data_25195 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25195 _Entry.PDB_ID 2MU0 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 25195 _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 9 9 MET C C 9 176.700 176.700 176.093 0.607 25195 2 1 1 . 1 1 9 9 MET CA C 9 55.600 55.600 56.589 -0.989 25195 3 1 1 . 1 1 9 9 MET CB C 9 32.700 32.700 32.918 -0.218 25195 4 1 1 . 1 1 10 10 GLY N N 10 109.800 109.800 113.018 -3.218 25195 5 1 1 . 1 1 10 10 GLY C C 10 174.400 174.400 174.951 -0.551 25195 6 1 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.322 -0.022 25195 7 1 1 . 1 1 10 10 GLY H H 10 8.480 8.480 8.644 -0.164 25195 8 1 1 . 1 1 11 11 THR N N 11 113.500 113.500 117.458 -3.958 25195 9 1 1 . 1 1 11 11 THR HA H 11 4.330 4.330 4.558 -0.228 25195 10 1 1 . 1 1 11 11 THR CA C 11 62.100 62.100 61.793 0.307 25195 11 1 1 . 1 1 11 11 THR CB C 11 69.900 69.900 68.818 1.082 25195 12 1 1 . 1 1 11 11 THR H H 11 8.080 8.080 8.052 0.028 25195 13 1 1 . 1 1 12 12 LEU N N 12 123.900 123.900 120.088 3.812 25195 14 1 1 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.819 -0.509 25195 15 1 1 . 1 1 12 12 LEU C C 12 177.700 177.700 175.501 2.199 25195 16 1 1 . 1 1 12 12 LEU CA C 12 55.800 55.800 53.396 2.404 25195 17 1 1 . 1 1 12 12 LEU CB C 12 42.200 42.200 43.721 -1.521 25195 18 1 1 . 1 1 12 12 LEU H H 12 8.390 8.390 7.376 1.014 25195 19 1 1 . 1 1 13 13 GLU N N 13 121.300 121.300 119.860 1.440 25195 20 1 1 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.685 -0.485 25195 21 1 1 . 1 1 13 13 GLU C C 13 176.500 176.500 175.311 1.189 25195 22 1 1 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.887 1.213 25195 23 1 1 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.391 -1.491 25195 24 1 1 . 1 1 13 13 GLU H H 13 8.430 8.430 8.496 -0.066 25195 25 1 1 . 1 1 14 14 ALA N N 14 124.100 124.100 125.402 -1.302 25195 26 1 1 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.640 -0.370 25195 27 1 1 . 1 1 14 14 ALA C C 14 177.900 177.900 176.573 1.327 25195 28 1 1 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.648 1.152 25195 29 1 1 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.202 -1.002 25195 30 1 1 . 1 1 14 14 ALA H H 14 8.270 8.270 8.212 0.058 25195 31 1 1 . 1 1 15 15 GLN N N 15 118.900 118.900 119.823 -0.923 25195 32 1 1 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.585 -0.345 25195 33 1 1 . 1 1 15 15 GLN C C 15 176.500 176.500 174.899 1.601 25195 34 1 1 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.588 0.212 25195 35 1 1 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.603 -0.203 25195 36 1 1 . 1 1 15 15 GLN H H 15 8.360 8.360 8.548 -0.188 25195 37 1 1 . 1 1 16 16 THR N N 16 114.900 114.900 117.576 -2.676 25195 38 1 1 . 1 1 16 16 THR HA H 16 4.360 4.360 4.314 0.046 25195 39 1 1 . 1 1 16 16 THR C C 16 174.600 174.600 172.858 1.742 25195 40 1 1 . 1 1 16 16 THR CA C 16 61.900 61.900 62.739 -0.839 25195 41 1 1 . 1 1 16 16 THR CB C 16 69.800 69.800 69.301 0.499 25195 42 1 1 . 1 1 16 16 THR H H 16 8.190 8.190 8.204 -0.014 25195 43 1 1 . 1 1 17 17 GLN N N 17 122.100 122.100 124.298 -2.198 25195 44 1 1 . 1 1 17 17 GLN C C 17 176.100 176.100 174.602 1.498 25195 45 1 1 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.115 0.585 25195 46 1 1 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.953 -0.253 25195 47 1 1 . 1 1 17 17 GLN H H 17 8.440 8.440 8.498 -0.058 25195 48 1 1 . 1 1 18 18 GLY N N 18 110.100 110.100 108.582 1.518 25195 49 1 1 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.800 -0.100 25195 50 1 1 . 1 1 18 18 GLY H H 18 8.370 8.370 8.304 0.066 25195 51 1 1 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.563 -0.123 25195 52 1 1 . 1 1 19 19 PRO C C 19 177.700 177.700 177.349 0.351 25195 53 1 1 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.578 1.122 25195 54 1 1 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.461 -0.060 25195 55 1 1 . 1 1 20 20 GLY N N 20 109.200 109.200 106.518 2.682 25195 56 1 1 . 1 1 20 20 GLY C C 20 174.400 174.400 174.481 -0.081 25195 57 1 1 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.727 0.673 25195 58 1 1 . 1 1 20 20 GLY H H 20 8.620 8.620 8.229 0.391 25195 59 1 1 . 1 1 21 21 SER N N 21 115.000 115.000 113.663 1.337 25195 60 1 1 . 1 1 21 21 SER HA H 21 4.420 4.420 4.269 0.151 25195 61 1 1 . 1 1 21 21 SER C C 21 174.600 174.600 174.347 0.253 25195 62 1 1 . 1 1 21 21 SER CA C 21 58.600 58.600 58.728 -0.128 25195 63 1 1 . 1 1 21 21 SER CB C 21 64.100 64.100 62.561 1.539 25195 64 1 1 . 1 1 21 21 SER H H 21 8.180 8.180 8.143 0.037 25195 65 1 1 . 1 1 22 22 MET N N 22 121.500 121.500 118.824 2.676 25195 66 1 1 . 1 1 22 22 MET HA H 22 4.440 4.440 4.435 0.005 25195 67 1 1 . 1 1 22 22 MET C C 22 175.100 175.100 174.774 0.326 25195 68 1 1 . 1 1 22 22 MET CA C 22 55.600 55.600 56.879 -1.279 25195 69 1 1 . 1 1 22 22 MET CB C 22 33.600 33.600 32.647 0.953 25195 70 1 1 . 1 1 22 22 MET H H 22 8.340 8.340 7.702 0.638 25195 71 1 1 . 1 1 23 23 ASP N N 23 123.000 123.000 123.260 -0.260 25195 72 1 1 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.879 -0.269 25195 73 1 1 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.911 0.889 25195 74 1 1 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.769 -0.069 25195 75 1 1 . 1 1 23 23 ASP H H 23 8.170 8.170 8.482 -0.312 25195 76 1 1 . 1 1 24 24 VAL N N 24 123.200 123.200 120.616 2.584 25195 77 1 1 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.749 0.291 25195 78 1 1 . 1 1 24 24 VAL C C 24 174.900 174.900 174.783 0.117 25195 79 1 1 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.935 -0.035 25195 80 1 1 . 1 1 24 24 VAL CB C 24 35.100 35.100 33.588 1.512 25195 81 1 1 . 1 1 24 24 VAL H H 24 8.210 8.210 8.266 -0.056 25195 82 1 1 . 1 1 25 25 THR N N 25 124.200 124.200 123.906 0.294 25195 83 1 1 . 1 1 25 25 THR HA H 25 5.310 5.310 4.597 0.713 25195 84 1 1 . 1 1 25 25 THR C C 25 172.300 172.300 173.007 -0.707 25195 85 1 1 . 1 1 25 25 THR CA C 25 61.800 61.800 61.240 0.560 25195 86 1 1 . 1 1 25 25 THR CB C 25 71.600 71.600 70.410 1.190 25195 87 1 1 . 1 1 25 25 THR H H 25 9.170 9.170 8.845 0.325 25195 88 1 1 . 1 1 26 26 ILE N N 26 122.500 122.500 123.622 -1.122 25195 89 1 1 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.845 0.425 25195 90 1 1 . 1 1 26 26 ILE C C 26 172.200 172.200 174.193 -1.993 25195 91 1 1 . 1 1 26 26 ILE CA C 26 57.700 57.700 57.805 -0.105 25195 92 1 1 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.131 2.169 25195 93 1 1 . 1 1 26 26 ILE H H 26 8.910 8.910 8.840 0.070 25195 94 1 1 . 1 1 27 27 TYR N N 27 129.400 129.400 123.483 5.917 25195 95 1 1 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.395 -0.215 25195 96 1 1 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.546 1.954 25195 97 1 1 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.315 -2.215 25195 98 1 1 . 1 1 27 27 TYR H H 27 9.090 9.090 9.079 0.011 25195 99 1 1 . 1 1 29 29 ASN CB C 29 42.700 42.700 40.964 1.736 25195 100 1 1 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.344 0.506 25195 101 1 1 . 1 1 30 30 PRO C C 30 177.000 177.000 175.710 1.290 25195 102 1 1 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.828 1.372 25195 103 1 1 . 1 1 30 30 PRO CB C 30 32.700 32.700 31.902 0.798 25195 104 1 1 . 1 1 31 31 VAL N N 31 112.100 112.100 124.080 -11.980 25195 105 1 1 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.361 -0.201 25195 106 1 1 . 1 1 31 31 VAL C C 31 175.000 175.000 175.143 -0.143 25195 107 1 1 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.152 1.848 25195 108 1 1 . 1 1 31 31 VAL CB C 31 31.500 31.500 34.466 -2.966 25195 109 1 1 . 1 1 31 31 VAL H H 31 7.290 7.290 8.243 -0.953 25195 110 1 1 . 1 1 32 32 CYS N N 32 126.100 126.100 127.617 -1.517 25195 111 1 1 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.341 0.019 25195 112 1 1 . 1 1 32 32 CYS CA C 32 59.300 59.300 60.897 -1.597 25195 113 1 1 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.859 3.341 25195 114 1 1 . 1 1 32 32 CYS H H 32 7.780 7.780 8.839 -1.059 25195 115 1 1 . 1 1 33 33 GLY C C 33 177.400 177.400 175.868 1.532 25195 116 1 1 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.901 0.799 25195 117 1 1 . 1 1 34 34 THR N N 34 123.700 123.700 119.271 4.429 25195 118 1 1 . 1 1 34 34 THR HA H 34 4.250 4.250 3.950 0.300 25195 119 1 1 . 1 1 34 34 THR C C 34 175.600 175.600 176.441 -0.841 25195 120 1 1 . 1 1 34 34 THR CA C 34 67.600 67.600 66.471 1.129 25195 121 1 1 . 1 1 34 34 THR CB C 34 68.700 68.700 68.394 0.306 25195 122 1 1 . 1 1 34 34 THR H H 34 9.110 9.110 7.920 1.190 25195 123 1 1 . 1 1 35 35 SER N N 35 123.600 123.600 117.786 5.814 25195 124 1 1 . 1 1 35 35 SER C C 35 177.900 177.900 176.544 1.356 25195 125 1 1 . 1 1 35 35 SER CA C 35 63.800 63.800 61.579 2.221 25195 126 1 1 . 1 1 35 35 SER CB C 35 63.800 63.800 62.899 0.901 25195 127 1 1 . 1 1 35 35 SER H H 35 9.530 9.530 8.220 1.310 25195 128 1 1 . 1 1 36 36 ARG N N 36 113.400 113.400 120.509 -7.109 25195 129 1 1 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.047 -0.047 25195 130 1 1 . 1 1 36 36 ARG C C 36 179.200 179.200 178.566 0.634 25195 131 1 1 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.320 1.980 25195 132 1 1 . 1 1 36 36 ARG CB C 36 31.300 31.300 30.078 1.222 25195 133 1 1 . 1 1 36 36 ARG H H 36 8.740 8.740 8.106 0.634 25195 134 1 1 . 1 1 37 37 LYS N N 37 121.900 121.900 120.639 1.261 25195 135 1 1 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.102 0.038 25195 136 1 1 . 1 1 37 37 LYS C C 37 179.400 179.400 178.865 0.535 25195 137 1 1 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.086 0.615 25195 138 1 1 . 1 1 37 37 LYS CB C 37 32.600 32.600 31.985 0.614 25195 139 1 1 . 1 1 37 37 LYS H H 37 7.980 7.980 7.981 -0.001 25195 140 1 1 . 1 1 38 38 VAL N N 38 120.900 120.900 117.152 3.748 25195 141 1 1 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.632 -0.012 25195 142 1 1 . 1 1 38 38 VAL C C 38 177.300 177.300 177.737 -0.437 25195 143 1 1 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.647 0.653 25195 144 1 1 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.469 0.431 25195 145 1 1 . 1 1 38 38 VAL H H 38 8.670 8.670 7.878 0.792 25195 146 1 1 . 1 1 39 39 LEU N N 39 120.200 120.200 120.059 0.141 25195 147 1 1 . 1 1 39 39 LEU C C 39 178.300 178.300 179.369 -1.069 25195 148 1 1 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.627 0.973 25195 149 1 1 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.341 0.259 25195 150 1 1 . 1 1 39 39 LEU H H 39 8.300 8.300 8.281 0.019 25195 151 1 1 . 1 1 40 40 GLY N N 40 103.600 103.600 108.094 -4.494 25195 152 1 1 . 1 1 40 40 GLY C C 40 176.600 176.600 176.399 0.201 25195 153 1 1 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.102 0.298 25195 154 1 1 . 1 1 40 40 GLY H H 40 8.050 8.050 8.214 -0.164 25195 155 1 1 . 1 1 41 41 MET N N 41 122.300 122.300 121.143 1.157 25195 156 1 1 . 1 1 41 41 MET HA H 41 4.030 4.030 4.206 -0.176 25195 157 1 1 . 1 1 41 41 MET C C 41 179.200 179.200 178.660 0.540 25195 158 1 1 . 1 1 41 41 MET CA C 41 59.900 59.900 57.528 2.372 25195 159 1 1 . 1 1 41 41 MET CB C 41 33.600 33.600 31.735 1.865 25195 160 1 1 . 1 1 41 41 MET H H 41 8.310 8.310 7.996 0.314 25195 161 1 1 . 1 1 42 42 ILE N N 42 120.600 120.600 119.621 0.979 25195 162 1 1 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.597 -0.057 25195 163 1 1 . 1 1 42 42 ILE C C 42 177.600 177.600 177.729 -0.129 25195 164 1 1 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.390 0.810 25195 165 1 1 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.436 1.664 25195 166 1 1 . 1 1 42 42 ILE H H 42 8.260 8.260 8.266 -0.006 25195 167 1 1 . 1 1 43 43 ARG N N 43 117.200 117.200 119.440 -2.240 25195 168 1 1 . 1 1 43 43 ARG C C 43 182.100 182.100 178.598 3.502 25195 169 1 1 . 1 1 43 43 ARG CA C 43 59.100 59.100 58.942 0.158 25195 170 1 1 . 1 1 43 43 ARG CB C 43 29.400 29.400 29.689 -0.289 25195 171 1 1 . 1 1 43 43 ARG H H 43 7.810 7.810 8.174 -0.364 25195 172 1 1 . 1 1 44 44 GLU N N 44 122.200 122.200 119.566 2.634 25195 173 1 1 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.174 -0.124 25195 174 1 1 . 1 1 44 44 GLU C C 44 177.600 177.600 178.107 -0.507 25195 175 1 1 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.525 0.575 25195 176 1 1 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.420 0.080 25195 177 1 1 . 1 1 44 44 GLU H H 44 8.670 8.670 8.057 0.613 25195 178 1 1 . 1 1 45 45 ALA N N 45 120.400 120.400 119.961 0.439 25195 179 1 1 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.163 0.257 25195 180 1 1 . 1 1 45 45 ALA C C 45 177.300 177.300 177.169 0.131 25195 181 1 1 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.849 -0.349 25195 182 1 1 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.776 -1.377 25195 183 1 1 . 1 1 45 45 ALA H H 45 7.430 7.430 7.876 -0.446 25195 184 1 1 . 1 1 46 46 GLY N N 46 106.000 106.000 104.878 1.122 25195 185 1 1 . 1 1 46 46 GLY C C 46 173.800 173.800 173.871 -0.071 25195 186 1 1 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.682 0.618 25195 187 1 1 . 1 1 46 46 GLY H H 46 8.080 8.080 7.648 0.432 25195 188 1 1 . 1 1 47 47 ILE N N 47 121.500 121.500 119.895 1.605 25195 189 1 1 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.456 -0.356 25195 190 1 1 . 1 1 47 47 ILE C C 47 174.100 174.100 174.284 -0.184 25195 191 1 1 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.442 1.258 25195 192 1 1 . 1 1 47 47 ILE CB C 47 41.100 41.100 39.762 1.338 25195 193 1 1 . 1 1 47 47 ILE H H 47 7.180 7.180 7.712 -0.532 25195 194 1 1 . 1 1 48 48 GLU N N 48 127.000 127.000 124.701 2.299 25195 195 1 1 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.702 0.498 25195 196 1 1 . 1 1 48 48 GLU CA C 48 51.300 51.300 51.928 -0.628 25195 197 1 1 . 1 1 48 48 GLU CB C 48 29.400 29.400 28.986 0.413 25195 198 1 1 . 1 1 48 48 GLU H H 48 8.440 8.440 8.572 -0.132 25195 199 1 1 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.652 -0.012 25195 200 1 1 . 1 1 49 49 PRO C C 49 175.200 175.200 176.512 -1.312 25195 201 1 1 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.160 -0.259 25195 202 1 1 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.674 0.026 25195 203 1 1 . 1 1 50 50 HIS N N 50 119.000 119.000 120.377 -1.377 25195 204 1 1 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.744 -0.044 25195 205 1 1 . 1 1 50 50 HIS C C 50 174.200 174.200 174.925 -0.725 25195 206 1 1 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.372 1.028 25195 207 1 1 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.064 -1.964 25195 208 1 1 . 1 1 50 50 HIS H H 50 9.160 9.160 8.343 0.817 25195 209 1 1 . 1 1 51 51 VAL N N 51 128.400 128.400 126.964 1.436 25195 210 1 1 . 1 1 51 51 VAL HA H 51 4.240 4.240 3.986 0.254 25195 211 1 1 . 1 1 51 51 VAL C C 51 175.600 175.600 175.096 0.504 25195 212 1 1 . 1 1 51 51 VAL CA C 51 62.200 62.200 63.414 -1.214 25195 213 1 1 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.063 1.137 25195 214 1 1 . 1 1 51 51 VAL H H 51 8.760 8.760 8.808 -0.048 25195 215 1 1 . 1 1 52 52 ILE N N 52 129.400 129.400 129.261 0.139 25195 216 1 1 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.346 -0.126 25195 217 1 1 . 1 1 52 52 ILE C C 52 176.500 176.500 174.857 1.643 25195 218 1 1 . 1 1 52 52 ILE CA C 52 60.300 60.300 59.300 1.000 25195 219 1 1 . 1 1 52 52 ILE CB C 52 38.200 38.200 38.946 -0.746 25195 220 1 1 . 1 1 52 52 ILE H H 52 9.000 9.000 8.605 0.395 25195 221 1 1 . 1 1 53 53 GLU N N 53 129.900 129.900 126.891 3.009 25195 222 1 1 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.690 0.440 25195 223 1 1 . 1 1 53 53 GLU C C 53 174.200 174.200 175.462 -1.262 25195 224 1 1 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.088 0.812 25195 225 1 1 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.844 -1.544 25195 226 1 1 . 1 1 53 53 GLU H H 53 9.180 9.180 8.647 0.533 25195 227 1 1 . 1 1 54 54 TYR N N 54 124.200 124.200 123.080 1.120 25195 228 1 1 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.871 0.329 25195 229 1 1 . 1 1 54 54 TYR C C 54 174.200 174.200 175.478 -1.278 25195 230 1 1 . 1 1 54 54 TYR CA C 54 54.100 54.100 56.222 -2.122 25195 231 1 1 . 1 1 54 54 TYR CB C 54 38.000 38.000 39.927 -1.927 25195 232 1 1 . 1 1 54 54 TYR H H 54 8.460 8.460 8.292 0.168 25195 233 1 1 . 1 1 55 55 MET N N 55 121.900 121.900 121.319 0.581 25195 234 1 1 . 