 175.900 175.640 0.260 17867
3660 1 20 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.440 0.020 17867
3661 1 20 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.600 -0.540 17867
3662 1 20 . 1 1 105 105 VAL H H 338 8.216 8.216 8.068 0.148 17867
3663 1 20 . 1 1 106 106 THR N N 339 117.786 117.786 116.110 1.676 17867
3664 1 20 . 1 1 106 106 THR HA H 339 4.340 4.340 4.501 -0.161 17867
3665 1 20 . 1 1 106 106 THR C C 339 174.800 174.800 174.350 0.450 17867
3666 1 20 . 1 1 106 106 THR CA C 339 62.500 62.500 61.309 1.191 17867
3667 1 20 . 1 1 106 106 THR CB C 339 69.300 69.300 69.454 -0.154 17867
3668 1 20 . 1 1 106 106 THR H H 339 8.285 8.285 8.407 -0.122 17867
3669 1 20 . 1 1 107 107 ASP N N 340 122.147 122.147 122.709 -0.562 17867
3670 1 20 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.873 -0.593 17867
3671 1 20 . 1 1 107 107 ASP C C 340 175.800 175.800 175.684 0.116 17867
3672 1 20 . 1 1 107 107 ASP CA C 340 52.440 52.440 53.029 -0.589 17867
3673 1 20 . 1 1 107 107 ASP CB C 340 40.020 40.020 41.079 -1.059 17867
3674 1 20 . 1 1 107 107 ASP H H 340 8.068 8.068 8.116 -0.048 17867
3675 1 20 . 1 1 108 108 LEU N N 341 125.614 125.614 124.149 1.465 17867
3676 1 20 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.128 -0.168 17867
3677 1 20 . 1 1 108 108 LEU C C 341 178.200 178.200 178.541 -0.341 17867
3678 1 20 . 1 1 108 108 LEU CA C 341 57.540 57.540 56.856 0.684 17867
3679 1 20 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.259 -0.539 17867
3680 1 20 . 1 1 108 108 LEU H H 341 8.520 8.520 8.745 -0.225 17867
3681 1 20 . 1 1 109 109 ARG N N 342 118.141 118.141 119.518 -1.377 17867
3682 1 20 . 1 1 109 109 ARG HA H 342 3.930 3.930 4.116 -0.186 17867
3683 1 20 . 1 1 109 109 ARG C C 342 179.500 179.500 178.854 0.646 17867
3684 1 20 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.468 0.092 17867
3685 1 20 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.809 -0.260 17867
3686 1 20 . 1 1 109 109 ARG H H 342 8.501 8.501 8.067 0.434 17867
3687 1 20 . 1 1 110 110 GLY N N 343 108.347 108.347 107.755 0.592 17867
3688 1 20 . 1 1 110 110 GLY C C 343 176.300 176.300 176.259 0.041 17867
3689 1 20 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.767 0.173 17867
3690 1 20 . 1 1 110 110 GLY H H 343 8.353 8.353 8.778 -0.425 17867
3691 1 20 . 1 1 111 111 MET N N 344 122.736 122.736 120.183 2.553 17867
3692 1 20 . 1 1 111 111 MET HA H 344 4.170 4.170 4.407 -0.237 17867
3693 1 20 . 1 1 111 111 MET C C 344 177.800 177.800 178.327 -0.527 17867
3694 1 20 . 1 1 111 111 MET CA C 344 58.620 58.620 55.767 2.853 17867
3695 1 20 . 1 1 111 111 MET CB C 344 32.780 32.780 31.643 1.137 17867
3696 1 20 . 1 1 111 111 MET H H 344 7.984 7.984 7.585 0.399 17867
3697 1 20 . 1 1 112 112 LEU N N 345 118.666 118.666 122.068 -3.402 17867
3698 1 20 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.989 0.001 17867
3699 1 20 . 1 1 112 112 LEU C C 345 179.400 179.400 178.256 1.144 17867
3700 1 20 . 1 1 112 112 LEU CA C 345 57.640 57.640 58.292 -0.652 17867
3701 1 20 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.475 -0.295 17867
3702 1 20 . 1 1 112 112 LEU H H 345 8.340 8.340 8.351 -0.011 17867
3703 1 20 . 1 1 113 113 LYS N N 346 119.190 119.190 118.859 0.331 17867
3704 1 20 . 1 1 113 113 LYS HA H 346 4.040 4.040 3.944 0.096 17867
3705 1 20 . 1 1 113 113 LYS C C 346 179.000 179.000 178.499 0.501 17867
3706 1 20 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.202 -0.062 17867
3707 1 20 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.015 0.325 17867
3708 1 20 . 1 1 113 113 LYS H H 346 7.786 7.786 7.744 0.042 17867
3709 1 20 . 1 1 114 114 ARG N N 347 119.664 119.664 117.492 2.172 17867
3710 1 20 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.955 0.125 17867
3711 1 20 . 1 1 114 114 ARG C C 347 178.600 178.600 178.055 0.545 17867
3712 1 20 . 1 1 114 114 ARG CA C 347 58.370 58.370 58.061 0.309 17867
3713 1 20 . 1 1 114 114 ARG CB C 347 30.120 30.120 30.252 -0.132 17867
3714 1 20 . 1 1 114 114 ARG H H 347 7.786 7.786 7.468 0.318 17867
3715 1 20 . 1 1 115 115 LEU N N 348 120.259 120.259 118.726 1.533 17867
3716 1 20 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.204 -0.074 17867
3717 1 20 . 1 1 115 115 LEU C C 348 178.500 178.500 177.849 0.651 17867
3718 1 20 . 1 1 115 115 LEU CA C 348 57.000 57.000 56.574 0.426 17867
3719 1 20 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.156 -0.046 17867
3720 1 20 . 1 1 115 115 LEU H H 348 8.199 8.199 7.998 0.201 17867
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 31 1.146 0.142 1.156 17867
2 1 1 "Average Difference" HA 34 0.284 -0.007 0.288 17867
3 1 1 "Average Difference" C 32 0.576 -0.066 0.581 17867
4 1 1 "Average Difference" CA 32 0.981 -0.068 0.995 17867
5 1 1 "Average Difference" CB 30 2.115 -0.310 2.127 17867
6 1 1 "Average Difference" HN 31 0.400 0.028 0.406 17867
7 1 2 "Average Difference" N 31 1.531 0.052 1.555 17867
8 1 2 "Average Difference" HA 34 0.322 -0.026 0.326 17867
9 1 2 "Average Difference" C 32 0.704 -0.164 0.696 17867
10 1 2 "Average Difference" CA 32 0.981 -0.372 0.923 17867
11 1 2 "Average Difference" CB 30 2.049 -0.467 2.029 17867
12 1 2 "Average Difference" HN 31 0.396 -0.112 0.386 17867
13 1 3 "Average Difference" N 31 1.483 0.138 1.501 17867
14 1 3 "Average Difference" HA 34 0.286 -0.004 0.290 17867
15 1 3 "Average Difference" C 32 0.558 -0.116 0.554 17867
16 1 3 "Average Difference" CA 32 0.789 -0.257 0.758 17867
17 1 3 "Average Difference" CB 30 2.047 -0.344 2.053 17867
18 1 3 "Average Difference" HN 31 0.386 -0.108 0.377 17867
19 1 4 "Average Difference" N 31 1.636 0.057 1.662 17867
20 1 4 "Average Difference" HA 34 0.304 -0.005 0.309 17867
21 1 4 "Average Difference" C 32 0.711 -0.057 0.720 17867
22 1 4 "Average Difference" CA 32 0.801 -0.247 0.774 17867
23 1 4 "Average Difference" CB 30 2.076 -0.442 2.063 17867
24 1 4 "Average Difference" HN 31 0.390 -0.093 0.385 17867
25 1 5 "Average Difference" N 31 1.310 -0.020 1.331 17867