1 1 55 55 MET H H 55 7.660 7.660 8.519 -0.859 25195 235 1 1 . 1 1 56 56 LYS C C 56 176.700 176.700 175.392 1.308 25195 236 1 1 . 1 1 56 56 LYS CA C 56 56.900 56.900 57.564 -0.664 25195 237 1 1 . 1 1 56 56 LYS CB C 56 29.200 29.200 32.346 -3.146 25195 238 1 1 . 1 1 57 57 THR N N 57 114.700 114.700 116.073 -1.373 25195 239 1 1 . 1 1 57 57 THR HA H 57 4.720 4.720 4.538 0.182 25195 240 1 1 . 1 1 57 57 THR CB C 57 70.500 70.500 69.531 0.969 25195 241 1 1 . 1 1 57 57 THR H H 57 7.940 7.940 8.213 -0.273 25195 242 1 1 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.553 0.147 25195 243 1 1 . 1 1 58 58 PRO C C 58 177.400 177.400 176.481 0.919 25195 244 1 1 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.930 -0.130 25195 245 1 1 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.234 0.366 25195 246 1 1 . 1 1 59 59 LEU N N 59 125.300 125.300 126.347 -1.047 25195 247 1 1 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.746 -0.166 25195 248 1 1 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.613 0.687 25195 249 1 1 . 1 1 59 59 LEU H H 59 8.760 8.760 8.335 0.425 25195 250 1 1 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.619 -0.109 25195 251 1 1 . 1 1 60 60 PRO C C 60 178.400 178.400 177.329 1.071 25195 252 1 1 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.180 -0.080 25195 253 1 1 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.595 -0.295 25195 254 1 1 . 1 1 61 61 ARG N N 61 125.800 125.800 121.898 3.902 25195 255 1 1 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.898 -0.198 25195 256 1 1 . 1 1 61 61 ARG C C 61 177.800 177.800 177.879 -0.079 25195 257 1 1 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.758 1.042 25195 258 1 1 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.388 1.012 25195 259 1 1 . 1 1 61 61 ARG H H 61 8.980 8.980 8.749 0.231 25195 260 1 1 . 1 1 62 62 ASP N N 62 113.300 113.300 118.834 -5.534 25195 261 1 1 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.388 -0.148 25195 262 1 1 . 1 1 62 62 ASP C C 62 179.100 179.100 178.562 0.538 25195 263 1 1 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.347 -0.347 25195 264 1 1 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.459 -0.758 25195 265 1 1 . 1 1 62 62 ASP H H 62 8.820 8.820 8.675 0.145 25195 266 1 1 . 1 1 63 63 MET N N 63 118.800 118.800 118.068 0.732 25195 267 1 1 . 1 1 63 63 MET HA H 63 4.460 4.460 4.221 0.239 25195 268 1 1 . 1 1 63 63 MET C C 63 177.700 177.700 178.582 -0.882 25195 269 1 1 . 1 1 63 63 MET CA C 63 57.200 57.200 57.741 -0.541 25195 270 1 1 . 1 1 63 63 MET CB C 63 32.500 32.500 32.116 0.384 25195 271 1 1 . 1 1 63 63 MET H H 63 7.340 7.340 7.391 -0.051 25195 272 1 1 . 1 1 64 64 LEU N N 64 121.000 121.000 122.406 -1.406 25195 273 1 1 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.023 -0.063 25195 274 1 1 . 1 1 64 64 LEU C C 64 178.000 178.000 178.202 -0.202 25195 275 1 1 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.104 0.196 25195 276 1 1 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.592 -0.192 25195 277 1 1 . 1 1 64 64 LEU H H 64 7.570 7.570 8.256 -0.686 25195 278 1 1 . 1 1 65 65 VAL N N 65 117.200 117.200 119.587 -2.387 25195 279 1 1 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.553 -0.123 25195 280 1 1 . 1 1 65 65 VAL C C 65 178.500 178.500 177.505 0.995 25195 281 1 1 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.632 0.968 25195 282 1 1 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.767 0.233 25195 283 1 1 . 1 1 65 65 VAL H H 65 8.250 8.250 8.713 -0.463 25195 284 1 1 . 1 1 66 66 GLU N N 66 120.200 120.200 120.348 -0.148 25195 285 1 1 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.073 0.267 25195 286 1 1 . 1 1 66 66 GLU C C 66 178.500 178.500 179.028 -0.528 25195 287 1 1 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.591 -0.891 25195 288 1 1 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.613 -0.412 25195 289 1 1 . 1 1 66 66 GLU H H 66 7.510 7.510 7.985 -0.475 25195 290 1 1 . 1 1 67 67 LEU N N 67 121.100 121.100 119.413 1.687 25195 291 1 1 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.086 -0.096 25195 292 1 1 . 1 1 67 67 LEU C C 67 179.400 179.400 179.014 0.386 25195 293 1 1 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.753 0.647 25195 294 1 1 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.260 -0.460 25195 295 1 1 . 1 1 67 67 LEU H H 67 8.480 8.480 7.917 0.563 25195 296 1 1 . 1 1 68 68 LEU N N 68 118.500 118.500 118.263 0.237 25195 297 1 1 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.272 -0.492 25195 298 1 1 . 1 1 68 68 LEU C C 68 179.100 179.100 178.239 0.861 25195 299 1 1 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.666 1.034 25195 300 1 1 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.642 -0.242 25195 301 1 1 . 1 1 68 68 LEU H H 68 8.250 8.250 8.401 -0.151 25195 302 1 1 . 1 1 69 69 ARG N N 69 119.200 119.200 118.291 0.909 25195 303 1 1 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.288 -0.238 25195 304 1 1 . 1 1 69 69 ARG C C 69 180.400 180.400 178.159 2.241 25195 305 1 1 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.281 1.219 25195 306 1 1 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.019 0.081 25195 307 1 1 . 1 1 69 69 ARG H H 69 7.950 7.950 8.242 -0.292 25195 308 1 1 . 1 1 70 70 GLN N N 70 118.500 118.500 117.217 1.283 25195 309 1 1 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.179 -0.149 25195 310 1 1 . 1 1 70 70 GLN C C 70 179.900 179.900 178.022 1.878 25195 311 1 1 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.663 1.237 25195 312 1 1 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.489 0.911 25195 313 1 1 . 1 1 70 70 GLN H H 70 8.450 8.450 7.853 0.597 25195 314 1 1 . 1 1 71 71 MET N N 71 117.500 117.500 119.113 -1.613 25195 315 1 1 . 1 1 71 71 MET HA H 71 4.140 4.140 4.114 0.026 25195 316 1 1 . 1 1 71 71 MET C C 71 175.200 175.200 177.043 -1.843 25195 317 1 1 . 1 1 71 71 MET CA C 71 58.200 58.200 58.010 0.190 25195 318 1 1 . 1 1 71 71 MET CB C 71 36.200 36.200 33.088 3.112 25195 319 1 1 . 1 1 71 71 MET H H 71 8.380 8.380 7.892 0.488 25195 320 1 1 . 1 1 72 72 ALA N N 72 120.400 120.400 117.527 2.873 25195 321 1 1 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.459 -0.429 25195 322 1 1 . 1 1 72 72 ALA C C 72 176.600 176.600 176.896 -0.296 25195 323 1 1 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.257 0.543 25195 324 1 1 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.289 -4.789 25195 325 1 1 . 1 1 72 72 ALA H H 72 8.100 8.100 7.617 0.483 25195 326 1 1 . 1 1 73 73 ILE N N 73 108.600 108.600 115.316 -6.716 25195 327 1 1 . 1 1 73 73 ILE C C 73 174.700 174.700 174.552 0.148 25195 328 1 1 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.707 0.193 25195 329 1 1 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.208 2.392 25195 330 1 1 . 1 1 73 73 ILE H H 73 7.240 7.240 7.892 -0.652 25195 331 1 1 . 1 1 74 74 SER N N 74 116.500 116.500 117.809 -1.309 25195 332 1 1 . 1 1 74 74 SER HA H 74 4.780 4.780 4.525 0.255 25195 333 1 1 . 1 1 74 74 SER CA C 74 55.900 55.900 59.199 -3.299 25195 334 1 1 . 1 1 74 74 SER CB C 74 63.500 63.500 63.191 0.309 25195 335 1 1 . 1 1 74 74 SER H H 74 8.290 8.290 8.591 -0.301 25195 336 1 1 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.353 0.407 25195 337 1 1 . 1 1 75 75 PRO C C 75 178.200 178.200 177.842 0.358 25195 338 1 1 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.309 1.291 25195 339 1 1 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.867 0.233 25195 340 1 1 . 1 1 76 76 ARG N N 76 114.400 114.400 117.802 -3.402 25195 341 1 1 . 1 1 76 76 ARG C C 76 178.100 178.100 175.696 2.404 25195 342 1 1 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.602 1.398 25195 343 1 1 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.434 -0.034 25195 344 1 1 . 1 1 76 76 ARG H H 76 8.340 8.340 8.439 -0.099 25195 345 1 1 . 1 1 77 77 ALA N N 77 119.400 119.400 120.396 -0.996 25195 346 1 1 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.571 -0.341 25195 347 1 1 . 1 1 77 77 ALA C C 77 178.100 178.100 176.585 1.515 25195 348 1 1 . 1 1 77 77 ALA CA C 77 53.800 53.800 50.989 2.811 25195 349 1 1 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.563 0.037 25195 350 1 1 . 1 1 77 77 ALA H H 77 7.720 7.720 7.552 0.168 25195 351 1 1 . 1 1 78 78 LEU N N 78 119.400 119.400 120.249 -0.849 25195 352 1 1 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.421 -0.041 25195 353 1 1 . 1 1 78 78 LEU C C 78 174.800 174.800 176.252 -1.452 25195 354 1 1 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.587 -2.688 25195 355 1 1 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.891 0.209 25195 356 1 1 . 1 1 78 78 LEU H H 78 7.610 7.610 7.487 0.123 25195 357 1 1 . 1 1 79 79 LEU N N 79 118.700 118.700 121.366 -2.666 25195 358 1 1 . 1 1 79 79 LEU HA H 79 4.650 4.650 4.048 0.602 25195 359 1 1 . 1 1 79 79 LEU C C 79 178.900 178.900 176.942 1.958 25195 360 1 1 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.979 0.121 25195 361 1 1 . 1 1 79 79 LEU CB C 79 44.600 44.600 38.971 5.629 25195 362 1 1 . 1 1 79 79 LEU H H 79 7.220 7.220 7.743 -0.523 25195 363 1 1 . 1 1 80 80 ARG N N 80 124.000 124.000 125.424 -1.424 25195 364 1 1 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.081 0.139 25195 365 1 1 . 1 1 80 80 ARG C C 80 174.800 174.800 177.000 -2.200 25195 366 1 1 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.988 -0.788 25195 367 1 1 . 1 1 80 80 ARG CB C 80 30.700 30.700 31.338 -0.638 25195 368 1 1 . 1 1 80 80 ARG H H 80 8.780 8.780 7.897 0.883 25195 369 1 1 . 1 1 81 81 ALA N N 81 124.400 124.400 123.544 0.856 25195 370 1 1 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.242 -1.752 25195 371 1 1 . 1 1 81 81 ALA C C 81 177.600 177.600 178.635 -1.035 25195 372 1 1 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.811 -2.111 25195 373 1 1 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.984 -0.384 25195 374 1 1 . 1 1 81 81 ALA H H 81 7.420 7.420 8.423 -1.003 25195 375 1 1 . 1 1 82 82 LYS N N 82 114.500 114.500 118.022 -3.522 25195 376 1 1 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.022 0.228 25195 377 1 1 . 1 1 82 82 LYS C C 82 177.700 177.700 178.204 -0.504 25195 378 1 1 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.082 -2.282 25195 379 1 1 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.120 -0.720 25195 380 1 1 . 1 1 82 82 LYS H H 82 8.190 8.190 8.531 -0.341 25195 381 1 1 . 1 1 83 83 GLU N N 83 118.700 118.700 119.932 -1.232 25195 382 1 1 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.336 -0.136 25195 383 1 1 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.413 0.387 25195 384 1 1 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.739 1.561 25195 385 1 1 . 1 1 83 83 GLU H H 83 7.120 7.120 7.923 -0.803 25195 386 1 1 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.891 0.319 25195 387 1 1 . 1 1 84 84 ALA C C 84 180.900 180.900 179.251 1.649 25195 388 1 1 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.725 -0.025 25195 389 1 1 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.849 -1.049 25195 390 1 1 . 1 1 85 85 ARG N N 85 115.800 115.800 118.425 -2.625 25195 391 1 1 . 1 1 85 85 ARG HA H 85 4.060 4.060 4.140 -0.080 25195 392 1 1 . 1 1 85 85 ARG C C 85 178.200 178.200 178.396 -0.196 25195 393 1 1 . 1 1 85 85 ARG CA C 85 56.900 56.900 59.189 -2.289 25195 394 1 1 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.469 0.431 25195 395 1 1 . 1 1 85 85 ARG H H 85 9.280 9.280 8.242 1.038 25195 396 1 1 . 1 1 86 86 TYR N N 86 118.300 118.300 120.204 -1.904 25195 397 1 1 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.052 -0.212 25195 398 1 1 . 1 1 86 86 TYR C C 86 176.500 176.500 176.750 -0.250 25195 399 1 1 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.988 -0.788 25195 400 1 1 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.838 0.362 25195 401 1 1 . 1 1 86 86 TYR H H 86 7.270 7.270 8.685 -1.415 25195 402 1 1 . 1 1 87 87 ALA N N 87 120.500 120.500 119.462 1.038 25195 403 1 1 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.409 0.931 25195 404 1 1 . 1 1 87 87 ALA C C 87 181.900 181.900 179.999 1.901 25195 405 1 1 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.096 0.304 25195 406 1 1 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.971 0.429 25195 407 1 1 . 1 1 87 87 ALA H H 87 7.110 7.110 7.864 -0.754 25195 408 1 1 . 1 1 88 88 GLU N N 88 119.500 119.500 120.383 -0.883 25195 409 1 1 . 1 1 88 88 GLU HA H 88 3.980 3.980 3.993 -0.013 25195 410 1 1 . 1 1 88 88 GLU C C 88 178.800 178.800 178.443 0.357 25195 411 1 1 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.773 0.527 25195 412 1 1 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.697 0.803 25195 413 1 1 . 1 1 88 88 GLU H H 88 8.240 8.240 8.163 0.077 25195 414 1 1 . 1 1 89 89 LEU N N 89 115.100 115.100 117.486 -2.386 25195 415 1 1 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.215 0.065 25195 416 1 1 . 1 1 89 89 LEU C C 89 176.900 176.900 177.365 -0.465 25195 417 1 1 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.499 -0.999 25195 418 1 1 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.310 0.490 25195 419 1 1 . 1 1 89 89 LEU H H 89 7.430 7.430 7.935 -0.505 25195 420 1 1 . 1 1 90 90 GLY N N 90 108.200 108.200 106.136 2.064 25195 421 1 1 . 1 1 90 90 GLY C C 90 176.900 176.900 175.849 1.051 25195 422 1 1 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.584 1.416 25195 423 1 1 . 1 1 90 90 GLY H H 90 7.690 7.690 7.554 0.136 25195 424 1 1 . 1 1 91 91 LEU N N 91 113.000 113.000 119.870 -6.870 25195 425 1 1 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.062 -0.292 25195 426 1 1 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.281 -1.581 25195 427 1 1 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.035 -1.736 25195 428 1 1 . 1 1 91 91 LEU H H 91 7.000 7.000 7.372 -0.372 25195 429 1 1 . 1 1 92 92 ASP N N 92 117.000 117.000 115.500 1.500 25195 430 1 1 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.514 -0.074 25195 431 1 1 . 1 1 92 92 ASP C C 92 175.400 175.400 175.928 -0.528 25195 432 1 1 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.213 -0.413 25195 433 1 1 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.795 -0.095 25195 434 1 1 . 1 1 92 92 ASP H H 92 8.510 8.510 7.907 0.603 25195 435 1 1 . 1 1 93 93 ASP N N 93 120.600 120.600 119.988 0.612 25195 436 1 1 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.583 -0.003 25195 437 1 1 . 1 1 93 93 ASP C C 93 176.000 176.000 176.135 -0.135 25195 438 1 1 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.962 -1.862 25195 439 1 1 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.895 0.605 25195 440 1 1 . 1 1 93 93 ASP H H 93 7.000 7.000 7.563 -0.563 25195 441 1 1 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.314 -0.014 25195 442 1 1 . 1 1 94 94 PRO C C 94 178.100 178.100 176.475 1.625 25195 443 1 1 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.535 0.265 25195 444 1 1 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.089 0.111 25195 445 1 1 . 1 1 95 95 ALA N N 95 121.900 121.900 120.693 1.207 25195 446 1 1 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.425 -0.155 25195 447 1 1 . 1 1 95 95 ALA C C 95 178.400 178.400 176.487 1.913 25195 448 1 1 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.056 0.445 25195 449 1 1 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.309 0.891 25195 450 1 1 . 1 1 95 95 ALA H H 95 8.610 8.610 8.076 0.534 25195 451 1 1 . 1 1 96 96 LEU N N 96 117.600 117.600 120.007 -2.407 25195 452 1 1 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.850 -0.680 25195 453 1 1 . 1 1 96 96 LEU C C 96 177.600 177.600 176.182 1.418 25195 454 1 1 . 1 1 96 96 LEU CA C 96 55.500 55.500 53.951 1.549 25195 455 1 1 . 1 1 96 96 LEU CB C 96 42.400 42.400 44.666 -2.266 25195 456 1 1 . 1 1 96 96 LEU H H 96 7.010 7.010 7.719 -0.709 25195 457 1 1 . 1 1 97 97 SER N N 97 119.200 119.200 113.904 5.296 25195 458 1 1 . 1 1 97 97 SER HA H 97 4.360 4.360 4.810 -0.450 25195 459 1 1 . 1 1 97 97 SER C C 97 174.400 174.400 174.245 0.155 25195 460 1 1 . 1 1 97 97 SER CA C 97 57.300 57.300 57.363 -0.063 25195 461 1 1 . 1 1 97 97 SER CB C 97 64.900 64.900 65.897 -0.997 25195 462 1 1 . 1 1 97 97 SER H H 97 8.620 8.620 8.076 0.544 25195 463 1 1 . 1 1 98 98 ASP N N 98 122.000 122.000 123.460 -1.460 25195 464 1 1 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.368 -0.098 25195 465 1 1 . 1 1 98 98 ASP C C 98 178.100 178.100 178.424 -0.324 25195 466 1 1 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.063 0.737 25195 467 1 1 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.779 -0.679 25195 468 1 1 . 1 1 98 98 ASP H H 98 9.050 9.050 8.776 0.274 25195 469 1 1 . 1 1 99 99 GLU N N 99 116.100 116.100 119.930 -3.830 25195 470 1 1 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.050 -0.260 25195 471 1 1 . 1 1 99 99 GLU C C 99 176.800 176.800 178.749 -1.949 25195 472 1 1 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.765 0.135 25195 473 1 1 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.555 -0.355 25195 474 1 1 . 1 1 99 99 GLU H H 99 8.250 8.250 8.573 -0.323 25195 475 1 1 . 1 1 100 100 VAL N N 100 118.000 118.000 118.149 -0.149 25195 476 1 1 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.856 -0.046 25195 477 1 1 . 1 1 100 100 VAL C C 100 179.200 179.200 178.074 1.126 25195 478 1 1 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.268 0.332 25195 479 1 1 . 1 1 100 100 VAL CB C 100 31.400 31.400 30.763 0.637 25195 480 1 1 . 1 1 100 100 VAL H H 100 7.290 7.290 7.524 -0.234 25195 481 1 1 . 1 1 101 101 LEU N N 101 120.100 120.100 120.740 -0.640 25195 482 1 1 . 1 1 101 101 LEU HA H 101 3.950 3.950 3.996 -0.046 25195 483 1 1 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.205 -0.105 25195 484 1 1 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.747 0.753 25195 485 1 1 . 1 1 101 101 LEU H H 101 7.610 7.610 7.904 -0.294 25195 486 1 1 . 1 1 102 102 ILE N N 102 118.900 118.900 120.033 -1.133 25195 487 1 1 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.543 -0.123 25195 488 1 1 . 1 1 102 102 ILE C C 102 177.700 177.700 177.630 0.070 25195 489 1 1 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.411 -0.011 25195 490 1 1 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.597 0.903 25195 491 1 1 . 1 1 102 102 ILE H H 102 8.260 8.260 8.624 -0.364 25195 492 1 1 . 1 1 103 103 ASP N N 103 118.000 118.000 119.999 -1.999 25195 493 1 1 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.254 0.066 25195 494 1 1 . 1 1 103 103 ASP C C 103 179.400 179.400 178.315 1.085 25195 495 1 1 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.315 0.485 25195 496 1 1 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.668 -0.568 25195 497 1 1 . 1 1 103 103 ASP H H 103 8.080 8.080 8.051 0.029 25195 498 1 1 . 1 1 104 104 ALA N N 104 121.500 121.500 121.792 -0.292 25195 499 1 1 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.063 0.007 25195 500 1 1 . 1 1 104 104 ALA C C 104 179.900 179.900 179.351 0.549 25195 501 1 1 . 1 1 104 104 ALA CA C 104 55.400 55.400 55.009 0.391 25195 502 1 1 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.694 -0.994 25195 503 1 1 . 1 1 104 104 ALA H H 104 8.210 8.210 7.949 0.261 25195 504 1 1 . 1 1 105 105 MET N N 105 115.800 115.800 118.975 -3.175 25195 505 1 1 . 1 1 105 105 MET HA H 105 3.940 3.940 4.063 -0.123 25195 506 1 1 . 1 1 105 105 MET C C 105 176.700 176.700 178.004 -1.304 25195 507 1 1 . 1 1 105 105 MET CA C 105 59.500 59.500 59.220 0.280 25195 508 1 1 . 1 1 105 105 MET CB C 105 35.400 35.400 33.063 2.337 25195 509 1 1 . 1 1 105 105 MET H H 105 7.520 7.520 7.738 -0.218 25195 510 1 1 . 1 1 106 106 ILE N N 106 118.100 118.100 115.802 2.298 25195 511 1 1 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.893 0.127 25195 512 1 1 . 1 1 106 106 ILE C C 106 178.200 178.200 177.396 0.804 25195 513 1 1 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.131 -1.131 25195 514 1 1 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.781 -0.081 25195 515 1 1 . 1 1 106 106 ILE H H 106 7.730 7.730 8.490 -0.760 25195 516 1 1 . 1 1 107 107 SER N N 107 112.400 112.400 113.731 -1.331 25195 517 1 1 . 1 1 107 107 SER HA H 107 4.340 4.340 4.414 -0.074 25195 518 1 1 . 1 1 107 107 SER C C 107 174.800 174.800 174.833 -0.033 25195 519 1 1 . 1 1 107 107 SER CA C 107 60.400 60.400 59.146 1.254 25195 520 1 1 . 1 1 107 107 SER CB C 107 64.000 64.000 64.132 -0.133 25195 521 1 1 . 1 1 107 107 SER H H 107 8.160 8.160 7.427 0.733 25195 522 1 1 . 1 1 108 108 ASN N N 108 116.400 116.400 120.699 -4.299 25195 523 1 1 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.989 0.301 25195 524 1 1 . 1 1 108 108 ASN CA C 108 51.100 51.100 51.904 -0.804 25195 525 1 1 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.600 1.600 25195 526 1 1 . 1 1 108 108 ASN H H 108 7.700 7.700 7.689 0.011 25195 527 1 1 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.328 0.442 25195 528 1 1 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.763 1.037 25195 529 1 1 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.897 0.303 25195 530 1 1 . 1 1 110 110 VAL N N 110 119.100 119.100 117.856 1.244 25195 531 1 1 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.852 0.198 25195 532 1 1 . 1 1 110 110 VAL C C 110 175.200 175.200 176.214 -1.014 25195 533 1 1 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.906 0.694 25195 534 1 1 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.145 0.056 25195 535 1 1 . 1 1 110 110 VAL H H 110 8.280 8.280 8.002 0.278 25195 536 1 1 . 1 1 111 111 LEU N N 111 115.200 115.200 112.411 2.789 25195 537 1 1 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.141 0.259 25195 538 1 1 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.126 2.074 25195 539 1 1 . 1 1 111 111 LEU H H 111 8.420 8.420 7.257 1.163 25195 540 1 1 . 1 1 112 112 MET N N 112 118.900 118.900 117.337 1.563 25195 541 1 1 . 1 1 112 112 MET HA H 112 4.060 4.060 4.225 -0.165 25195 542 1 1 . 1 1 112 112 MET CA C 112 56.500 56.500 56.787 -0.287 25195 543 1 1 . 1 1 112 112 MET CB C 112 35.600 35.600 31.495 4.105 25195 544 1 1 . 1 1 112 112 MET H H 112 7.940 7.940 7.670 0.270 25195 545 1 1 . 1 1 113 113 ASN N N 113 125.800 125.800 121.771 4.029 25195 546 1 1 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.795 -0.155 25195 547 1 1 . 1 1 113 113 ASN C C 113 170.700 170.700 176.601 -5.901 25195 548 1 1 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.547 -1.347 25195 549 1 1 . 1 1 113 113 ASN CB C 113 36.900 36.900 39.058 -2.158 25195 550 1 1 . 1 1 113 113 ASN H H 113 9.140 9.140 8.453 0.687 25195 551 1 1 . 1 1 114 114 ARG N N 114 113.200 113.200 120.120 -6.920 25195 552 1 1 . 1 1 114 114 ARG CA C 114 53.800 53.800 59.538 -5.737 25195 553 1 1 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.558 1.242 25195 554 1 1 . 1 1 114 114 ARG H H 114 7.970 7.970 8.234 -0.264 25195 555 1 1 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.867 -0.047 25195 556 1 1 . 1 1 115 115 PRO C C 115 175.400 175.400 176.021 -0.621 25195 557 1 1 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.644 -0.044 25195 558 1 1 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.465 1.935 25195 559 1 1 . 1 1 116 116 VAL N N 116 124.500 124.500 127.481 -2.981 25195 560 1 1 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.401 0.679 25195 561 1 1 . 1 1 116 116 VAL C C 116 174.500 174.500 174.348 0.152 25195 562 1 1 . 1 1 116 116 VAL CA C 116 62.500 62.500 60.992 1.508 25195 563 1 1 . 1 1 116 116 VAL CB C 116 33.000 33.000 34.893 -1.893 25195 564 1 1 . 1 1 116 116 VAL H H 116 7.840 7.840 8.907 -1.067 25195 565 1 1 . 1 1 117 117 VAL N N 117 128.000 128.000 128.616 -0.616 25195 566 1 1 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.536 0.244 25195 567 1 1 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.088 0.912 25195 568 1 1 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.618 0.182 25195 569 1 1 . 1 1 117 117 VAL H H 117 8.670 8.670 9.268 -0.598 25195 570 1 1 . 1 1 118 118 VAL N N 118 125.700 125.700 129.875 -4.175 25195 571 1 1 . 1 1 118 118 VAL C C 118 175.700 175.700 174.653 1.047 25195 572 1 1 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.951 0.249 25195 573 1 1 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.747 2.253 25195 574 1 1 . 1 1 118 118 VAL H H 118 9.110 9.110 9.238 -0.128 25195 575 1 1 . 1 1 119 119 THR N N 119 118.500 118.500 118.392 0.108 25195 576 1 1 . 1 1 119 119 THR HA H 119 5.490 5.490 5.096 0.394 25195 577 1 1 . 1 1 119 119 THR CA C 119 58.800 58.800 58.004 0.796 25195 578 1 1 . 1 1 119 119 THR CB C 119 69.800 69.800 70.679 -0.879 25195 579 1 1 . 1 1 119 119 THR H H 119 9.370 9.370 8.834 0.536 25195 580 1 1 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.559 -0.079 25195 581 1 1 . 1 1 120 120 PRO C C 120 177.800 177.800 177.055 0.745 25195 582 1 1 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.491 0.609 25195 583 1 1 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.543 0.757 25195 584 1 1 . 1 1 121 121 LYS N N 121 113.600 113.600 118.008 -4.408 25195 585 1 1 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.477 -0.217 25195 586 1 1 . 1 1 121 121 LYS C C 121 176.400 176.400 175.684 0.716 25195 587 1 1 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.425 1.775 25195 588 1 1 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.978 -0.178 25195 589 1 1 . 1 1 121 121 LYS H H 121 8.360 8.360 7.995 0.365 25195 590 1 1 . 1 1 122 122 GLY N N 122 108.400 108.400 107.068 1.332 25195 591 1 1 . 1 1 122 122 GLY C C 122 169.500 169.500 171.406 -1.906 25195 592 1 1 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.922 0.178 25195 593 1 1 . 1 1 122 122 GLY H H 122 7.900 7.900 7.473 0.427 25195 594 1 1 . 1 1 123 123 VAL N N 123 117.100 117.100 120.638 -3.538 25195 595 1 1 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.073 0.387 25195 596 1 1 . 1 1 123 123 VAL C C 123 176.100 176.100 174.810 1.290 25195 597 1 1 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.117 -0.117 25195 598 1 1 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.634 0.166 25195 599 1 1 . 1 1 123 123 VAL H H 123 8.080 8.080 8.418 -0.338 25195 600 1 1 . 1 1 124 124 ARG N N 124 122.300 122.300 125.747 -3.447 25195 601 1 1 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.546 0.114 25195 602 1 1 . 1 1 124 124 ARG C C 124 174.800 174.800 174.223 0.577 25195 603 1 1 . 1 1 124 124 ARG CA C 124 54.400 54.400 53.991 0.409 25195 604 1 1 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.198 1.702 25195 605 1 1 . 1 1 124 124 ARG H H 124 8.510 8.510 8.861 -0.351 25195 606 1 1 . 1 1 125 125 LEU N N 125 125.500 125.500 121.792 3.708 25195 607 1 1 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.273 0.327 25195 608 1 1 . 1 1 125 125 LEU C C 125 176.500 176.500 177.894 -1.394 25195 609 1 1 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.181 -1.480 25195 610 1 1 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.744 -1.844 25195 611 1 1 . 1 1 125 125 LEU H H 125 8.860 8.860 8.594 0.266 25195 612 1 1 . 1 1 126 126 CYS N N 126 129.700 129.700 123.971 5.729 25195 613 1 1 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.233 0.257 25195 614 1 1 . 1 1 126 126 CYS C C 126 172.000 172.000 174.394 -2.394 25195 615 1 1 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.357 0.543 25195 616 1 1 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.627 -0.327 25195 617 1 1 . 1 1 126 126 CYS H H 126 8.540 8.540 8.789 -0.249 25195 618 1 1 . 1 1 127 127 ARG N N 127 117.500 117.500 118.371 -0.871 25195 619 1 1 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.749 -0.559 25195 620 1 1 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.275 -0.075 25195 621 1 1 . 1 1 127 127 ARG CB C 127 33.400 33.400 32.383 1.017 25195 622 1 1 . 1 1 127 127 ARG H H 127 6.930 6.930 7.249 -0.319 25195 623 1 1 . 1 1 128 128 PRO C C 128 177.100 177.100 177.001 0.099 25195 624 1 1 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.486 0.715 25195 625 1 1 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.594 2.706 25195 626 1 1 . 1 1 129 129 ALA N N 129 124.000 124.000 120.700 3.300 25195 627 1 1 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.020 -0.170 25195 628 1 1 . 1 1 129 129 ALA C C 129 177.700 177.700 180.113 -2.413 25195 629 1 1 . 1 1 129 129 ALA CA C 129 55.200 55.200 55.237 -0.037 25195 630 1 1 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.472 1.428 25195 631 1 1 . 1 1 129 129 ALA H H 129 9.320 9.320 8.551 0.769 25195 632 1 1 . 1 1 130 130 GLU N N 130 111.600 111.600 117.792 -6.192 25195 633 1 1 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.000 -0.160 25195 634 1 1 . 1 1 130 130 GLU C C 130 178.200 178.200 178.635 -0.435 25195 635 1 1 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.812 0.688 25195 636 1 1 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.292 -1.192 25195 637 1 1 . 1 1 130 130 GLU H H 130 9.490 9.490 8.751 0.739 25195 638 1 1 . 1 1 131 131 THR N N 131 116.100 116.100 114.998 1.102 25195 639 1 1 . 1 1 131 131 THR HA H 131 4.040 4.040 4.003 0.037 25195 640 1 1 . 1 1 131 131 THR C C 131 175.800 175.800 176.567 -0.767 25195 641 1 1 . 1 1 131 131 THR CA C 131 65.600 65.600 65.594 0.006 25195 642 1 1 . 1 1 131 131 THR CB C 131 69.800 69.800 68.124 1.676 25195 643 1 1 . 1 1 131 131 THR H H 131 7.940 7.940 7.604 0.336 25195 644 1 1 . 1 1 132 132 VAL N N 132 119.200 119.200 121.974 -2.774 25195 645 1 1 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.696 0.184 25195 646 1 1 . 1 1 132 132 VAL C C 132 176.500 176.500 177.529 -1.029 25195 647 1 1 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.818 -1.718 25195 648 1 1 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.068 1.332 25195 649 1 1 . 1 1 132 132 VAL H H 132 8.130 8.130 7.683 0.447 25195 650 1 1 . 1 1 133 133 GLN N N 133 118.500 118.500 119.050 -0.550 25195 651 1 1 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.037 -0.187 25195 652 1 1 . 1 1 133 133 GLN C C 133 178.500 178.500 178.034 0.466 25195 653 1 1 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.874 -0.074 25195 654 1 1 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.627 -0.627 25195 655 1 1 . 1 1 133 133 GLN H H 133 7.690 7.690 7.864 -0.174 25195 656 1 1 . 1 1 134 134 GLU N N 134 115.200 115.200 119.184 -3.984 25195 657 1 1 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.197 -0.057 25195 658 1 1 . 1 1 134 134 GLU C C 134 177.000 177.000 178.254 -1.254 25195 659 1 1 . 1 1 134 134 GLU CA C 134 57.800 57.800 58.190 -0.390 25195 660 1 1 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.895 0.005 25195 661 1 1 . 1 1 134 134 GLU H H 134 7.620 7.620 7.803 -0.183 25195 662 1 1 . 1 1 135 135 LEU N N 135 115.600 115.600 119.594 -3.994 25195 663 1 1 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.189 0.031 25195 664 1 1 . 1 1 135 135 LEU C C 135 176.100 176.100 176.748 -0.648 25195 665 1 1 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.442 -2.642 25195 666 1 1 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.595 0.705 25195 667 1 1 . 1 1 135 135 LEU H H 135 7.740 7.740 7.806 -0.066 25195 668 1 2 . 1 1 9 9 MET C C 9 176.700 176.700 177.486 -0.786 25195 669 1 2 . 1 1 9 9 MET CA C 9 55.600 55.600 56.200 -0.600 25195 670 1 2 . 1 1 9 9 MET CB C 9 32.700 32.700 33.437 -0.737 25195 671 1 2 . 1 1 10 10 GLY N N 10 109.800 109.800 109.796 0.004 25195 672 1 2 . 1 1 10 10 GLY C C 10 174.400 174.400 173.783 0.617 25195 673 1 2 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.823 0.477 25195 674 1 2 . 1 1 10 10 GLY H H 10 8.480 8.480 8.598 -0.118 25195 675 1 2 . 1 1 11 11 THR N N 11 113.500 113.500 114.836 -1.336 25195 676 1 2 . 1 1 11 11 THR HA H 11 4.330 4.330 4.446 -0.116 25195 677 1 2 . 1 1 11 11 THR CA C 11 62.100 62.100 61.746 0.354 25195 678 1 2 . 1 1 11 11 THR CB C 11 69.900 69.900 69.514 0.386 25195 679 1 2 . 1 1 11 11 THR H H 11 8.080 8.080 7.851 0.229 25195 680 1 2 . 1 1 12 12 LEU N N 12 123.900 123.900 129.708 -5.808 25195 681 1 2 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.569 -0.260 25195 682 1 2 . 1 1 12 12 LEU C C 12 177.700 177.700 175.861 1.839 25195 683 1 2 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.129 1.671 25195 684 1 2 . 1 1 12 12 LEU CB C 12 42.200 42.200 41.925 0.275 25195 685 1 2 . 1 1 12 12 LEU H H 12 8.390 8.390 8.878 -0.488 25195 686 1 2 . 1 1 13 13 GLU N N 13 121.300 121.300 123.496 -2.196 25195 687 1 2 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.405 -0.205 25195 688 1 2 . 1 1 13 13 GLU C C 13 176.500 176.500 175.433 1.067 25195 689 1 2 . 1 1 13 13 GLU CA C 13 57.100 57.100 56.103 0.997 25195 690 1 2 . 