26 1 5 "Average Difference" HA 34 0.288 -0.027 0.291 17867
27 1 5 "Average Difference" C 32 0.627 -0.027 0.637 17867
28 1 5 "Average Difference" CA 32 0.790 -0.120 0.794 17867
29 1 5 "Average Difference" CB 30 2.125 -0.425 2.118 17867
30 1 5 "Average Difference" HN 31 0.382 -0.069 0.382 17867
31 1 6 "Average Difference" N 31 1.306 0.123 1.322 17867
32 1 6 "Average Difference" HA 34 0.272 -0.018 0.276 17867
33 1 6 "Average Difference" C 32 0.689 -0.043 0.699 17867
34 1 6 "Average Difference" CA 32 0.787 -0.207 0.772 17867
35 1 6 "Average Difference" CB 30 2.126 -0.453 2.112 17867
36 1 6 "Average Difference" HN 31 0.433 -0.063 0.435 17867
37 1 7 "Average Difference" N 31 1.497 0.139 1.516 17867
38 1 7 "Average Difference" HA 34 0.350 -0.025 0.354 17867
39 1 7 "Average Difference" C 32 0.724 -0.074 0.732 17867
40 1 7 "Average Difference" CA 32 0.810 -0.176 0.803 17867
41 1 7 "Average Difference" CB 30 2.037 -0.371 2.037 17867
42 1 7 "Average Difference" HN 31 0.343 0.004 0.348 17867
43 1 8 "Average Difference" N 31 1.202 0.047 1.220 17867
44 1 8 "Average Difference" HA 34 0.323 -0.021 0.327 17867
45 1 8 "Average Difference" C 32 0.570 -0.083 0.573 17867
46 1 8 "Average Difference" CA 32 0.749 -0.212 0.730 17867
47 1 8 "Average Difference" CB 30 2.072 -0.298 2.085 17867
48 1 8 "Average Difference" HN 31 0.354 -0.005 0.360 17867
49 1 9 "Average Difference" N 31 1.494 0.037 1.518 17867
50 1 9 "Average Difference" HA 34 0.329 0.019 0.334 17867
51 1 9 "Average Difference" C 32 0.573 -0.051 0.580 17867
52 1 9 "Average Difference" CA 32 0.682 -0.113 0.683 17867
53 1 9 "Average Difference" CB 30 2.028 -0.438 2.014 17867
54 1 9 "Average Difference" HN 31 0.345 -0.070 0.344 17867
55 1 10 "Average Difference" N 31 1.827 -0.225 1.843 17867
56 1 10 "Average Difference" HA 34 0.297 0.002 0.301 17867
57 1 10 "Average Difference" C 32 0.587 -0.100 0.588 17867
58 1 10 "Average Difference" CA 32 0.796 -0.314 0.743 17867
59 1 10 "Average Difference" CB 30 2.066 -0.535 2.030 17867
60 1 10 "Average Difference" HN 31 0.376 -0.131 0.358 17867
61 1 11 "Average Difference" N 31 1.306 -0.044 1.327 17867
62 1 11 "Average Difference" HA 34 0.299 -0.014 0.303 17867
63 1 11 "Average Difference" C 32 0.764 -0.143 0.763 17867
64 1 11 "Average Difference" CA 32 0.967 -0.319 0.927 17867
65 1 11 "Average Difference" CB 30 2.090 -0.412 2.084 17867
66 1 11 "Average Difference" HN 31 0.366 -0.086 0.362 17867
67 1 12 "Average Difference" N 31 1.449 0.016 1.473 17867
68 1 12 "Average Difference" HA 34 0.279 -0.015 0.283 17867
69 1 12 "Average Difference" C 32 0.837 -0.101 0.844 17867
70 1 12 "Average Difference" CA 32 0.936 -0.120 0.943 17867
71 1 12 "Average Difference" CB 30 2.088 -0.377 2.089 17867
72 1 12 "Average Difference" HN 31 0.364 -0.040 0.368 17867
73 1 13 "Average Difference" N 31 1.418 0.170 1.431 17867
74 1 13 "Average Difference" HA 34 0.315 -0.029 0.319 17867
75 1 13 "Average Difference" C 32 0.675 -0.113 0.676 17867
76 1 13 "Average Difference" CA 32 0.745 -0.124 0.747 17867
77 1 13 "Average Difference" CB 30 2.096 -0.422 2.089 17867
78 1 13 "Average Difference" HN 31 0.394 -0.048 0.398 17867
79 1 14 "Average Difference" N 31 1.637 0.135 1.659 17867
80 1 14 "Average Difference" HA 34 0.305 -0.012 0.309 17867
81 1 14 "Average Difference" C 32 0.649 -0.002 0.660 17867
82 1 14 "Average Difference" CA 32 0.807 -0.155 0.805 17867
83 1 14 "Average Difference" CB 30 2.059 -0.451 2.043 17867
84 1 14 "Average Difference" HN 31 0.393 -0.118 0.381 17867
85 1 15 "Average Difference" N 31 1.647 -0.106 1.671 17867
86 1 15 "Average Difference" HA 34 0.296 0.004 0.301 17867
87 1 15 "Average Difference" C 32 0.622 -0.173 0.607 17867
88 1 15 "Average Difference" CA 32 0.814 -0.353 0.746 17867
89 1 15 "Average Difference" CB 30 2.050 -0.514 2.018 17867
90 1 15 "Average Difference" HN 31 0.361 -0.109 0.350 17867
91 1 16 "Average Difference" N 31 1.618 0.159 1.637 17867
92 1 16 "Average Difference" HA 34 0.307 0.005 0.312 17867
93 1 16 "Average Difference" C 32 0.631 -0.123 0.629 17867
94 1 16 "Average Difference" CA 32 0.779 -0.228 0.757 17867
95 1 16 "Average Difference" CB 30 2.093 -0.384 2.093 17867
96 1 16 "Average Difference" HN 31 0.427 -0.097 0.423 17867
97 1 17 "Average Difference" N 31 1.434 -0.252 1.435 17867
98 1 17 "Average Difference" HA 34 0.288 -0.018 0.292 17867
99 1 17 "Average Difference" C 32 0.540 -0.057 0.546 17867
100 1 17 "Average Difference" CA 32 0.863 -0.204 0.852 17867
101 1 17 "Average Difference" CB 30 2.101 -0.477 2.081 17867
102 1 17 "Average Difference" HN 31 0.358 -0.105 0.348 17867
103 1 18 "Average Difference" N 31 1.531 0.030 1.556 17867
104 1 18 "Average Difference" HA 34 0.299 -0.005 0.303 17867
105 1 18 "Average Difference" C 32 0.662 -0.179 0.647 17867
106 1 18 "Average Difference" CA 32 0.852 -0.359 0.785 17867
107 1 18 "Average Difference" CB 30 2.084 -0.544 2.047 17867
108 1 18 "Average Difference" HN 31 0.371 -0.125 0.355 17867
109 1 19 "Average Difference" N 31 1.393 0.176 1.405 17867
110 1 19 "Average Difference" HA 34 0.331 -0.007 0.336 17867
111 1 19 "Average Difference" C 32 0.672 -0.110 0.673 17867
112 1 19 "Average Difference" CA 32 0.753 -0.286 0.708 17867
113 1 19 "Average Difference" CB 30 2.096 -0.519 2.065 17867
114 1 19 "Average Difference" HN 31 0.370 -0.134 0.351 17867
115 1 20 "Average Difference" N 31 1.756 -0.058 1.784 17867
116 1 20 "Average Difference" HA 34 0.326 -0.003 0.331 17867
117 1 20 "Average Difference" C 32 0.685 -0.179 0.672 17867
118 1 20 "Average Difference" CA 32 0.923 -0.255 0.901 17867
119 1 20 "Average Difference" CB 30 2.126 -0.266 2.145 17867
120 1 20 "Average Difference" HN 31 0.342 -0.059 0.343 17867
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 17867
_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 83 83 ASP N N 316 121.228 121.228 120.649 0.579 17867
2 1 . 1 1 83 83 ASP HA H 316 4.550 4.550 4.632 -0.082 17867