1 1 13 13 GLU CB C 13 29.900 29.900 28.476 1.424 25195 691 1 2 . 1 1 13 13 GLU H H 13 8.430 8.430 8.242 0.188 25195 692 1 2 . 1 1 14 14 ALA N N 14 124.100 124.100 126.383 -2.283 25195 693 1 2 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.634 -0.364 25195 694 1 2 . 1 1 14 14 ALA C C 14 177.900 177.900 176.267 1.633 25195 695 1 2 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.829 0.971 25195 696 1 2 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.565 -1.365 25195 697 1 2 . 1 1 14 14 ALA H H 14 8.270 8.270 7.975 0.295 25195 698 1 2 . 1 1 15 15 GLN N N 15 118.900 118.900 123.701 -4.801 25195 699 1 2 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.524 -0.284 25195 700 1 2 . 1 1 15 15 GLN C C 15 176.500 176.500 175.460 1.040 25195 701 1 2 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.268 0.532 25195 702 1 2 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.667 -0.267 25195 703 1 2 . 1 1 15 15 GLN H H 15 8.360 8.360 8.534 -0.174 25195 704 1 2 . 1 1 16 16 THR N N 16 114.900 114.900 121.568 -6.668 25195 705 1 2 . 1 1 16 16 THR HA H 16 4.360 4.360 4.255 0.105 25195 706 1 2 . 1 1 16 16 THR C C 16 174.600 174.600 174.312 0.288 25195 707 1 2 . 1 1 16 16 THR CA C 16 61.900 61.900 63.123 -1.223 25195 708 1 2 . 1 1 16 16 THR CB C 16 69.800 69.800 69.360 0.440 25195 709 1 2 . 1 1 16 16 THR H H 16 8.190 8.190 8.476 -0.286 25195 710 1 2 . 1 1 17 17 GLN N N 17 122.100 122.100 125.996 -3.896 25195 711 1 2 . 1 1 17 17 GLN C C 17 176.100 176.100 175.319 0.781 25195 712 1 2 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.118 -0.418 25195 713 1 2 . 1 1 17 17 GLN CB C 17 29.700 29.700 30.214 -0.514 25195 714 1 2 . 1 1 17 17 GLN H H 17 8.440 8.440 8.643 -0.203 25195 715 1 2 . 1 1 18 18 GLY N N 18 110.100 110.100 113.416 -3.316 25195 716 1 2 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.349 0.351 25195 717 1 2 . 1 1 18 18 GLY H H 18 8.370 8.370 8.499 -0.129 25195 718 1 2 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.478 -0.038 25195 719 1 2 . 1 1 19 19 PRO C C 19 177.700 177.700 176.800 0.900 25195 720 1 2 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.785 0.915 25195 721 1 2 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.410 -0.010 25195 722 1 2 . 1 1 20 20 GLY N N 20 109.200 109.200 108.955 0.245 25195 723 1 2 . 1 1 20 20 GLY C C 20 174.400 174.400 174.786 -0.386 25195 724 1 2 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.781 0.620 25195 725 1 2 . 1 1 20 20 GLY H H 20 8.620 8.620 8.331 0.289 25195 726 1 2 . 1 1 21 21 SER N N 21 115.000 115.000 118.170 -3.170 25195 727 1 2 . 1 1 21 21 SER HA H 21 4.420 4.420 4.448 -0.028 25195 728 1 2 . 1 1 21 21 SER C C 21 174.600 174.600 174.500 0.100 25195 729 1 2 . 1 1 21 21 SER CA C 21 58.600 58.600 58.140 0.460 25195 730 1 2 . 1 1 21 21 SER CB C 21 64.100 64.100 63.710 0.390 25195 731 1 2 . 1 1 21 21 SER H H 21 8.180 8.180 8.412 -0.232 25195 732 1 2 . 1 1 22 22 MET N N 22 121.500 121.500 122.930 -1.430 25195 733 1 2 . 1 1 22 22 MET HA H 22 4.440 4.440 4.347 0.093 25195 734 1 2 . 1 1 22 22 MET C C 22 175.100 175.100 175.668 -0.568 25195 735 1 2 . 1 1 22 22 MET CA C 22 55.600 55.600 55.149 0.451 25195 736 1 2 . 1 1 22 22 MET CB C 22 33.600 33.600 31.071 2.529 25195 737 1 2 . 1 1 22 22 MET H H 22 8.340 8.340 7.743 0.597 25195 738 1 2 . 1 1 23 23 ASP N N 23 123.000 123.000 127.663 -4.663 25195 739 1 2 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.824 -0.214 25195 740 1 2 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.332 1.468 25195 741 1 2 . 1 1 23 23 ASP CB C 23 41.700 41.700 40.243 1.457 25195 742 1 2 . 1 1 23 23 ASP H H 23 8.170 8.170 8.686 -0.516 25195 743 1 2 . 1 1 24 24 VAL N N 24 123.200 123.200 122.940 0.260 25195 744 1 2 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.550 0.490 25195 745 1 2 . 1 1 24 24 VAL C C 24 174.900 174.900 175.127 -0.227 25195 746 1 2 . 1 1 24 24 VAL CA C 24 60.900 60.900 61.198 -0.298 25195 747 1 2 . 1 1 24 24 VAL CB C 24 35.100 35.100 33.311 1.789 25195 748 1 2 . 1 1 24 24 VAL H H 24 8.210 8.210 7.569 0.641 25195 749 1 2 . 1 1 25 25 THR N N 25 124.200 124.200 124.642 -0.442 25195 750 1 2 . 1 1 25 25 THR HA H 25 5.310 5.310 5.057 0.253 25195 751 1 2 . 1 1 25 25 THR C C 25 172.300 172.300 173.070 -0.770 25195 752 1 2 . 1 1 25 25 THR CA C 25 61.800 61.800 61.166 0.633 25195 753 1 2 . 1 1 25 25 THR CB C 25 71.600 71.600 70.829 0.771 25195 754 1 2 . 1 1 25 25 THR H H 25 9.170 9.170 8.769 0.401 25195 755 1 2 . 1 1 26 26 ILE N N 26 122.500 122.500 122.857 -0.357 25195 756 1 2 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.617 0.653 25195 757 1 2 . 1 1 26 26 ILE C C 26 172.200 172.200 174.338 -2.138 25195 758 1 2 . 1 1 26 26 ILE CA C 26 57.700 57.700 57.766 -0.066 25195 759 1 2 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.207 2.093 25195 760 1 2 . 1 1 26 26 ILE H H 26 8.910 8.910 9.040 -0.130 25195 761 1 2 . 1 1 27 27 TYR N N 27 129.400 129.400 122.567 6.833 25195 762 1 2 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.591 -0.411 25195 763 1 2 . 1 1 27 27 TYR CA C 27 58.500 58.500 55.470 3.030 25195 764 1 2 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.407 -2.308 25195 765 1 2 . 1 1 27 27 TYR H H 27 9.090 9.090 8.976 0.114 25195 766 1 2 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.662 4.038 25195 767 1 2 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.317 0.533 25195 768 1 2 . 1 1 30 30 PRO C C 30 177.000 177.000 175.497 1.503 25195 769 1 2 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.005 1.195 25195 770 1 2 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.094 2.606 25195 771 1 2 . 1 1 31 31 VAL N N 31 112.100 112.100 122.619 -10.519 25195 772 1 2 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.409 -0.249 25195 773 1 2 . 1 1 31 31 VAL C C 31 175.000 175.000 174.894 0.106 25195 774 1 2 . 1 1 31 31 VAL CA C 31 62.000 62.000 59.782 2.218 25195 775 1 2 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.999 -2.499 25195 776 1 2 . 1 1 31 31 VAL H H 31 7.290 7.290 8.302 -1.012 25195 777 1 2 . 1 1 32 32 CYS N N 32 126.100 126.100 124.664 1.436 25195 778 1 2 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.267 0.093 25195 779 1 2 . 1 1 32 32 CYS CA C 32 59.300 59.300 59.402 -0.102 25195 780 1 2 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.755 2.445 25195 781 1 2 . 1 1 32 32 CYS H H 32 7.780 7.780 8.909 -1.129 25195 782 1 2 . 1 1 33 33 GLY C C 33 177.400 177.400 175.839 1.561 25195 783 1 2 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.686 1.014 25195 784 1 2 . 1 1 34 34 THR N N 34 123.700 123.700 116.861 6.839 25195 785 1 2 . 1 1 34 34 THR HA H 34 4.250 4.250 3.955 0.295 25195 786 1 2 . 1 1 34 34 THR C C 34 175.600 175.600 176.358 -0.758 25195 787 1 2 . 1 1 34 34 THR CA C 34 67.600 67.600 65.958 1.642 25195 788 1 2 . 1 1 34 34 THR CB C 34 68.700 68.700 68.911 -0.211 25195 789 1 2 . 1 1 34 34 THR H H 34 9.110 9.110 8.113 0.997 25195 790 1 2 . 1 1 35 35 SER N N 35 123.600 123.600 117.266 6.334 25195 791 1 2 . 1 1 35 35 SER C C 35 177.900 177.900 176.606 1.294 25195 792 1 2 . 1 1 35 35 SER CA C 35 63.800 63.800 61.557 2.243 25195 793 1 2 . 1 1 35 35 SER CB C 35 63.800 63.800 63.110 0.690 25195 794 1 2 . 1 1 35 35 SER H H 35 9.530 9.530 8.273 1.257 25195 795 1 2 . 1 1 36 36 ARG N N 36 113.400 113.400 120.129 -6.729 25195 796 1 2 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.132 -0.132 25195 797 1 2 . 1 1 36 36 ARG C C 36 179.200 179.200 178.652 0.548 25195 798 1 2 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.377 2.923 25195 799 1 2 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.998 1.302 25195 800 1 2 . 1 1 36 36 ARG H H 36 8.740 8.740 8.295 0.445 25195 801 1 2 . 1 1 37 37 LYS N N 37 121.900 121.900 120.929 0.971 25195 802 1 2 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.146 -0.006 25195 803 1 2 . 1 1 37 37 LYS C C 37 179.400 179.400 178.840 0.560 25195 804 1 2 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.655 0.045 25195 805 1 2 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.448 0.152 25195 806 1 2 . 1 1 37 37 LYS H H 37 7.980 7.980 7.766 0.214 25195 807 1 2 . 1 1 38 38 VAL N N 38 120.900 120.900 118.627 2.273 25195 808 1 2 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.620 0.000 25195 809 1 2 . 1 1 38 38 VAL C C 38 177.300 177.300 177.802 -0.502 25195 810 1 2 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.347 0.952 25195 811 1 2 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.539 0.361 25195 812 1 2 . 1 1 38 38 VAL H H 38 8.670 8.670 8.062 0.608 25195 813 1 2 . 1 1 39 39 LEU N N 39 120.200 120.200 120.295 -0.095 25195 814 1 2 . 1 1 39 39 LEU C C 39 178.300 178.300 179.572 -1.272 25195 815 1 2 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.700 0.899 25195 816 1 2 . 1 1 39 39 LEU CB C 39 41.600 41.600 40.441 1.159 25195 817 1 2 . 1 1 39 39 LEU H H 39 8.300 8.300 8.357 -0.057 25195 818 1 2 . 1 1 40 40 GLY N N 40 103.600 103.600 107.253 -3.653 25195 819 1 2 . 1 1 40 40 GLY C C 40 176.600 176.600 176.609 -0.009 25195 820 1 2 . 1 1 40 40 GLY CA C 40 47.400 47.400 46.956 0.444 25195 821 1 2 . 1 1 40 40 GLY H H 40 8.050 8.050 7.845 0.205 25195 822 1 2 . 1 1 41 41 MET N N 41 122.300 122.300 121.770 0.530 25195 823 1 2 . 1 1 41 41 MET HA H 41 4.030 4.030 4.155 -0.126 25195 824 1 2 . 1 1 41 41 MET C C 41 179.200 179.200 178.765 0.435 25195 825 1 2 . 1 1 41 41 MET CA C 41 59.900 59.900 57.892 2.008 25195 826 1 2 . 1 1 41 41 MET CB C 41 33.600 33.600 31.897 1.703 25195 827 1 2 . 1 1 41 41 MET H H 41 8.310 8.310 7.997 0.313 25195 828 1 2 . 1 1 42 42 ILE N N 42 120.600 120.600 119.391 1.209 25195 829 1 2 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.543 -0.003 25195 830 1 2 . 1 1 42 42 ILE C C 42 177.600 177.600 178.001 -0.401 25195 831 1 2 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.539 0.661 25195 832 1 2 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.384 1.716 25195 833 1 2 . 1 1 42 42 ILE H H 42 8.260 8.260 8.239 0.021 25195 834 1 2 . 1 1 43 43 ARG N N 43 117.200 117.200 119.102 -1.902 25195 835 1 2 . 1 1 43 43 ARG C C 43 182.100 182.100 179.110 2.990 25195 836 1 2 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.172 -0.072 25195 837 1 2 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.096 -0.696 25195 838 1 2 . 1 1 43 43 ARG H H 43 7.810 7.810 8.019 -0.209 25195 839 1 2 . 1 1 44 44 GLU N N 44 122.200 122.200 117.344 4.856 25195 840 1 2 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.182 -0.132 25195 841 1 2 . 1 1 44 44 GLU C C 44 177.600 177.600 177.787 -0.187 25195 842 1 2 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.131 0.969 25195 843 1 2 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.399 0.101 25195 844 1 2 . 1 1 44 44 GLU H H 44 8.670 8.670 7.902 0.768 25195 845 1 2 . 1 1 45 45 ALA N N 45 120.400 120.400 120.538 -0.138 25195 846 1 2 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.172 0.248 25195 847 1 2 . 1 1 45 45 ALA C C 45 177.300 177.300 177.849 -0.549 25195 848 1 2 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.115 -0.615 25195 849 1 2 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.665 -1.265 25195 850 1 2 . 1 1 45 45 ALA H H 45 7.430 7.430 7.860 -0.430 25195 851 1 2 . 1 1 46 46 GLY N N 46 106.000 106.000 105.060 0.940 25195 852 1 2 . 1 1 46 46 GLY C C 46 173.800 173.800 173.675 0.125 25195 853 1 2 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.874 0.426 25195 854 1 2 . 1 1 46 46 GLY H H 46 8.080 8.080 7.731 0.349 25195 855 1 2 . 1 1 47 47 ILE N N 47 121.500 121.500 118.117 3.383 25195 856 1 2 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.286 -0.186 25195 857 1 2 . 1 1 47 47 ILE C C 47 174.100 174.100 173.929 0.171 25195 858 1 2 . 1 1 47 47 ILE CA C 47 59.700 59.700 60.237 -0.537 25195 859 1 2 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.369 -1.269 25195 860 1 2 . 1 1 47 47 ILE H H 47 7.180 7.180 7.564 -0.384 25195 861 1 2 . 1 1 48 48 GLU N N 48 127.000 127.000 125.947 1.053 25195 862 1 2 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.759 0.441 25195 863 1 2 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.282 -0.982 25195 864 1 2 . 1 1 48 48 GLU CB C 48 29.400 29.400 31.078 -1.678 25195 865 1 2 . 1 1 48 48 GLU H H 48 8.440 8.440 8.791 -0.351 25195 866 1 2 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.744 -0.104 25195 867 1 2 . 1 1 49 49 PRO C C 49 175.200 175.200 176.169 -0.969 25195 868 1 2 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.736 -0.836 25195 869 1 2 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.729 -0.029 25195 870 1 2 . 1 1 50 50 HIS N N 50 119.000 119.000 118.589 0.411 25195 871 1 2 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.811 -0.111 25195 872 1 2 . 1 1 50 50 HIS C C 50 174.200 174.200 174.450 -0.250 25195 873 1 2 . 1 1 50 50 HIS CA C 50 55.400 55.400 55.459 -0.059 25195 874 1 2 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.882 -2.782 25195 875 1 2 . 1 1 50 50 HIS H H 50 9.160 9.160 8.535 0.625 25195 876 1 2 . 1 1 51 51 VAL N N 51 128.400 128.400 125.776 2.624 25195 877 1 2 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.491 -0.251 25195 878 1 2 . 1 1 51 51 VAL C C 51 175.600 175.600 174.796 0.804 25195 879 1 2 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.084 0.116 25195 880 1 2 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.934 -0.734 25195 881 1 2 . 1 1 51 51 VAL H H 51 8.760 8.760 8.692 0.068 25195 882 1 2 . 1 1 52 52 ILE N N 52 129.400 129.400 130.588 -1.188 25195 883 1 2 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.479 -0.259 25195 884 1 2 . 1 1 52 52 ILE C C 52 176.500 176.500 174.776 1.724 25195 885 1 2 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.659 -0.359 25195 886 1 2 . 1 1 52 52 ILE CB C 52 38.200 38.200 40.147 -1.947 25195 887 1 2 . 1 1 52 52 ILE H H 52 9.000 9.000 9.169 -0.169 25195 888 1 2 . 1 1 53 53 GLU N N 53 129.900 129.900 128.370 1.530 25195 889 1 2 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.610 0.520 25195 890 1 2 . 1 1 53 53 GLU C C 53 174.200 174.200 175.500 -1.300 25195 891 1 2 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.421 -0.521 25195 892 1 2 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.570 -1.270 25195 893 1 2 . 1 1 53 53 GLU H H 53 9.180 9.180 8.854 0.326 25195 894 1 2 . 1 1 54 54 TYR N N 54 124.200 124.200 126.704 -2.504 25195 895 1 2 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.704 0.496 25195 896 1 2 . 1 1 54 54 TYR C C 54 174.200 174.200 173.549 0.651 25195 897 1 2 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.588 -3.488 25195 898 1 2 . 1 1 54 54 TYR CB C 54 38.000 38.000 41.071 -3.071 25195 899 1 2 . 1 1 54 54 TYR H H 54 8.460 8.460 8.375 0.085 25195 900 1 2 . 1 1 55 55 MET N N 55 121.900 121.900 122.457 -0.557 25195 901 1 2 . 1 1 55 55 MET H H 55 7.660 7.660 7.332 0.328 25195 902 1 2 . 1 1 56 56 LYS C C 56 176.700 176.700 176.400 0.300 25195 903 1 2 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.848 0.052 25195 904 1 2 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.291 -4.091 25195 905 1 2 . 1 1 57 57 THR N N 57 114.700 114.700 115.347 -0.647 25195 906 1 2 . 1 1 57 57 THR HA H 57 4.720 4.720 4.551 0.169 25195 907 1 2 . 1 1 57 57 THR CB C 57 70.500 70.500 69.949 0.551 25195 908 1 2 . 1 1 57 57 THR H H 57 7.940 7.940 8.177 -0.237 25195 909 1 2 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.872 -0.172 25195 910 1 2 . 1 1 58 58 PRO C C 58 177.400 177.400 175.436 1.964 25195 911 1 2 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.526 0.274 25195 912 1 2 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.696 -0.096 25195 913 1 2 . 1 1 59 59 LEU N N 59 125.300 125.300 118.723 6.577 25195 914 1 2 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.759 -0.179 25195 915 1 2 . 1 1 59 59 LEU CB C 59 42.300 42.300 42.132 0.168 25195 916 1 2 . 1 1 59 59 LEU H H 59 8.760 8.760 7.997 0.763 25195 917 1 2 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.608 -0.098 25195 918 1 2 . 1 1 60 60 PRO C C 60 178.400 178.400 177.575 0.825 25195 919 1 2 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.112 -0.012 25195 920 1 2 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.576 -0.276 25195 921 1 2 . 1 1 61 61 ARG N N 61 125.800 125.800 120.512 5.288 25195 922 1 2 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.861 -0.161 25195 923 1 2 . 