3 1 . 1 1 83 83 ASP C C 316 177.400 177.400 177.036 0.364 17867
4 1 . 1 1 83 83 ASP CA C 316 54.770 54.770 53.702 1.068 17867
5 1 . 1 1 83 83 ASP CB C 316 41.030 41.030 41.324 -0.294 17867
6 1 . 1 1 83 83 ASP H H 316 8.199 8.199 8.531 -0.332 17867
7 1 . 1 1 84 84 VAL N N 317 121.668 121.668 119.977 1.691 17867
8 1 . 1 1 84 84 VAL HA H 317 3.310 3.310 3.410 -0.100 17867
9 1 . 1 1 84 84 VAL C C 317 175.800 175.800 177.045 -1.245 17867
10 1 . 1 1 84 84 VAL CA C 317 64.710 64.710 65.297 -0.587 17867
11 1 . 1 1 84 84 VAL CB C 317 31.040 31.040 31.863 -0.823 17867
12 1 . 1 1 84 84 VAL H H 317 8.096 8.096 8.342 -0.246 17867
13 1 . 1 1 85 85 TRP N N 318 121.197 121.197 118.643 2.554 17867
14 1 . 1 1 85 85 TRP HA H 318 4.260 4.260 4.251 0.009 17867
15 1 . 1 1 85 85 TRP C C 318 177.500 177.500 177.049 0.451 17867
16 1 . 1 1 85 85 TRP CA C 318 59.610 59.610 59.241 0.369 17867
17 1 . 1 1 85 85 TRP CB C 318 28.820 28.820 28.394 0.426 17867
18 1 . 1 1 85 85 TRP H H 318 7.706 7.706 8.060 -0.354 17867
19 1 . 1 1 86 86 GLU N N 319 117.895 117.895 120.308 -2.413 17867
20 1 . 1 1 86 86 GLU HA H 319 4.050 4.050 3.685 0.365 17867
21 1 . 1 1 86 86 GLU C C 319 178.500 178.500 178.180 0.320 17867
22 1 . 1 1 86 86 GLU CA C 319 58.300 58.300 58.575 -0.275 17867
23 1 . 1 1 86 86 GLU CB C 319 29.260 29.260 28.755 0.505 17867
24 1 . 1 1 86 86 GLU H H 319 7.604 7.604 7.068 0.536 17867
25 1 . 1 1 87 87 ILE N N 320 119.002 119.002 119.413 -0.411 17867
26 1 . 1 1 87 87 ILE HA H 320 3.680 3.680 3.786 -0.106 17867
27 1 . 1 1 87 87 ILE C C 320 179.300 179.300 178.031 1.269 17867
28 1 . 1 1 87 87 ILE CA C 320 64.350 64.350 64.086 0.264 17867
29 1 . 1 1 87 87 ILE CB C 320 37.940 37.940 38.117 -0.177 17867
30 1 . 1 1 87 87 ILE H H 320 7.428 7.428 7.686 -0.258 17867
31 1 . 1 1 88 88 LEU N N 321 119.705 119.705 119.707 -0.002 17867
32 1 . 1 1 88 88 LEU HA H 321 3.850 3.850 3.978 -0.128 17867
33 1 . 1 1 88 88 LEU C C 321 178.600 178.600 178.920 -0.320 17867
34 1 . 1 1 88 88 LEU CA C 321 57.590 57.590 57.480 0.110 17867
35 1 . 1 1 88 88 LEU CB C 321 41.990 41.990 40.752 1.238 17867
36 1 . 1 1 88 88 LEU H H 321 8.231 8.231 8.098 0.133 17867
37 1 . 1 1 89 89 ARG N N 322 116.816 116.816 118.669 -1.853 17867
38 1 . 1 1 89 89 ARG HA H 322 3.790 3.790 4.046 -0.256 17867
39 1 . 1 1 89 89 ARG C C 322 177.500 177.500 177.574 -0.074 17867
40 1 . 1 1 89 89 ARG CA C 322 59.180 59.180 58.833 0.347 17867
41 1 . 1 1 89 89 ARG CB C 322 29.930 29.930 30.205 -0.275 17867
42 1 . 1 1 89 89 ARG H H 322 8.068 8.068 7.663 0.405 17867
43 1 . 1 1 90 90 GLN N N 323 114.097 114.097 115.954 -1.857 17867
44 1 . 1 1 90 90 GLN HA H 323 4.420 4.420 4.444 -0.024 17867
45 1 . 1 1 90 90 GLN C C 323 175.300 175.300 175.573 -0.273 17867
46 1 . 1 1 90 90 GLN CA C 323 55.190 55.190 55.498 -0.308 17867
47 1 . 1 1 90 90 GLN CB C 323 29.880 29.880 30.063 -0.183 17867
48 1 . 1 1 90 90 GLN H H 323 7.275 7.275 7.679 -0.404 17867
49 1 . 1 1 91 91 ALA N N 324 124.443 124.443 124.402 0.040 17867