1 1 61 61 ARG C C 61 177.800 177.800 177.481 0.319 25195 924 1 2 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.862 0.938 25195 925 1 2 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.293 1.107 25195 926 1 2 . 1 1 61 61 ARG H H 61 8.980 8.980 8.777 0.203 25195 927 1 2 . 1 1 62 62 ASP N N 62 113.300 113.300 119.791 -6.491 25195 928 1 2 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.364 -0.124 25195 929 1 2 . 1 1 62 62 ASP C C 62 179.100 179.100 178.786 0.314 25195 930 1 2 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.158 -0.158 25195 931 1 2 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.130 -0.430 25195 932 1 2 . 1 1 62 62 ASP H H 62 8.820 8.820 8.779 0.041 25195 933 1 2 . 1 1 63 63 MET N N 63 118.800 118.800 118.387 0.413 25195 934 1 2 . 1 1 63 63 MET HA H 63 4.460 4.460 4.307 0.153 25195 935 1 2 . 1 1 63 63 MET C C 63 177.700 177.700 178.758 -1.058 25195 936 1 2 . 1 1 63 63 MET CA C 63 57.200 57.200 57.209 -0.009 25195 937 1 2 . 1 1 63 63 MET CB C 63 32.500 32.500 32.072 0.428 25195 938 1 2 . 1 1 63 63 MET H H 63 7.340 7.340 7.514 -0.174 25195 939 1 2 . 1 1 64 64 LEU N N 64 121.000 121.000 121.652 -0.652 25195 940 1 2 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.125 -0.165 25195 941 1 2 . 1 1 64 64 LEU C C 64 178.000 178.000 178.902 -0.902 25195 942 1 2 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.066 0.234 25195 943 1 2 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.612 -0.212 25195 944 1 2 . 1 1 64 64 LEU H H 64 7.570 7.570 8.097 -0.527 25195 945 1 2 . 1 1 65 65 VAL N N 65 117.200 117.200 119.349 -2.149 25195 946 1 2 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.610 -0.180 25195 947 1 2 . 1 1 65 65 VAL C C 65 178.500 178.500 177.418 1.082 25195 948 1 2 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.509 1.091 25195 949 1 2 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.779 0.221 25195 950 1 2 . 1 1 65 65 VAL H H 65 8.250 8.250 8.741 -0.491 25195 951 1 2 . 1 1 66 66 GLU N N 66 120.200 120.200 120.430 -0.230 25195 952 1 2 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.045 0.295 25195 953 1 2 . 1 1 66 66 GLU C C 66 178.500 178.500 178.778 -0.278 25195 954 1 2 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.212 -0.513 25195 955 1 2 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.331 -0.131 25195 956 1 2 . 1 1 66 66 GLU H H 66 7.510 7.510 8.133 -0.623 25195 957 1 2 . 1 1 67 67 LEU N N 67 121.100 121.100 119.416 1.684 25195 958 1 2 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.161 -0.171 25195 959 1 2 . 1 1 67 67 LEU C C 67 179.400 179.400 178.887 0.513 25195 960 1 2 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.332 1.068 25195 961 1 2 . 1 1 67 67 LEU CB C 67 41.800 41.800 41.429 0.371 25195 962 1 2 . 1 1 67 67 LEU H H 67 8.480 8.480 8.114 0.366 25195 963 1 2 . 1 1 68 68 LEU N N 68 118.500 118.500 117.783 0.717 25195 964 1 2 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.237 -0.457 25195 965 1 2 . 1 1 68 68 LEU C C 68 179.100 179.100 178.507 0.593 25195 966 1 2 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.613 1.087 25195 967 1 2 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.369 0.031 25195 968 1 2 . 1 1 68 68 LEU H H 68 8.250 8.250 8.230 0.020 25195 969 1 2 . 1 1 69 69 ARG N N 69 119.200 119.200 118.125 1.075 25195 970 1 2 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.335 -0.285 25195 971 1 2 . 1 1 69 69 ARG C C 69 180.400 180.400 178.371 2.029 25195 972 1 2 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.322 1.178 25195 973 1 2 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.818 0.282 25195 974 1 2 . 1 1 69 69 ARG H H 69 7.950 7.950 8.233 -0.283 25195 975 1 2 . 1 1 70 70 GLN N N 70 118.500 118.500 117.499 1.001 25195 976 1 2 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.136 -0.106 25195 977 1 2 . 1 1 70 70 GLN C C 70 179.900 179.900 178.042 1.858 25195 978 1 2 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.639 1.260 25195 979 1 2 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.723 0.677 25195 980 1 2 . 1 1 70 70 GLN H H 70 8.450 8.450 7.856 0.594 25195 981 1 2 . 1 1 71 71 MET N N 71 117.500 117.500 117.971 -0.471 25195 982 1 2 . 1 1 71 71 MET HA H 71 4.140 4.140 4.128 0.012 25195 983 1 2 . 1 1 71 71 MET C C 71 175.200 175.200 176.948 -1.748 25195 984 1 2 . 1 1 71 71 MET CA C 71 58.200 58.200 58.104 0.096 25195 985 1 2 . 1 1 71 71 MET CB C 71 36.200 36.200 33.143 3.057 25195 986 1 2 . 1 1 71 71 MET H H 71 8.380 8.380 7.844 0.536 25195 987 1 2 . 1 1 72 72 ALA N N 72 120.400 120.400 117.577 2.823 25195 988 1 2 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.455 -0.425 25195 989 1 2 . 1 1 72 72 ALA C C 72 176.600 176.600 176.907 -0.307 25195 990 1 2 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.254 0.546 25195 991 1 2 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.275 -4.775 25195 992 1 2 . 1 1 72 72 ALA H H 72 8.100 8.100 7.614 0.486 25195 993 1 2 . 1 1 73 73 ILE N N 73 108.600 108.600 115.274 -6.674 25195 994 1 2 . 1 1 73 73 ILE C C 73 174.700 174.700 174.576 0.124 25195 995 1 2 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.702 0.198 25195 996 1 2 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.144 2.456 25195 997 1 2 . 1 1 73 73 ILE H H 73 7.240 7.240 7.882 -0.642 25195 998 1 2 . 1 1 74 74 SER N N 74 116.500 116.500 117.376 -0.876 25195 999 1 2 . 1 1 74 74 SER HA H 74 4.780 4.780 4.508 0.272 25195 1000 1 2 . 1 1 74 74 SER CA C 74 55.900 55.900 59.101 -3.201 25195 1001 1 2 . 1 1 74 74 SER CB C 74 63.500 63.500 63.138 0.362 25195 1002 1 2 . 1 1 74 74 SER H H 74 8.290 8.290 8.565 -0.275 25195 1003 1 2 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.357 0.403 25195 1004 1 2 . 1 1 75 75 PRO C C 75 178.200 178.200 177.794 0.406 25195 1005 1 2 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.329 1.270 25195 1006 1 2 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.840 0.259 25195 1007 1 2 . 1 1 76 76 ARG N N 76 114.400 114.400 118.306 -3.906 25195 1008 1 2 . 1 1 76 76 ARG C C 76 178.100 178.100 175.959 2.141 25195 1009 1 2 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.475 1.525 25195 1010 1 2 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.455 -0.055 25195 1011 1 2 . 1 1 76 76 ARG H H 76 8.340 8.340 8.425 -0.085 25195 1012 1 2 . 1 1 77 77 ALA N N 77 119.400 119.400 120.488 -1.088 25195 1013 1 2 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.573 -0.343 25195 1014 1 2 . 1 1 77 77 ALA C C 77 178.100 178.100 176.599 1.501 25195 1015 1 2 . 1 1 77 77 ALA CA C 77 53.800 53.800 50.942 2.858 25195 1016 1 2 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.814 -0.214 25195 1017 1 2 . 1 1 77 77 ALA H H 77 7.720 7.720 7.532 0.188 25195 1018 1 2 . 1 1 78 78 LEU N N 78 119.400 119.400 119.422 -0.022 25195 1019 1 2 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.464 -0.084 25195 1020 1 2 . 1 1 78 78 LEU C C 78 174.800 174.800 176.020 -1.220 25195 1021 1 2 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.444 -2.544 25195 1022 1 2 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.929 0.171 25195 1023 1 2 . 1 1 78 78 LEU H H 78 7.610 7.610 7.442 0.168 25195 1024 1 2 . 1 1 79 79 LEU N N 79 118.700 118.700 121.761 -3.061 25195 1025 1 2 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.960 0.690 25195 1026 1 2 . 1 1 79 79 LEU C C 79 178.900 178.900 176.810 2.090 25195 1027 1 2 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.829 0.271 25195 1028 1 2 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.431 5.169 25195 1029 1 2 . 1 1 79 79 LEU H H 79 7.220 7.220 7.602 -0.382 25195 1030 1 2 . 1 1 80 80 ARG N N 80 124.000 124.000 124.787 -0.787 25195 1031 1 2 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.063 0.157 25195 1032 1 2 . 1 1 80 80 ARG C C 80 174.800 174.800 177.534 -2.734 25195 1033 1 2 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.644 -0.444 25195 1034 1 2 . 1 1 80 80 ARG CB C 80 30.700 30.700 31.352 -0.652 25195 1035 1 2 . 1 1 80 80 ARG H H 80 8.780 8.780 7.989 0.791 25195 1036 1 2 . 1 1 81 81 ALA N N 81 124.400 124.400 126.813 -2.413 25195 1037 1 2 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.158 -1.668 25195 1038 1 2 . 1 1 81 81 ALA C C 81 177.600 177.600 178.591 -0.991 25195 1039 1 2 . 1 1 81 81 ALA CA C 81 52.700 52.700 55.178 -2.478 25195 1040 1 2 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.883 -0.283 25195 1041 1 2 . 1 1 81 81 ALA H H 81 7.420 7.420 8.498 -1.078 25195 1042 1 2 . 1 1 82 82 LYS N N 82 114.500 114.500 117.659 -3.159 25195 1043 1 2 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.029 0.221 25195 1044 1 2 . 1 1 82 82 LYS C C 82 177.700 177.700 178.385 -0.685 25195 1045 1 2 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.218 -2.418 25195 1046 1 2 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.315 -0.915 25195 1047 1 2 . 1 1 82 82 LYS H H 82 8.190 8.190 8.305 -0.115 25195 1048 1 2 . 1 1 83 83 GLU N N 83 118.700 118.700 120.432 -1.732 25195 1049 1 2 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.362 -0.162 25195 1050 1 2 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.046 1.754 25195 1051 1 2 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.936 1.364 25195 1052 1 2 . 1 1 83 83 GLU H H 83 7.120 7.120 7.620 -0.500 25195 1053 1 2 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.912 0.298 25195 1054 1 2 . 1 1 84 84 ALA C C 84 180.900 180.900 179.315 1.585 25195 1055 1 2 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.705 -0.005 25195 1056 1 2 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.807 -1.007 25195 1057 1 2 . 1 1 85 85 ARG N N 85 115.800 115.800 118.681 -2.881 25195 1058 1 2 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.953 0.107 25195 1059 1 2 . 1 1 85 85 ARG C C 85 178.200 178.200 178.136 0.064 25195 1060 1 2 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.981 -2.081 25195 1061 1 2 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.507 0.393 25195 1062 1 2 . 1 1 85 85 ARG H H 85 9.280 9.280 8.182 1.098 25195 1063 1 2 . 1 1 86 86 TYR N N 86 118.300 118.300 120.129 -1.829 25195 1064 1 2 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.055 -0.215 25195 1065 1 2 . 1 1 86 86 TYR C C 86 176.500 176.500 176.791 -0.291 25195 1066 1 2 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.624 -0.424 25195 1067 1 2 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.876 0.324 25195 1068 1 2 . 1 1 86 86 TYR H H 86 7.270 7.270 8.661 -1.391 25195 1069 1 2 . 1 1 87 87 ALA N N 87 120.500 120.500 119.782 0.718 25195 1070 1 2 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.567 0.773 25195 1071 1 2 . 1 1 87 87 ALA C C 87 181.900 181.900 180.286 1.614 25195 1072 1 2 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.966 0.434 25195 1073 1 2 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.914 0.486 25195 1074 1 2 . 1 1 87 87 ALA H H 87 7.110 7.110 7.624 -0.514 25195 1075 1 2 . 1 1 88 88 GLU N N 88 119.500 119.500 120.076 -0.576 25195 1076 1 2 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.008 -0.028 25195 1077 1 2 . 1 1 88 88 GLU C C 88 178.800 178.800 178.479 0.321 25195 1078 1 2 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.819 0.481 25195 1079 1 2 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.536 0.964 25195 1080 1 2 . 1 1 88 88 GLU H H 88 8.240 8.240 8.086 0.154 25195 1081 1 2 . 1 1 89 89 LEU N N 89 115.100 115.100 117.206 -2.106 25195 1082 1 2 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.208 0.072 25195 1083 1 2 . 1 1 89 89 LEU C C 89 176.900 176.900 177.431 -0.531 25195 1084 1 2 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.547 -1.046 25195 1085 1 2 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.309 0.491 25195 1086 1 2 . 1 1 89 89 LEU H H 89 7.430 7.430 7.897 -0.467 25195 1087 1 2 . 1 1 90 90 GLY N N 90 108.200 108.200 105.944 2.256 25195 1088 1 2 . 1 1 90 90 GLY C C 90 176.900 176.900 175.827 1.073 25195 1089 1 2 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.576 1.424 25195 1090 1 2 . 1 1 90 90 GLY H H 90 7.690 7.690 7.657 0.033 25195 1091 1 2 . 1 1 91 91 LEU N N 91 113.000 113.000 119.745 -6.745 25195 1092 1 2 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.028 -0.258 25195 1093 1 2 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.367 -1.667 25195 1094 1 2 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.186 -1.886 25195 1095 1 2 . 1 1 91 91 LEU H H 91 7.000 7.000 7.374 -0.374 25195 1096 1 2 . 1 1 92 92 ASP N N 92 117.000 117.000 113.716 3.284 25195 1097 1 2 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.458 -0.018 25195 1098 1 2 . 1 1 92 92 ASP C C 92 175.400 175.400 176.434 -1.034 25195 1099 1 2 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.750 0.050 25195 1100 1 2 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.157 0.543 25195 1101 1 2 . 1 1 92 92 ASP H H 92 8.510 8.510 7.755 0.755 25195 1102 1 2 . 1 1 93 93 ASP N N 93 120.600 120.600 121.561 -0.961 25195 1103 1 2 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.603 -0.023 25195 1104 1 2 . 1 1 93 93 ASP C C 93 176.000 176.000 176.887 -0.887 25195 1105 1 2 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.688 -1.588 25195 1106 1 2 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.893 0.607 25195 1107 1 2 . 1 1 93 93 ASP H H 93 7.000 7.000 7.692 -0.692 25195 1108 1 2 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.306 -0.006 25195 1109 1 2 . 1 1 94 94 PRO C C 94 178.100 178.100 176.850 1.250 25195 1110 1 2 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.838 -0.038 25195 1111 1 2 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.925 0.275 25195 1112 1 2 . 1 1 95 95 ALA N N 95 121.900 121.900 120.541 1.359 25195 1113 1 2 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.268 0.002 25195 1114 1 2 . 1 1 95 95 ALA C C 95 178.400 178.400 177.549 0.851 25195 1115 1 2 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.184 0.316 25195 1116 1 2 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.969 0.231 25195 1117 1 2 . 1 1 95 95 ALA H H 95 8.610 8.610 8.094 0.516 25195 1118 1 2 . 1 1 96 96 LEU N N 96 117.600 117.600 119.196 -1.596 25195 1119 1 2 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.199 -0.029 25195 1120 1 2 . 1 1 96 96 LEU C C 96 177.600 177.600 176.087 1.513 25195 1121 1 2 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.319 0.180 25195 1122 1 2 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.611 -0.211 25195 1123 1 2 . 1 1 96 96 LEU H H 96 7.010 7.010 7.266 -0.256 25195 1124 1 2 . 1 1 97 97 SER N N 97 119.200 119.200 112.066 7.134 25195 1125 1 2 . 1 1 97 97 SER HA H 97 4.360 4.360 4.662 -0.302 25195 1126 1 2 . 1 1 97 97 SER C C 97 174.400 174.400 173.879 0.521 25195 1127 1 2 . 1 1 97 97 SER CA C 97 57.300 57.300 57.383 -0.083 25195 1128 1 2 . 1 1 97 97 SER CB C 97 64.900 64.900 65.951 -1.051 25195 1129 1 2 . 1 1 97 97 SER H H 97 8.620 8.620 8.103 0.517 25195 1130 1 2 . 1 1 98 98 ASP N N 98 122.000 122.000 123.204 -1.204 25195 1131 1 2 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.387 -0.117 25195 1132 1 2 . 1 1 98 98 ASP C C 98 178.100 178.100 178.426 -0.326 25195 1133 1 2 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.053 0.747 25195 1134 1 2 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.863 -0.763 25195 1135 1 2 . 1 1 98 98 ASP H H 98 9.050 9.050 8.789 0.261 25195 1136 1 2 . 1 1 99 99 GLU N N 99 116.100 116.100 120.110 -4.010 25195 1137 1 2 . 1 1 99 99 GLU HA H 99 3.790 3.790 3.942 -0.152 25195 1138 1 2 . 1 1 99 99 GLU C C 99 176.800 176.800 178.407 -1.607 25195 1139 1 2 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.892 0.008 25195 1140 1 2 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.382 -0.182 25195 1141 1 2 . 1 1 99 99 GLU H H 99 8.250 8.250 8.628 -0.378 25195 1142 1 2 . 1 1 100 100 VAL N N 100 118.000 118.000 117.546 0.454 25195 1143 1 2 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.869 -0.059 25195 1144 1 2 . 1 1 100 100 VAL C C 100 179.200 179.200 178.069 1.131 25195 1145 1 2 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.689 -0.089 25195 1146 1 2 . 1 1 100 100 VAL CB C 100 31.400 31.400 30.839 0.561 25195 1147 1 2 . 1 1 100 100 VAL H H 100 7.290 7.290 7.537 -0.247 25195 1148 1 2 . 