50 1 . 1 1 91 91 ALA HA H 324 4.660 4.660 4.719 -0.059 17867
51 1 . 1 1 91 91 ALA C C 324 174.300 174.300 175.160 -0.860 17867
52 1 . 1 1 91 91 ALA CA C 324 50.400 50.400 49.948 0.452 17867
53 1 . 1 1 91 91 ALA CB C 324 18.930 18.930 19.074 -0.144 17867
54 1 . 1 1 91 91 ALA H H 324 7.634 7.634 7.708 -0.074 17867
55 1 . 1 1 93 93 PRO HA H 326 3.820 3.820 2.543 1.277 17867
56 1 . 1 1 93 93 PRO C C 326 178.300 178.300 177.780 0.520 17867
57 1 . 1 1 93 93 PRO CA C 326 63.730 63.730 64.613 -0.883 17867
58 1 . 1 1 93 93 PRO CB C 326 31.790 31.790 31.428 0.362 17867
59 1 . 1 1 94 94 SER N N 327 111.738 111.738 112.098 -0.360 17867
60 1 . 1 1 94 94 SER HA H 327 4.100 4.100 4.239 -0.139 17867
61 1 . 1 1 94 94 SER C C 327 175.800 175.800 175.559 0.241 17867
62 1 . 1 1 94 94 SER CA C 327 60.170 60.170 60.341 -0.171 17867
63 1 . 1 1 94 94 SER CB C 327 62.070 62.070 62.596 -0.526 17867
64 1 . 1 1 94 94 SER H H 327 7.938 7.938 8.041 -0.103 17867
65 1 . 1 1 95 95 GLU N N 328 119.807 119.807 119.689 0.118 17867
66 1 . 1 1 95 95 GLU HA H 328 4.530 4.530 4.552 -0.022 17867
67 1 . 1 1 95 95 GLU C C 328 176.500 176.500 177.131 -0.631 17867
68 1 . 1 1 95 95 GLU CA C 328 55.560 55.560 55.617 -0.057 17867
69 1 . 1 1 95 95 GLU CB C 328 30.710 30.710 29.591 1.119 17867
70 1 . 1 1 95 95 GLU H H 328 8.201 8.201 7.671 0.530 17867
71 1 . 1 1 96 96 TYR N N 329 118.008 118.008 120.228 -2.220 17867
72 1 . 1 1 96 96 TYR HA H 329 4.200 4.200 4.078 0.122 17867
73 1 . 1 1 96 96 TYR C C 329 177.300 177.300 177.758 -0.458 17867
74 1 . 1 1 96 96 TYR CA C 329 58.690 58.690 60.110 -1.420 17867
75 1 . 1 1 96 96 TYR CB C 329 37.030 37.030 37.719 -0.689 17867
76 1 . 1 1 96 96 TYR H H 329 7.458 7.458 7.376 0.082 17867
77 1 . 1 1 97 97 GLU N N 330 117.216 117.216 118.595 -1.379 17867
78 1 . 1 1 97 97 GLU HA H 330 3.870 3.870 3.651 0.219 17867
79 1 . 1 1 97 97 GLU C C 330 178.500 178.500 178.495 0.005 17867
80 1 . 1 1 97 97 GLU CA C 330 60.390 60.390 59.738 0.652 17867
81 1 . 1 1 97 97 GLU CB C 330 28.900 28.900 29.049 -0.149 17867
82 1 . 1 1 97 97 GLU H H 330 8.679 8.679 8.674 0.005 17867
83 1 . 1 1 98 98 ARG N N 331 121.169 121.169 119.058 2.111 17867
84 1 . 1 1 98 98 ARG HA H 331 4.130 4.130 4.065 0.065 17867
85 1 . 1 1 98 98 ARG C C 331 178.900 178.900 179.054 -0.154 17867
86 1 . 1 1 98 98 ARG CA C 331 59.360 59.360 58.993 0.367 17867
87 1 . 1 1 98 98 ARG CB C 331 41.060 41.060 30.130 10.930 17867
88 1 . 1 1 98 98 ARG H H 331 8.201 8.201 7.921 0.280 17867
89 1 . 1 1 99 99 ILE N N 332 120.544 120.544 119.890 0.654 17867
90 1 . 1 1 99 99 ILE HA H 332 3.830 3.830 3.812 0.018 17867
91 1 . 1 1 99 99 ILE C C 332 178.400 178.400 177.846 0.554 17867
92 1 . 1 1 99 99 ILE CA C 332 64.920 64.920 64.139 0.781 17867
93 1 . 1 1 99 99 ILE CB C 332 38.310 38.310 37.571 0.739 17867
94 1 . 1 1 99 99 ILE H H 332 8.320 8.320 8.247 0.073 17867
95 1 . 1 1 100 100 ALA N N 333 122.141 122.141 123.154 -1.013 17867
96 1 . 1 1 100 100 ALA HA H 333 3.820 3.820 4.098 -0.278 17867
97 1 . 1 1 100 100 ALA C C 333 179.500 179.500 179.823 -0.323 17867
98 1 . 1 1 100 100 ALA CA C 333 55.640 55.640 55.235 0.405 17867
99 1 . 1 1 100 100 ALA CB C 333 18.240 18.240 18.343 -0.103 17867
100 1 . 1 1 100 100 ALA H H 333 8.709 8.709 7.912 0.797 17867
101 1 . 1 1 101 101 PHE N N 334 118.102 118.102 117.181 0.921 17867
102 1 . 1 1 101 101 PHE HA H 334 4.350 4.350 4.363 -0.013 17867
103 1 . 1 1 101 101 PHE C C 334 179.400 179.400 178.727 0.673 17867
104 1 . 1 1 101 101 PHE CA C 334 60.710 60.710 59.107 1.603 17867
105 1 . 1 1 101 101 PHE CB C 334 38.870 38.870 38.082 0.788 17867
106 1 . 1 1 101 101 PHE H H 334 8.275 8.275 8.055 0.220 17867
107 1 . 1 1 102 102 GLN N N 335 119.590 119.590 118.148 1.442 17867
108 1 . 1 1 102 102 GLN HA H 335 3.890 3.890 4.089 -0.199 17867
109 1 . 1 1 102 102 GLN C C 335 176.900 176.900 176.960 -0.060 17867
110 1 . 1 1 102 102 GLN CA C 335 58.130 58.130 58.046 0.084 17867
111 1 . 1 1 102 102 GLN CB C 335 28.400 28.400 28.447 -0.047 17867
112 1 . 1 1 102 102 GLN H H 335 8.382 8.382 7.986 0.396 17867
113 1 . 1 1 103 103 HIS N N 336 114.779 114.779 115.417 -0.638 17867
114 1 . 1 1 103 103 HIS HA H 336 4.500 4.500 4.715 -0.215 17867
115 1 . 1 1 103 103 HIS C C 336 174.800 174.800 175.221 -0.421 17867
116 1 . 1 1 103 103 HIS CA C 336 56.640 56.640 55.797 0.843 17867
117 1 . 1 1 103 103 HIS CB C 336 30.340 30.340 30.155 0.185 17867
118 1 . 1 1 103 103 HIS H H 336 7.753 7.753 7.638 0.115 17867
119 1 . 1 1 104 104 GLY N N 337 108.669 108.669 107.962 0.707 17867
120 1 . 1 1 104 104 GLY C C 337 174.400 174.400 174.263 0.137 17867
121 1 . 1 1 104 104 GLY CA C 337 46.440 46.440 45.488 0.952 17867
122 1 . 1 1 104 104 GLY H H 337 7.698 7.698 7.739 -0.041 17867
123 1 . 1 1 105 105 VAL N N 338 120.862 120.862 121.622 -0.760 17867
124 1 . 1 1 105 105 VAL HA H 338 4.000 4.000 4.243 -0.243 17867
125 1 . 1 1 105 105 VAL C C 338 175.900 175.900 175.954 -0.054 17867
126 1 . 1 1 105 105 VAL CA C 338 62.460 62.460 62.229 0.231 17867
127 1 . 1 1 105 105 VAL CB C 338 32.060 32.060 32.346 -0.286 17867
128 1 . 1 1 105 105 VAL H H 338 8.216 8.216 8.178 0.038 17867
129 1 . 1 1 106 106 THR N N 339 117.786 117.786 117.342 0.444 17867
130 1 . 1 1 106 106 THR HA H 339 4.340 4.340 4.459 -0.119 17867
131 1 . 1 1 106 106 THR C C 339 174.800 174.800 174.873 -0.073 17867
132 1 . 1 1 106 106 THR CA C 339 62.500 62.500 62.780 -0.280 17867
133 1 . 1 1 106 106 THR CB C 339 69.300 69.300 69.509 -0.209 17867
134 1 . 1 1 106 106 THR H H 339 8.285 8.285 8.549 -0.264 17867
135 1 . 1 1 107 107 ASP N N 340 122.147 122.147 123.680 -1.533 17867
136 1 . 1 1 107 107 ASP HA H 340 4.280 4.280 4.800 -0.520 17867
137 1 . 1 1 107 107 ASP C C 340 175.800 175.800 176.170 -0.370 17867
138 1 . 1 1 107 107 ASP CA C 340 52.440 52.440 52.817 -0.377 17867
139 1 . 1 1 107 107 ASP CB C 340 40.020 40.020 40.076 -0.056 17867
140 1 . 1 1 107 107 ASP H H 340 8.068 8.068 8.013 0.055 17867
141 1 . 1 1 108 108 LEU N N 341 125.614 125.614 125.921 -0.307 17867