1 1 101 101 LEU N N 101 120.100 120.100 121.012 -0.912 25195 1149 1 2 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.007 -0.057 25195 1150 1 2 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.108 -0.008 25195 1151 1 2 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.712 0.788 25195 1152 1 2 . 1 1 101 101 LEU H H 101 7.610 7.610 7.887 -0.277 25195 1153 1 2 . 1 1 102 102 ILE N N 102 118.900 118.900 120.101 -1.201 25195 1154 1 2 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.545 -0.125 25195 1155 1 2 . 1 1 102 102 ILE C C 102 177.700 177.700 177.646 0.054 25195 1156 1 2 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.451 -0.051 25195 1157 1 2 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.680 0.820 25195 1158 1 2 . 1 1 102 102 ILE H H 102 8.260 8.260 8.579 -0.319 25195 1159 1 2 . 1 1 103 103 ASP N N 103 118.000 118.000 119.711 -1.711 25195 1160 1 2 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.215 0.105 25195 1161 1 2 . 1 1 103 103 ASP C C 103 179.400 179.400 178.165 1.235 25195 1162 1 2 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.725 0.075 25195 1163 1 2 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.858 -0.758 25195 1164 1 2 . 1 1 103 103 ASP H H 103 8.080 8.080 8.054 0.026 25195 1165 1 2 . 1 1 104 104 ALA N N 104 121.500 121.500 121.313 0.187 25195 1166 1 2 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.043 0.027 25195 1167 1 2 . 1 1 104 104 ALA C C 104 179.900 179.900 179.265 0.635 25195 1168 1 2 . 1 1 104 104 ALA CA C 104 55.400 55.400 55.059 0.341 25195 1169 1 2 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.762 -1.062 25195 1170 1 2 . 1 1 104 104 ALA H H 104 8.210 8.210 7.837 0.373 25195 1171 1 2 . 1 1 105 105 MET N N 105 115.800 115.800 119.210 -3.410 25195 1172 1 2 . 1 1 105 105 MET HA H 105 3.940 3.940 4.136 -0.196 25195 1173 1 2 . 1 1 105 105 MET C C 105 176.700 176.700 178.423 -1.723 25195 1174 1 2 . 1 1 105 105 MET CA C 105 59.500 59.500 59.022 0.478 25195 1175 1 2 . 1 1 105 105 MET CB C 105 35.400 35.400 33.043 2.357 25195 1176 1 2 . 1 1 105 105 MET H H 105 7.520 7.520 7.731 -0.211 25195 1177 1 2 . 1 1 106 106 ILE N N 106 118.100 118.100 116.456 1.644 25195 1178 1 2 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.890 0.130 25195 1179 1 2 . 1 1 106 106 ILE C C 106 178.200 178.200 177.387 0.813 25195 1180 1 2 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.007 -1.007 25195 1181 1 2 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.909 -0.209 25195 1182 1 2 . 1 1 106 106 ILE H H 106 7.730 7.730 8.432 -0.702 25195 1183 1 2 . 1 1 107 107 SER N N 107 112.400 112.400 113.544 -1.144 25195 1184 1 2 . 1 1 107 107 SER HA H 107 4.340 4.340 4.445 -0.105 25195 1185 1 2 . 1 1 107 107 SER C C 107 174.800 174.800 174.644 0.156 25195 1186 1 2 . 1 1 107 107 SER CA C 107 60.400 60.400 59.115 1.285 25195 1187 1 2 . 1 1 107 107 SER CB C 107 64.000 64.000 64.141 -0.141 25195 1188 1 2 . 1 1 107 107 SER H H 107 8.160 8.160 7.369 0.791 25195 1189 1 2 . 1 1 108 108 ASN N N 108 116.400 116.400 120.561 -4.161 25195 1190 1 2 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.880 0.410 25195 1191 1 2 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.101 -1.001 25195 1192 1 2 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.582 1.618 25195 1193 1 2 . 1 1 108 108 ASN H H 108 7.700 7.700 7.756 -0.056 25195 1194 1 2 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.364 0.406 25195 1195 1 2 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.870 0.930 25195 1196 1 2 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.626 0.574 25195 1197 1 2 . 1 1 110 110 VAL N N 110 119.100 119.100 113.744 5.356 25195 1198 1 2 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.869 0.181 25195 1199 1 2 . 1 1 110 110 VAL C C 110 175.200 175.200 176.425 -1.225 25195 1200 1 2 . 1 1 110 110 VAL CA C 110 64.600 64.600 64.150 0.450 25195 1201 1 2 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.715 0.485 25195 1202 1 2 . 1 1 110 110 VAL H H 110 8.280 8.280 7.874 0.406 25195 1203 1 2 . 1 1 111 111 LEU N N 111 115.200 115.200 114.481 0.719 25195 1204 1 2 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.434 -0.034 25195 1205 1 2 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.828 2.372 25195 1206 1 2 . 1 1 111 111 LEU H H 111 8.420 8.420 7.338 1.082 25195 1207 1 2 . 1 1 112 112 MET N N 112 118.900 118.900 116.992 1.908 25195 1208 1 2 . 1 1 112 112 MET HA H 112 4.060 4.060 4.169 -0.109 25195 1209 1 2 . 1 1 112 112 MET CA C 112 56.500 56.500 56.453 0.047 25195 1210 1 2 . 1 1 112 112 MET CB C 112 35.600 35.600 31.813 3.787 25195 1211 1 2 . 1 1 112 112 MET H H 112 7.940 7.940 7.578 0.362 25195 1212 1 2 . 1 1 113 113 ASN N N 113 125.800 125.800 121.903 3.897 25195 1213 1 2 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.673 -0.033 25195 1214 1 2 . 1 1 113 113 ASN C C 113 170.700 170.700 176.371 -5.671 25195 1215 1 2 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.462 -1.262 25195 1216 1 2 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.810 -1.910 25195 1217 1 2 . 1 1 113 113 ASN H H 113 9.140 9.140 8.222 0.918 25195 1218 1 2 . 1 1 114 114 ARG N N 114 113.200 113.200 120.604 -7.404 25195 1219 1 2 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.857 -5.057 25195 1220 1 2 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.022 1.778 25195 1221 1 2 . 1 1 114 114 ARG H H 114 7.970 7.970 8.363 -0.393 25195 1222 1 2 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.424 0.396 25195 1223 1 2 . 1 1 115 115 PRO C C 115 175.400 175.400 175.818 -0.418 25195 1224 1 2 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.183 0.417 25195 1225 1 2 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.731 2.669 25195 1226 1 2 . 1 1 116 116 VAL N N 116 124.500 124.500 126.882 -2.382 25195 1227 1 2 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.385 0.695 25195 1228 1 2 . 1 1 116 116 VAL C C 116 174.500 174.500 174.143 0.357 25195 1229 1 2 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.547 0.953 25195 1230 1 2 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.295 -2.295 25195 1231 1 2 . 1 1 116 116 VAL H H 116 7.840 7.840 8.829 -0.989 25195 1232 1 2 . 1 1 117 117 VAL N N 117 128.000 128.000 127.396 0.604 25195 1233 1 2 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.423 0.357 25195 1234 1 2 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.874 1.125 25195 1235 1 2 . 1 1 117 117 VAL CB C 117 34.800 34.800 33.680 1.120 25195 1236 1 2 . 1 1 117 117 VAL H H 117 8.670 8.670 9.081 -0.411 25195 1237 1 2 . 1 1 118 118 VAL N N 118 125.700 125.700 128.665 -2.965 25195 1238 1 2 . 1 1 118 118 VAL C C 118 175.700 175.700 174.381 1.319 25195 1239 1 2 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.911 0.289 25195 1240 1 2 . 1 1 118 118 VAL CB C 118 35.000 35.000 33.203 1.797 25195 1241 1 2 . 1 1 118 118 VAL H H 118 9.110 9.110 9.010 0.100 25195 1242 1 2 . 1 1 119 119 THR N N 119 118.500 118.500 117.619 0.881 25195 1243 1 2 . 1 1 119 119 THR HA H 119 5.490 5.490 5.033 0.457 25195 1244 1 2 . 1 1 119 119 THR CA C 119 58.800 58.800 58.593 0.207 25195 1245 1 2 . 1 1 119 119 THR CB C 119 69.800 69.800 71.383 -1.583 25195 1246 1 2 . 1 1 119 119 THR H H 119 9.370 9.370 8.717 0.653 25195 1247 1 2 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.463 0.017 25195 1248 1 2 . 1 1 120 120 PRO C C 120 177.800 177.800 177.136 0.664 25195 1249 1 2 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.760 0.340 25195 1250 1 2 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.808 0.492 25195 1251 1 2 . 1 1 121 121 LYS N N 121 113.600 113.600 117.965 -4.365 25195 1252 1 2 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.473 -0.213 25195 1253 1 2 . 1 1 121 121 LYS C C 121 176.400 176.400 175.742 0.658 25195 1254 1 2 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.421 1.779 25195 1255 1 2 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.983 -0.183 25195 1256 1 2 . 1 1 121 121 LYS H H 121 8.360 8.360 8.070 0.290 25195 1257 1 2 . 1 1 122 122 GLY N N 122 108.400 108.400 106.858 1.542 25195 1258 1 2 . 1 1 122 122 GLY C C 122 169.500 169.500 171.396 -1.896 25195 1259 1 2 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.854 0.246 25195 1260 1 2 . 1 1 122 122 GLY H H 122 7.900 7.900 7.428 0.472 25195 1261 1 2 . 1 1 123 123 VAL N N 123 117.100 117.100 119.987 -2.887 25195 1262 1 2 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.980 0.480 25195 1263 1 2 . 1 1 123 123 VAL C C 123 176.100 176.100 174.775 1.325 25195 1264 1 2 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.422 -0.422 25195 1265 1 2 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.940 -0.140 25195 1266 1 2 . 1 1 123 123 VAL H H 123 8.080 8.080 8.425 -0.345 25195 1267 1 2 . 1 1 124 124 ARG N N 124 122.300 122.300 125.976 -3.676 25195 1268 1 2 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.571 0.089 25195 1269 1 2 . 1 1 124 124 ARG C C 124 174.800 174.800 174.189 0.611 25195 1270 1 2 . 1 1 124 124 ARG CA C 124 54.400 54.400 53.766 0.634 25195 1271 1 2 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.136 1.764 25195 1272 1 2 . 1 1 124 124 ARG H H 124 8.510 8.510 8.785 -0.275 25195 1273 1 2 . 1 1 125 125 LEU N N 125 125.500 125.500 121.812 3.688 25195 1274 1 2 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.296 0.304 25195 1275 1 2 . 1 1 125 125 LEU C C 125 176.500 176.500 178.227 -1.727 25195 1276 1 2 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.069 -1.369 25195 1277 1 2 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.886 -1.986 25195 1278 1 2 . 1 1 125 125 LEU H H 125 8.860 8.860 8.639 0.221 25195 1279 1 2 . 1 1 126 126 CYS N N 126 129.700 129.700 125.309 4.391 25195 1280 1 2 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.214 0.276 25195 1281 1 2 . 1 1 126 126 CYS C C 126 172.000 172.000 174.166 -2.166 25195 1282 1 2 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.739 0.161 25195 1283 1 2 . 1 1 126 126 CYS CB C 126 27.300 27.300 28.040 -0.740 25195 1284 1 2 . 1 1 126 126 CYS H H 126 8.540 8.540 8.596 -0.056 25195 1285 1 2 . 1 1 127 127 ARG N N 127 117.500 117.500 118.329 -0.829 25195 1286 1 2 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.709 -0.519 25195 1287 1 2 . 1 1 127 127 ARG CA C 127 53.200 53.200 52.622 0.578 25195 1288 1 2 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.480 1.920 25195 1289 1 2 . 1 1 127 127 ARG H H 127 6.930 6.930 7.140 -0.210 25195 1290 1 2 . 1 1 128 128 PRO C C 128 177.100 177.100 177.145 -0.045 25195 1291 1 2 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.562 0.638 25195 1292 1 2 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.543 2.757 25195 1293 1 2 . 1 1 129 129 ALA N N 129 124.000 124.000 120.753 3.247 25195 1294 1 2 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.021 -0.171 25195 1295 1 2 . 1 1 129 129 ALA C C 129 177.700 177.700 179.979 -2.279 25195 1296 1 2 . 1 1 129 129 ALA CA C 129 55.200 55.200 55.129 0.071 25195 1297 1 2 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.387 1.513 25195 1298 1 2 . 1 1 129 129 ALA H H 129 9.320 9.320 8.565 0.755 25195 1299 1 2 . 1 1 130 130 GLU N N 130 111.600 111.600 117.650 -6.050 25195 1300 1 2 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.063 -0.223 25195 1301 1 2 . 1 1 130 130 GLU C C 130 178.200 178.200 179.255 -1.055 25195 1302 1 2 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.702 0.798 25195 1303 1 2 . 1 1 130 130 GLU CB C 130 28.100 28.100 28.616 -0.516 25195 1304 1 2 . 1 1 130 130 GLU H H 130 9.490 9.490 8.841 0.649 25195 1305 1 2 . 1 1 131 131 THR N N 131 116.100 116.100 113.856 2.244 25195 1306 1 2 . 1 1 131 131 THR HA H 131 4.040 4.040 4.023 0.017 25195 1307 1 2 . 1 1 131 131 THR C C 131 175.800 175.800 176.571 -0.771 25195 1308 1 2 . 1 1 131 131 THR CA C 131 65.600 65.600 65.672 -0.072 25195 1309 1 2 . 1 1 131 131 THR CB C 131 69.800 69.800 68.427 1.373 25195 1310 1 2 . 1 1 131 131 THR H H 131 7.940 7.940 7.567 0.373 25195 1311 1 2 . 1 1 132 132 VAL N N 132 119.200 119.200 122.266 -3.066 25195 1312 1 2 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.682 0.198 25195 1313 1 2 . 1 1 132 132 VAL C C 132 176.500 176.500 177.711 -1.211 25195 1314 1 2 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.624 -1.524 25195 1315 1 2 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.670 0.730 25195 1316 1 2 . 1 1 132 132 VAL H H 132 8.130 8.130 7.711 0.419 25195 1317 1 2 . 1 1 133 133 GLN N N 133 118.500 118.500 118.590 -0.090 25195 1318 1 2 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.045 -0.195 25195 1319 1 2 . 1 1 133 133 GLN C C 133 178.500 178.500 178.165 0.335 25195 1320 1 2 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.610 0.190 25195 1321 1 2 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.369 -0.369 25195 1322 1 2 . 1 1 133 133 GLN H H 133 7.690 7.690 7.816 -0.126 25195 1323 1 2 . 1 1 134 134 GLU N N 134 115.200 115.200 118.531 -3.331 25195 1324 1 2 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.150 -0.010 25195 1325 1 2 . 1 1 134 134 GLU C C 134 177.000 177.000 178.160 -1.160 25195 1326 1 2 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.806 -0.006 25195 1327 1 2 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.125 -0.225 25195 1328 1 2 . 1 1 134 134 GLU H H 134 7.620 7.620 7.686 -0.066 25195 1329 1 2 . 1 1 135 135 LEU N N 135 115.600 115.600 119.903 -4.303 25195 1330 1 2 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.175 0.045 25195 1331 1 2 . 1 1 135 135 LEU C C 135 176.100 176.100 176.475 -0.375 25195 1332 1 2 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.526 -2.725 25195 1333 1 2 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.723 0.577 25195 1334 1 2 . 1 1 135 135 LEU H H 135 7.740 7.740 7.593 0.147 25195 1335 1 3 . 1 1 9 9 MET C C 9 176.700 176.700 174.370 2.330 25195 1336 1 3 . 1 1 9 9 MET CA C 9 55.600 55.600 55.624 -0.024 25195 1337 1 3 . 1 1 9 9 MET CB C 9 32.700 32.700 35.016 -2.316 25195 1338 1 3 . 1 1 10 10 GLY N N 10 109.800 109.800 109.140 0.660 25195 1339 1 3 . 1 1 10 10 GLY C C 10 174.400 174.400 174.023 0.377 25195 1340 1 3 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.206 0.094 25195 1341 1 3 . 1 1 10 10 GLY H H 10 8.480 8.480 8.534 -0.054 25195 1342 1 3 . 1 1 11 11 THR N N 11 113.500 113.500 117.191 -3.691 25195 1343 1 3 . 1 1 11 11 THR HA H 11 4.330 4.330 4.302 0.028 25195 1344 1 3 . 1 1 11 11 THR CA C 11 62.100 62.100 64.312 -2.212 25195 1345 1 3 . 1 1 11 11 THR CB C 11 69.900 69.900 69.149 0.751 25195 1346 1 3 . 1 1 11 11 THR H H 11 8.080 8.080 7.727 0.353 25195 1347 1 3 . 1 1 12 12 LEU N N 12 123.900 123.900 124.217 -0.317 25195 1348 1 3 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.601 -0.291 25195 1349 1 3 . 1 1 12 12 LEU C C 12 177.700 177.700 175.073 2.627 25195 1350 1 3 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.498 1.302 25195 1351 1 3 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.030 -1.830 25195 1352 1 3 . 1 1 12 12 LEU H H 12 8.390 8.390 8.807 -0.417 25195 1353 1 3 . 1 1 13 13 GLU N N 13 121.300 121.300 123.318 -2.018 25195 1354 1 3 . 1 1 13 13 GLU HA H 13 4.200 4.200 5.167 -0.967 25195 1355 1 3 . 1 1 13 13 GLU C C 13 176.500 176.500 174.315 2.185 25195 1356 1 3 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.420 1.680 25195 1357 1 3 . 1 1 13 13 GLU CB C 13 29.900 29.900 32.393 -2.493 25195 1358 1 3 . 1 1 13 13 GLU H H 13 8.430 8.430 8.830 -0.400 25195 1359 1 3 . 1 1 14 14 ALA N N 14 124.100 124.100 122.617 1.483 25195 1360 1 3 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.559 -0.289 25195 1361 1 3 . 1 1 14 14 ALA C C 14 177.900 177.900 175.417 2.483 25195 1362 1 3 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.561 1.239 25195 1363 1 3 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.838 -1.638 25195 1364 1 3 . 1 1 14 14 ALA H H 14 8.270 8.270 8.386 -0.116 25195 1365 1 3 . 1 1 15 15 GLN N N 15 118.900 118.900 119.547 -0.647 25195 1366 1 3 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.730 -0.490 25195 1367 1 3 . 1 1 15 15 GLN C C 15 176.500 176.500 174.739 1.761 25195 1368 1 3 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.551 0.249 25195 1369 1 3 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.990 -0.590 25195 1370 1 3 . 1 1 15 15 GLN H H 15 8.360 8.360 8.451 -0.091 25195 1371 1 3 . 1 1 16 16 THR N N 16 114.900 114.900 116.244 -1.344 25195 1372 1 3 . 1 1 16 16 THR HA H 16 4.360 4.360 4.358 0.002 25195 1373 1 3 . 1 1 16 16 THR C C 16 174.600 174.600 173.323 1.277 25195 1374 1 3 . 1 1 16 16 THR CA C 16 61.900 61.900 61.770 0.130 25195 1375 1 3 . 1 1 16 16 THR CB C 16 69.800 69.800 70.088 -0.288 25195 1376 1 3 . 1 1 16 16 THR H H 16 8.190 8.190 8.368 -0.178 25195 1377 1 3 . 1 1 17 17 GLN N N 17 122.100 122.100 121.710 0.390 25195 1378 1 3 . 1 1 17 17 GLN C C 17 176.100 176.100 176.047 0.053 25195 1379 1 3 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.753 -1.053 25195 1380 1 3 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.041 0.659 25195 1381 1 3 . 1 1 17 17 GLN H H 17 8.440 8.440 8.379 0.061 25195 1382 1 3 . 1 1 18 18 GLY N N 18 110.100 110.100 113.341 -3.241 25195 1383 1 3 . 1 1 18 18 GLY CA C 18 44.700 44.700 43.987 0.713 25195 1384 1 3 . 1 1 18 18 GLY H H 18 8.370 8.370 8.421 -0.051 25195 1385 1 3 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.471 -0.031 25195 1386 1 3 . 1 1 19 19 PRO C C 19 177.700 177.700 177.509 0.191 25195 1387 1 3 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.404 1.296 25195 1388 1 3 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.604 -0.204 25195 1389 1 3 . 1 1 20 20 GLY N N 20 109.200 109.200 106.928 2.272 25195 1390 1 3 . 1 1 20 20 GLY C C 20 174.400 174.400 174.841 -0.441 25195 1391 1 3 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.039 0.361 25195 1392 1 3 . 1 1 20 20 GLY H H 20 8.620 8.620 8.474 0.146 25195 1393 1 3 . 1 1 21 21 SER N N 21 115.000 115.000 117.955 -2.955 25195 1394 1 3 . 1 1 21 21 SER HA H 21 4.420 4.420 4.432 -0.012 25195 1395 1 3 . 1 1 21 21 SER C C 21 174.600 174.600 174.931 -0.331 25195 1396 1 3 . 1 1 21 21 SER CA C 21 58.600 58.600 58.188 0.412 25195 1397 1 3 . 1 1 21 21 SER CB C 21 64.100 64.100 63.357 0.743 25195 1398 1 3 . 1 1 21 21 SER H H 21 8.180 8.180 8.322 -0.142 25195 1399 1 3 . 1 1 22 22 MET N N 22 121.500 121.500 120.073 1.427 25195 1400 1 3 . 1 1 22 22 MET HA H 22 4.440 4.440 4.474 -0.034 25195 1401 1 3 . 1 1 22 22 MET C C 22 175.100 175.100 175.169 -0.069 25195 1402 1 3 . 1 1 22 22 MET CA C 22 55.600 55.600 56.881 -1.281 25195 1403 1 3 . 1 1 22 22 MET CB C 22 33.600 33.600 32.990 0.610 25195 1404 1 3 . 1 1 22 22 MET H H 22 8.340 8.340 7.830 0.510 25195 1405 1 3 . 1 1 23 23 ASP N N 23 123.000 123.000 123.451 -0.451 25195 1406 1 3 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.895 -0.285 25195 1407 1 3 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.910 0.890 25195 1408 1 3 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.152 0.548 25195 1409 1 3 . 1 1 23 23 ASP H H 23 8.170 8.170 8.650 -0.480 25195 1410 1 3 . 1 1 24 24 VAL N N 24 123.200 123.200 114.934 8.266 25195 1411 1 3 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.724 0.316 25195 1412 1 3 . 1 1 24 24 VAL C C 24 174.900 174.900 174.326 0.574 25195 1413 1 3 . 1 1 24 24 VAL CA C 24 60.900 60.900 59.972 0.928 25195 1414 1 3 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.870 0.230 25195 1415 1 3 . 1 1 24 24 VAL H H 24 8.210 8.210 7.719 0.491 25195 1416 1 3 . 1 1 25 25 THR N N 25 124.200 124.200 120.417 3.783 25195 1417 1 3 . 1 1 25 25 THR HA H 25 5.310 5.310 4.890 0.420 25195 1418 1 3 . 1 1 25 25 THR C C 25 172.300 172.300 172.859 -0.559 25195 1419 1 3 . 1 1 25 25 THR CA C 25 61.800 61.800 61.032 0.768 25195 1420 1 3 . 1 1 25 25 THR CB C 25 71.600 71.600 71.254 0.346 25195 1421 1 3 . 1 1 25 25 THR H H 25 9.170 9.170 8.531 0.639 25195 1422 1 3 . 1 1 26 26 ILE N N 26 122.500 122.500 122.642 -0.142 25195 1423 1 3 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.356 0.914 25195 1424 1 3 . 1 1 26 26 ILE C C 26 172.200 172.200 174.157 -1.957 25195 1425 1 3 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.134 -0.434 25195 1426 1 3 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.172 2.127 25195 1427 1 3 . 1 1 26 26 ILE H H 26 8.910 8.910 8.899 0.011 25195 1428 1 3 . 1 1 27 27 TYR N N 27 129.400 129.400 122.615 6.785 25195 1429 1 3 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.460 -0.280 25195 1430 1 3 . 1 1 27 27 TYR CA C 27 58.500 58.500 55.776 2.724 25195 1431 1 3 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.146 -2.046 25195 1432 1 3 . 1 1 27 27 TYR H H 27 9.090 9.090 8.947 0.143 25195 1433 1 3 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.595 3.105 25195 1434 1 3 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.332 0.518 25195 1435 1 3 . 1 1 30 30 PRO C C 30 177.000 177.000 175.862 1.138 25195 1436 1 3 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.861 1.339 25195 1437 1 3 . 1 1 30 30 PRO CB C 30 32.700 32.700 32.110 0.590 25195 1438 1 3 . 1 1 31 31 VAL N N 31 112.100 112.100 122.713 -10.613 25195 1439 1 3 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.309 -0.149 25195 1440 1 3 . 1 1 31 31 VAL C C 31 175.000 175.000 175.378 -0.378 25195 1441 1 3 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.510 1.490 25195 1442 1 3 . 1 1 31 31 VAL CB C 31 31.500 31.500 35.473 -3.973 25195 1443 1 3 . 1 1 31 31 VAL H H 31 7.290 7.290 8.197 -0.907 25195 1444 1 3 . 1 1 32 32 CYS N N 32 126.100 126.100 125.811 0.289 25195 1445 1 3 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.100 0.260 25195 1446 1 3 . 1 1 32 32 CYS CA C 32 59.300 59.300 60.860 -1.560 25195 1447 1 3 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.606 2.594 25195 1448 1 3 . 1 1 32 32 CYS H H 32 7.780 7.780 8.935 -1.155 25195 1449 1 3 . 1 1 33 33 GLY C C 33 177.400 177.400 175.687 1.713 25195 1450 1 3 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.779 0.921 25195 1451 1 3 . 1 1 34 34 THR N N 34 123.700 123.700 117.456 6.244 25195 1452 1 3 . 1 1 34 34 THR HA H 34 4.250 4.250 3.988 0.262 25195 1453 1 3 . 1 1 34 34 THR C C 34 175.600 175.600 176.391 -0.791 25195 1454 1 3 . 1 1 34 34 THR CA C 34 67.600 67.600 66.024 1.576 25195 1455 1 3 . 1 1 34 34 THR CB C 34 68.700 68.700 68.408 0.292 25195 1456 1 3 . 1 1 34 34 THR H H 34 9.110 9.110 8.048 1.062 25195 1457 1 3 . 1 1 35 35 SER N N 35 123.600 123.600 117.874 5.726 25195 1458 1 3 . 1 1 35 35 SER C C 35 177.900 177.900 176.674 1.226 25195 1459 1 3 . 1 1 35 35 SER CA C 35 63.800 63.800 61.758 2.042 25195 1460 1 3 . 1 1 35 35 SER CB C 35 63.800 63.800 63.048 0.752 25195 1461 1 3 . 1 1 35 35 SER H H 35 9.530 9.530 8.227 1.303 25195 1462 1 3 . 1 1 36 36 ARG N N 36 113.400 113.400 119.694 -6.294 25195 1463 1 3 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.132 -0.132 25195 1464 1 3 . 1 1 36 36 ARG C C 36 179.200 179.200 178.751 0.449 25195 1465 1 3 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.392 2.908 25195 1466 1 3 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.805 1.495 25195 1467 1 3 . 1 1 36 36 ARG H H 36 8.740 8.740 7.796 0.944 25195 1468 1 3 . 1 1 37 37 LYS N N 37 121.900 121.900 120.803 1.097 25195 1469 1 3 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.181 -0.041 25195 1470 1 3 . 1 1 37 37 LYS C C 37 179.400 179.400 178.662 0.738 25195 1471 1 3 . 1 1 37 37 LYS CA C 37 59.700 59.700 58.845 0.855 25195 1472 1 3 . 1 1 37 37 LYS CB C 37 32.600 32.600 31.905 0.695 25195 1473 1 3 . 1 1 37 37 LYS H H 37 7.980 7.980 7.784 0.196 25195 1474 1 3 . 1 1 38 38 VAL N N 38 120.900 120.900 121.025 -0.125 25195 1475 1 3 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.657 -0.037 25195 1476 1 3 . 1 1 38 38 VAL C C 38 177.300 177.300 177.417 -0.117 25195 1477 1 3 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.136 1.164 25195 1478 1 3 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.747 0.153 25195 1479 1 3 . 1 1 38 38 VAL H H 38 8.670 8.670 7.998 0.672 25195 1480 1 3 . 1 1 39 39 LEU N N 39 120.200 120.200 119.311 0.889 25195 1481 1 3 . 1 1 39 39 LEU C C 39 178.300 178.300 179.173 -0.873 25195 1482 1 3 . 1 1 39 39 LEU CA C 39 58.600 58.600 58.258 0.342 25195 1483 1 3 . 1 1 39 39 LEU CB C 39 41.600 41.600 40.476 1.124 25195 1484 1 3 . 1 1 39 39 LEU H H 39 8.300 8.300 8.367 -0.067 25195 1485 1 3 . 1 1 40 40 GLY N N 40 103.600 103.600 107.308 -3.708 25195 1486 1 3 . 1 1 40 40 GLY C C 40 176.600 176.600 176.645 -0.045 25195 1487 1 3 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.153 0.248 25195 1488 1 3 . 1 1 40 40 GLY H H 40 8.050 8.050 7.970 0.080 25195 1489 1 3 . 1 1 41 41 MET N N 41 122.300 122.300 121.693 0.607 25195 1490 1 3 . 1 1 41 41 MET HA H 41 4.030 4.030 4.102 -0.072 25195 1491 1 3 . 1 1 41 41 MET C C 41 179.200 179.200 178.799 0.401 25195 1492 1 3 . 1 1 41 41 MET CA C 41 59.900 59.900 58.399 1.501 25195 1493 1 3 . 1 1 41 41 MET CB C 41 33.600 33.600 32.035 1.565 25195 1494 1 3 . 1 1 41 41 MET H H 41 8.310 8.310 7.963 0.347 25195 1495 1 3 . 1 1 42 42 ILE N N 42 120.600 120.600 119.259 1.341 25195 1496 1 3 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.575 -0.035 25195 1497 1 3 . 1 1 42 42 ILE C C 42 177.600 177.600 178.172 -0.572 25195 1498 1 3 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.266 0.934 25195 1499 1 3 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.410 1.690 25195 1500 1 3 . 1 1 42 42 ILE H H 42 8.260 8.260 8.129 0.131 25195 1501 1 3 . 1 1 43 43 ARG N N 43 117.200 117.200 120.077 -2.877 25195 1502 1 3 . 1 1 43 43 ARG C C 43 182.100 182.100 178.766 3.334 25195 1503 1 3 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.315 -0.215 25195 1504 1 3 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.263 -0.863 25195 1505 1 3 . 1 1 43 43 ARG H H 43 7.810 7.810 8.308 -0.498 25195 1506 1 3 . 1 1 44 44 GLU N N 44 122.200 122.200 117.564 4.636 25195 1507 1 3 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.171 -0.121 25195 1508 1 3 . 1 1 44 44 GLU C C 44 177.600 177.600 178.220 -0.620 25195 1509 1 3 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.482 0.618 25195 1510 1 3 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.479 0.021 25195 1511 1 3 . 1 1 44 44 GLU H H 44 8.670 8.670 8.133 0.537 25195 1512 1 3 . 1 1 45 45 ALA N N 45 120.400 120.400 121.174 -0.774 25195 1513 1 3 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.162 0.258 25195 1514 1 3 . 1 1 45 45 ALA C C 45 177.300 177.300 178.096 -0.796 25195 1515 1 3 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.891 -0.391 25195 1516 1 3 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.607 -1.207 25195 1517 1 3 . 1 1 45 45 ALA H H 45 7.430 7.430 7.913 -0.483 25195 1518 1 3 . 1 1 46 46 GLY N N 46 106.000 106.000 105.585 0.415 25195 1519 1 3 . 1 1 46 46 GLY C C 46 173.800 173.800 173.747 0.053 25195 1520 1 3 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.678 0.622 25195 1521 1 3 . 1 1 46 46 GLY H H 46 8.080 8.080 7.758 0.322 25195 1522 1 3 . 1 1 47 47 ILE N N 47 121.500 121.500 120.226 1.274 25195 1523 1 3 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.343 -0.243 25195 1524 1 3 . 1 1 47 47 ILE C C 47 174.100 174.100 174.579 -0.479 25195 1525 1 3 . 1 1 47 47 ILE CA C 47 59.700 59.700 59.082 0.618 25195 1526 1 3 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.359 0.741 25195 1527 1 3 . 1 1 47 47 ILE H H 47 7.180 7.180 7.650 -0.470 25195 1528 1 3 . 1 1 48 48 GLU N N 48 127.000 127.000 125.459 1.541 25195 1529 1 3 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.741 0.459 25195 1530 1 3 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.740 -1.440 25195 1531 1 3 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.409 -1.009 25195 1532 1 3 . 1 1 48 48 GLU H H 48 8.440 8.440 8.682 -0.242 25195 1533 1 3 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.672 -0.032 25195 1534 1 3 . 1 1 49 49 PRO C C 49 175.200 175.200 176.148 -0.948 25195 1535 1 3 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.392 -0.492 25195 1536 1 3 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.677 0.023 25195 1537 1 3 . 1 1 50 50 HIS N N 50 119.000 119.000 119.734 -0.734 25195 1538 1 3 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.852 -0.152 25195 1539 1 3 . 1 1 50 50 HIS C C 50 174.200 174.200 174.907 -0.707 25195 1540 1 3 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.179 1.221 25195 1541 1 3 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.269 -2.169 25195 1542 1 3 . 1 1 50 50 HIS H H 50 9.160 9.160 8.383 0.777 25195 1543 1 3 . 1 1 51 51 VAL N N 51 128.400 128.400 124.784 3.616 25195 1544 1 3 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.387 -0.147 25195 1545 1 3 . 1 1 51 51 VAL C C 51 175.600 175.600 174.695 0.905 25195 1546 1 3 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.529 -0.329 25195 1547 1 3 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.966 0.234 25195 1548 1 3 . 1 1 51 51 VAL H H 51 8.760 8.760 8.721 0.039 25195 1549 1 3 . 1 1 52 52 ILE N N 52 129.400 129.400 128.054 1.346 25195 1550 1 3 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.426 -0.205 25195 1551 1 3 . 1 1 52 52 ILE C C 52 176.500 176.500 175.158 1.342 25195 1552 1 3 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.027 0.273 25195 1553 1 3 . 1 1 52 52 ILE CB C 52 38.200 38.200 40.074 -1.873 25195 1554 1 3 . 1 1 52 52 ILE H H 52 9.000 9.000 8.831 0.169 25195 1555 1 3 . 1 1 53 53 GLU N N 53 129.900 129.900 129.003 0.897 25195 1556 1 3 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.342 0.788 25195 1557 1 3 . 1 1 53 53 GLU C C 53 174.200 174.200 175.361 -1.161 25195 1558 1 3 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.424 -0.524 25195 1559 1 3 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.401 -1.101 25195 1560 1 3 . 1 1 53 53 GLU H H 53 9.180 9.180 8.721 0.459 25195 1561 1 3 . 1 1 54 54 TYR N N 54 124.200 124.200 126.205 -2.005 25195 1562 1 3 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.603 0.597 25195 1563 1 3 . 1 1 54 54 TYR C C 54 174.200 174.200 174.864 -0.664 25195 1564 1 3 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.185 -3.085 25195 1565 1 3 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.409 -2.409 25195 1566 1 3 . 1 1 54 54 TYR H H 54 8.460 8.460 8.209 0.251 25195 1567 1 3 . 1 1 55 55 MET N N 55 121.900 121.900 124.272 -2.372 25195 1568 1 3 . 1 1 55 55 MET H H 55 7.660 7.660 7.732 -0.072 25195 1569 1 3 . 1 1 56 56 LYS C C 56 176.700 176.700 176.112 0.588 25195 1570 1 3 . 1 1 56 56 LYS CA C 56 56.900 56.900 57.990 -1.090 25195 1571 1 3 . 1 1 56 56 LYS CB C 56 29.200 29.200 32.516 -3.316 25195 1572 1 3 . 1 1 57 57 THR N N 57 114.700 114.700 111.829 2.871 25195 1573 1 3 . 1 1 57 57 THR HA H 57 4.720 4.720 4.154 0.566 25195 1574 1 3 . 1 1 57 57 THR CB C 57 70.500 70.500 67.737 2.763 25195 1575 1 3 . 1 1 57 57 THR H H 57 7.940 7.940 7.697 0.243 25195 1576 1 3 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.499 0.201 25195 1577 1 3 . 1 1 58 58 PRO C C 58 177.400 177.400 175.678 1.722 25195 1578 1 3 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.766 0.034 25195 1579 1 3 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.479 0.121 25195 1580 1 3 . 1 1 59 59 LEU N N 59 125.300 125.300 123.490 1.810 25195 1581 1 3 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.844 -0.264 25195 1582 1 3 . 1 1 59 59 LEU CB C 59 42.300 42.300 42.296 0.004 25195 1583 1 3 . 1 1 59 59 LEU H H 59 8.760 8.760 8.096 0.664 25195 1584 1 3 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.725 -0.215 25195 1585 1 3 . 1 1 60 60 PRO C C 60 178.400 178.400 177.655 0.745 25195 1586 1 3 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.188 -0.088 25195 1587 1 3 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.673 -0.373 25195 1588 1 3 . 1 1 61 61 ARG N N 61 125.800 125.800 120.795 5.005 25195 1589 1 3 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.860 -0.160 25195 1590 1 3 . 1 1 61 61 ARG C C 61 177.800 177.800 177.728 0.072 25195 1591 1 3 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.948 0.852 25195 1592 1 3 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.425 0.975 25195 1593 1 3 . 1 1 61 61 ARG H H 61 8.980 8.980 8.767 0.213 25195 1594 1 3 . 1 1 62 62 ASP N N 62 113.300 113.300 118.669 -5.369 25195 1595 1 3 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.378 -0.138 25195 1596 1 3 . 1 1 62 62 ASP C C 62 179.100 179.100 178.138 0.962 25195 1597 1 3 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.382 -0.382 25195 1598 1 3 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.350 -0.650 25195 1599 1 3 . 1 1 62 62 ASP H H 62 8.820 8.820 8.720 0.100 25195 1600 1 3 . 1 1 63 63 MET N N 63 118.800 118.800 117.893 0.907 25195 1601 1 3 . 