142 1 . 1 1 108 108 LEU HA H 341 3.960 3.960 4.079 -0.119 17867
143 1 . 1 1 108 108 LEU C C 341 178.200 178.200 177.906 0.294 17867
144 1 . 1 1 108 108 LEU CA C 341 57.540 57.540 57.286 0.254 17867
145 1 . 1 1 108 108 LEU CB C 341 41.720 41.720 42.325 -0.605 17867
146 1 . 1 1 108 108 LEU H H 341 8.520 8.520 7.880 0.640 17867
147 1 . 1 1 109 109 ARG N N 342 118.141 118.141 118.832 -0.691 17867
148 1 . 1 1 109 109 ARG HA H 342 3.930 3.930 3.984 -0.054 17867
149 1 . 1 1 109 109 ARG C C 342 179.500 179.500 178.813 0.687 17867
150 1 . 1 1 109 109 ARG CA C 342 59.560 59.560 59.461 0.099 17867
151 1 . 1 1 109 109 ARG CB C 342 29.550 29.550 29.592 -0.042 17867
152 1 . 1 1 109 109 ARG H H 342 8.501 8.501 8.468 0.033 17867
153 1 . 1 1 110 110 GLY N N 343 108.347 108.347 107.800 0.547 17867
154 1 . 1 1 110 110 GLY C C 343 176.300 176.300 176.207 0.093 17867
155 1 . 1 1 110 110 GLY CA C 343 46.940 46.940 46.908 0.032 17867
156 1 . 1 1 110 110 GLY H H 343 8.353 8.353 8.846 -0.493 17867
157 1 . 1 1 111 111 MET N N 344 122.736 122.736 121.028 1.708 17867
158 1 . 1 1 111 111 MET HA H 344 4.170 4.170 4.311 -0.141 17867
159 1 . 1 1 111 111 MET C C 344 177.800 177.800 178.351 -0.551 17867
160 1 . 1 1 111 111 MET CA C 344 58.620 58.620 56.872 1.748 17867
161 1 . 1 1 111 111 MET CB C 344 32.780 32.780 31.984 0.796 17867
162 1 . 1 1 111 111 MET H H 344 7.984 7.984 7.612 0.372 17867
163 1 . 1 1 112 112 LEU N N 345 118.666 118.666 119.562 -0.896 17867
164 1 . 1 1 112 112 LEU HA H 345 3.990 3.990 3.906 0.084 17867
165 1 . 1 1 112 112 LEU C C 345 179.400 179.400 178.798 0.602 17867
166 1 . 1 1 112 112 LEU CA C 345 57.640 57.640 57.455 0.185 17867
167 1 . 1 1 112 112 LEU CB C 345 41.180 41.180 41.037 0.143 17867
168 1 . 1 1 112 112 LEU H H 345 8.340 8.340 8.440 -0.100 17867
169 1 . 1 1 113 113 LYS N N 346 119.190 119.190 119.705 -0.515 17867
170 1 . 1 1 113 113 LYS HA H 346 4.040 4.040 4.009 0.031 17867
171 1 . 1 1 113 113 LYS C C 346 179.000 179.000 178.416 0.584 17867
172 1 . 1 1 113 113 LYS CA C 346 59.140 59.140 59.057 0.083 17867
173 1 . 1 1 113 113 LYS CB C 346 32.340 32.340 32.167 0.173 17867
174 1 . 1 1 113 113 LYS H H 346 7.786 7.786 8.046 -0.260 17867
175 1 . 1 1 114 114 ARG N N 347 119.664 119.664 117.892 1.772 17867
176 1 . 1 1 114 114 ARG HA H 347 4.080 4.080 3.892 0.188 17867
177 1 . 1 1 114 114 ARG C C 347 178.600 178.600 177.661 0.939 17867
178 1 . 1 1 114 114 ARG CA C 347 58.370 58.370 57.731 0.639 17867
179 1 . 1 1 114 114 ARG CB C 347 30.120 30.120 29.961 0.159 17867
180 1 . 1 1 114 114 ARG H H 347 7.786 7.786 7.568 0.218 17867
181 1 . 1 1 115 115 LEU N N 348 120.259 120.259 119.810 0.449 17867
182 1 . 1 1 115 115 LEU HA H 348 4.130 4.130 4.202 -0.072 17867
183 1 . 1 1 115 115 LEU C C 348 178.500 178.500 177.229 1.271 17867
184 1 . 1 1 115 115 LEU CA C 348 57.000 57.000 57.029 -0.029 17867
185 1 . 1 1 115 115 LEU CB C 348 42.110 42.110 42.392 -0.282 17867
186 1 . 1 1 115 115 LEU H H 348 8.199 8.199 7.810 0.389 17867
stop_
save_