1 1 63 63 MET HA H 63 4.460 4.460 4.265 0.195 25195 1602 1 3 . 1 1 63 63 MET C C 63 177.700 177.700 178.791 -1.091 25195 1603 1 3 . 1 1 63 63 MET CA C 63 57.200 57.200 57.169 0.031 25195 1604 1 3 . 1 1 63 63 MET CB C 63 32.500 32.500 32.099 0.401 25195 1605 1 3 . 1 1 63 63 MET H H 63 7.340 7.340 7.494 -0.154 25195 1606 1 3 . 1 1 64 64 LEU N N 64 121.000 121.000 121.724 -0.724 25195 1607 1 3 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.141 -0.181 25195 1608 1 3 . 1 1 64 64 LEU C C 64 178.000 178.000 178.825 -0.825 25195 1609 1 3 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.112 0.188 25195 1610 1 3 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.660 -0.260 25195 1611 1 3 . 1 1 64 64 LEU H H 64 7.570 7.570 8.109 -0.539 25195 1612 1 3 . 1 1 65 65 VAL N N 65 117.200 117.200 119.947 -2.747 25195 1613 1 3 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.570 -0.140 25195 1614 1 3 . 1 1 65 65 VAL C C 65 178.500 178.500 177.449 1.051 25195 1615 1 3 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.644 0.956 25195 1616 1 3 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.790 0.210 25195 1617 1 3 . 1 1 65 65 VAL H H 65 8.250 8.250 8.759 -0.509 25195 1618 1 3 . 1 1 66 66 GLU N N 66 120.200 120.200 120.109 0.091 25195 1619 1 3 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.062 0.278 25195 1620 1 3 . 1 1 66 66 GLU C C 66 178.500 178.500 178.975 -0.475 25195 1621 1 3 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.434 -0.733 25195 1622 1 3 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.743 -0.543 25195 1623 1 3 . 1 1 66 66 GLU H H 66 7.510 7.510 7.932 -0.422 25195 1624 1 3 . 1 1 67 67 LEU N N 67 121.100 121.100 120.634 0.466 25195 1625 1 3 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.118 -0.128 25195 1626 1 3 . 1 1 67 67 LEU C C 67 179.400 179.400 178.426 0.974 25195 1627 1 3 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.222 0.178 25195 1628 1 3 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.256 -0.456 25195 1629 1 3 . 1 1 67 67 LEU H H 67 8.480 8.480 7.868 0.612 25195 1630 1 3 . 1 1 68 68 LEU N N 68 118.500 118.500 117.444 1.056 25195 1631 1 3 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.140 -0.360 25195 1632 1 3 . 1 1 68 68 LEU C C 68 179.100 179.100 178.203 0.897 25195 1633 1 3 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.128 0.572 25195 1634 1 3 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.336 0.064 25195 1635 1 3 . 1 1 68 68 LEU H H 68 8.250 8.250 8.298 -0.048 25195 1636 1 3 . 1 1 69 69 ARG N N 69 119.200 119.200 117.770 1.430 25195 1637 1 3 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.337 -0.287 25195 1638 1 3 . 1 1 69 69 ARG C C 69 180.400 180.400 178.371 2.029 25195 1639 1 3 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.241 1.259 25195 1640 1 3 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.778 0.322 25195 1641 1 3 . 1 1 69 69 ARG H H 69 7.950 7.950 8.030 -0.080 25195 1642 1 3 . 1 1 70 70 GLN N N 70 118.500 118.500 117.797 0.703 25195 1643 1 3 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.118 -0.088 25195 1644 1 3 . 1 1 70 70 GLN C C 70 179.900 179.900 177.935 1.965 25195 1645 1 3 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.794 1.106 25195 1646 1 3 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.662 0.738 25195 1647 1 3 . 1 1 70 70 GLN H H 70 8.450 8.450 7.729 0.721 25195 1648 1 3 . 1 1 71 71 MET N N 71 117.500 117.500 118.713 -1.213 25195 1649 1 3 . 1 1 71 71 MET HA H 71 4.140 4.140 4.088 0.052 25195 1650 1 3 . 1 1 71 71 MET C C 71 175.200 175.200 176.600 -1.400 25195 1651 1 3 . 1 1 71 71 MET CA C 71 58.200 58.200 58.446 -0.246 25195 1652 1 3 . 1 1 71 71 MET CB C 71 36.200 36.200 32.961 3.239 25195 1653 1 3 . 1 1 71 71 MET H H 71 8.380 8.380 7.960 0.420 25195 1654 1 3 . 1 1 72 72 ALA N N 72 120.400 120.400 117.915 2.485 25195 1655 1 3 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.529 -0.499 25195 1656 1 3 . 1 1 72 72 ALA C C 72 176.600 176.600 176.919 -0.319 25195 1657 1 3 . 1 1 72 72 ALA CA C 72 52.800 52.800 51.998 0.802 25195 1658 1 3 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.657 -5.157 25195 1659 1 3 . 1 1 72 72 ALA H H 72 8.100 8.100 7.482 0.618 25195 1660 1 3 . 1 1 73 73 ILE N N 73 108.600 108.600 116.960 -8.360 25195 1661 1 3 . 1 1 73 73 ILE C C 73 174.700 174.700 175.085 -0.385 25195 1662 1 3 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.924 -0.024 25195 1663 1 3 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.017 2.583 25195 1664 1 3 . 1 1 73 73 ILE H H 73 7.240 7.240 7.901 -0.661 25195 1665 1 3 . 1 1 74 74 SER N N 74 116.500 116.500 117.563 -1.063 25195 1666 1 3 . 1 1 74 74 SER HA H 74 4.780 4.780 4.497 0.283 25195 1667 1 3 . 1 1 74 74 SER CA C 74 55.900 55.900 58.795 -2.895 25195 1668 1 3 . 1 1 74 74 SER CB C 74 63.500 63.500 63.216 0.284 25195 1669 1 3 . 1 1 74 74 SER H H 74 8.290 8.290 8.512 -0.222 25195 1670 1 3 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.354 0.406 25195 1671 1 3 . 1 1 75 75 PRO C C 75 178.200 178.200 177.705 0.495 25195 1672 1 3 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.720 0.880 25195 1673 1 3 . 1 1 75 75 PRO CB C 75 32.100 32.100 32.048 0.052 25195 1674 1 3 . 1 1 76 76 ARG N N 76 114.400 114.400 118.927 -4.527 25195 1675 1 3 . 1 1 76 76 ARG C C 76 178.100 178.100 176.186 1.914 25195 1676 1 3 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.600 1.400 25195 1677 1 3 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.409 -1.009 25195 1678 1 3 . 1 1 76 76 ARG H H 76 8.340 8.340 8.118 0.222 25195 1679 1 3 . 1 1 77 77 ALA N N 77 119.400 119.400 118.476 0.924 25195 1680 1 3 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.556 -0.326 25195 1681 1 3 . 1 1 77 77 ALA C C 77 178.100 178.100 176.367 1.733 25195 1682 1 3 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.148 2.652 25195 1683 1 3 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.552 -0.952 25195 1684 1 3 . 1 1 77 77 ALA H H 77 7.720 7.720 7.608 0.112 25195 1685 1 3 . 1 1 78 78 LEU N N 78 119.400 119.400 120.452 -1.052 25195 1686 1 3 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.560 -0.180 25195 1687 1 3 . 1 1 78 78 LEU C C 78 174.800 174.800 176.046 -1.246 25195 1688 1 3 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.028 -2.128 25195 1689 1 3 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.510 0.590 25195 1690 1 3 . 1 1 78 78 LEU H H 78 7.610 7.610 7.266 0.344 25195 1691 1 3 . 1 1 79 79 LEU N N 79 118.700 118.700 121.002 -2.302 25195 1692 1 3 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.961 0.689 25195 1693 1 3 . 1 1 79 79 LEU C C 79 178.900 178.900 176.880 2.020 25195 1694 1 3 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.917 0.183 25195 1695 1 3 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.418 5.182 25195 1696 1 3 . 1 1 79 79 LEU H H 79 7.220 7.220 7.539 -0.319 25195 1697 1 3 . 1 1 80 80 ARG N N 80 124.000 124.000 124.438 -0.438 25195 1698 1 3 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.033 0.187 25195 1699 1 3 . 1 1 80 80 ARG C C 80 174.800 174.800 177.251 -2.451 25195 1700 1 3 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.776 -0.576 25195 1701 1 3 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.887 -0.188 25195 1702 1 3 . 1 1 80 80 ARG H H 80 8.780 8.780 8.112 0.668 25195 1703 1 3 . 1 1 81 81 ALA N N 81 124.400 124.400 123.306 1.094 25195 1704 1 3 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.242 -1.752 25195 1705 1 3 . 1 1 81 81 ALA C C 81 177.600 177.600 178.306 -0.706 25195 1706 1 3 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.872 -2.172 25195 1707 1 3 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.972 -0.372 25195 1708 1 3 . 1 1 81 81 ALA H H 81 7.420 7.420 8.684 -1.264 25195 1709 1 3 . 1 1 82 82 LYS N N 82 114.500 114.500 116.879 -2.379 25195 1710 1 3 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.035 0.215 25195 1711 1 3 . 1 1 82 82 LYS C C 82 177.700 177.700 178.148 -0.448 25195 1712 1 3 . 1 1 82 82 LYS CA C 82 55.800 55.800 57.905 -2.105 25195 1713 1 3 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.042 -0.642 25195 1714 1 3 . 1 1 82 82 LYS H H 82 8.190 8.190 8.422 -0.232 25195 1715 1 3 . 1 1 83 83 GLU N N 83 118.700 118.700 119.591 -0.891 25195 1716 1 3 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.356 -0.156 25195 1717 1 3 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.656 1.144 25195 1718 1 3 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.951 1.349 25195 1719 1 3 . 1 1 83 83 GLU H H 83 7.120 7.120 7.751 -0.631 25195 1720 1 3 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.914 0.296 25195 1721 1 3 . 1 1 84 84 ALA C C 84 180.900 180.900 179.361 1.539 25195 1722 1 3 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.844 -0.145 25195 1723 1 3 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.849 -1.049 25195 1724 1 3 . 1 1 85 85 ARG N N 85 115.800 115.800 118.700 -2.900 25195 1725 1 3 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.984 0.076 25195 1726 1 3 . 1 1 85 85 ARG C C 85 178.200 178.200 178.128 0.072 25195 1727 1 3 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.830 -1.930 25195 1728 1 3 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.446 0.454 25195 1729 1 3 . 1 1 85 85 ARG H H 85 9.280 9.280 8.155 1.125 25195 1730 1 3 . 1 1 86 86 TYR N N 86 118.300 118.300 120.531 -2.231 25195 1731 1 3 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.113 -0.273 25195 1732 1 3 . 1 1 86 86 TYR C C 86 176.500 176.500 177.179 -0.679 25195 1733 1 3 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.532 -0.333 25195 1734 1 3 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.818 0.382 25195 1735 1 3 . 1 1 86 86 TYR H H 86 7.270 7.270 8.702 -1.432 25195 1736 1 3 . 1 1 87 87 ALA N N 87 120.500 120.500 119.709 0.791 25195 1737 1 3 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.552 0.788 25195 1738 1 3 . 1 1 87 87 ALA C C 87 181.900 181.900 180.300 1.600 25195 1739 1 3 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.016 0.384 25195 1740 1 3 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.924 0.476 25195 1741 1 3 . 1 1 87 87 ALA H H 87 7.110 7.110 7.677 -0.567 25195 1742 1 3 . 1 1 88 88 GLU N N 88 119.500 119.500 120.056 -0.556 25195 1743 1 3 . 1 1 88 88 GLU HA H 88 3.980 3.980 3.998 -0.018 25195 1744 1 3 . 1 1 88 88 GLU C C 88 178.800 178.800 178.497 0.303 25195 1745 1 3 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.862 0.438 25195 1746 1 3 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.532 0.968 25195 1747 1 3 . 1 1 88 88 GLU H H 88 8.240 8.240 8.172 0.068 25195 1748 1 3 . 1 1 89 89 LEU N N 89 115.100 115.100 117.189 -2.089 25195 1749 1 3 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.209 0.071 25195 1750 1 3 . 1 1 89 89 LEU C C 89 176.900 176.900 177.454 -0.554 25195 1751 1 3 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.546 -1.046 25195 1752 1 3 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.306 0.494 25195 1753 1 3 . 1 1 89 89 LEU H H 89 7.430 7.430 7.922 -0.492 25195 1754 1 3 . 1 1 90 90 GLY N N 90 108.200 108.200 105.967 2.233 25195 1755 1 3 . 1 1 90 90 GLY C C 90 176.900 176.900 175.820 1.080 25195 1756 1 3 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.581 1.419 25195 1757 1 3 . 1 1 90 90 GLY H H 90 7.690 7.690 7.723 -0.033 25195 1758 1 3 . 1 1 91 91 LEU N N 91 113.000 113.000 119.726 -6.726 25195 1759 1 3 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.028 -0.258 25195 1760 1 3 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.347 -1.647 25195 1761 1 3 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.181 -1.881 25195 1762 1 3 . 1 1 91 91 LEU H H 91 7.000 7.000 7.389 -0.389 25195 1763 1 3 . 1 1 92 92 ASP N N 92 117.000 117.000 113.798 3.202 25195 1764 1 3 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.460 -0.020 25195 1765 1 3 . 1 1 92 92 ASP C C 92 175.400 175.400 176.434 -1.034 25195 1766 1 3 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.765 0.035 25195 1767 1 3 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.150 0.550 25195 1768 1 3 . 1 1 92 92 ASP H H 92 8.510 8.510 7.764 0.746 25195 1769 1 3 . 1 1 93 93 ASP N N 93 120.600 120.600 121.588 -0.988 25195 1770 1 3 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.605 -0.025 25195 1771 1 3 . 1 1 93 93 ASP C C 93 176.000 176.000 176.892 -0.892 25195 1772 1 3 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.780 -1.680 25195 1773 1 3 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.884 0.616 25195 1774 1 3 . 1 1 93 93 ASP H H 93 7.000 7.000 7.704 -0.704 25195 1775 1 3 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.282 0.018 25195 1776 1 3 . 1 1 94 94 PRO C C 94 178.100 178.100 177.346 0.754 25195 1777 1 3 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.114 -0.314 25195 1778 1 3 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.933 0.267 25195 1779 1 3 . 1 1 95 95 ALA N N 95 121.900 121.900 119.580 2.320 25195 1780 1 3 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.269 0.001 25195 1781 1 3 . 1 1 95 95 ALA C C 95 178.400 178.400 177.578 0.822 25195 1782 1 3 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.321 0.179 25195 1783 1 3 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.581 0.619 25195 1784 1 3 . 1 1 95 95 ALA H H 95 8.610 8.610 8.031 0.579 25195 1785 1 3 . 1 1 96 96 LEU N N 96 117.600 117.600 119.759 -2.159 25195 1786 1 3 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.352 -0.182 25195 1787 1 3 . 1 1 96 96 LEU C C 96 177.600 177.600 176.856 0.744 25195 1788 1 3 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.319 0.181 25195 1789 1 3 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.626 -0.226 25195 1790 1 3 . 1 1 96 96 LEU H H 96 7.010 7.010 7.431 -0.421 25195 1791 1 3 . 1 1 97 97 SER N N 97 119.200 119.200 112.245 6.955 25195 1792 1 3 . 1 1 97 97 SER HA H 97 4.360 4.360 4.735 -0.375 25195 1793 1 3 . 1 1 97 97 SER C C 97 174.400 174.400 174.483 -0.083 25195 1794 1 3 . 1 1 97 97 SER CA C 97 57.300 57.300 57.291 0.009 25195 1795 1 3 . 1 1 97 97 SER CB C 97 64.900 64.900 66.019 -1.119 25195 1796 1 3 . 1 1 97 97 SER H H 97 8.620 8.620 8.118 0.502 25195 1797 1 3 . 1 1 98 98 ASP N N 98 122.000 122.000 122.029 -0.029 25195 1798 1 3 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.376 -0.106 25195 1799 1 3 . 1 1 98 98 ASP C C 98 178.100 178.100 177.915 0.185 25195 1800 1 3 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.579 0.221 25195 1801 1 3 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.704 -0.604 25195 1802 1 3 . 1 1 98 98 ASP H H 98 9.050 9.050 8.828 0.222 25195 1803 1 3 . 1 1 99 99 GLU N N 99 116.100 116.100 120.099 -3.999 25195 1804 1 3 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.043 -0.253 25195 1805 1 3 . 1 1 99 99 GLU C C 99 176.800 176.800 178.658 -1.858 25195 1806 1 3 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.502 0.398 25195 1807 1 3 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.136 0.064 25195 1808 1 3 . 1 1 99 99 GLU H H 99 8.250 8.250 8.868 -0.618 25195 1809 1 3 . 1 1 100 100 VAL N N 100 118.000 118.000 116.475 1.525 25195 1810 1 3 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.839 -0.029 25195 1811 1 3 . 1 1 100 100 VAL C C 100 179.200 179.200 178.004 1.196 25195 1812 1 3 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.379 0.221 25195 1813 1 3 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.575 -0.175 25195 1814 1 3 . 1 1 100 100 VAL H H 100 7.290 7.290 7.641 -0.351 25195 1815 1 3 . 1 1 101 101 LEU N N 101 120.100 120.100 120.738 -0.638 25195 1816 1 3 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.037 -0.087 25195 1817 1 3 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.940 0.160 25195 1818 1 3 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.840 0.660 25195 1819 1 3 . 1 1 101 101 LEU H H 101 7.610 7.610 7.882 -0.272 25195 1820 1 3 . 1 1 102 102 ILE N N 102 118.900 118.900 119.897 -0.997 25195 1821 1 3 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.544 -0.124 25195 1822 1 3 . 1 1 102 102 ILE C C 102 177.700 177.700 177.845 -0.145 25195 1823 1 3 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.162 0.238 25195 1824 1 3 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.597 0.903 25195 1825 1 3 . 1 1 102 102 ILE H H 102 8.260 8.260 8.575 -0.315 25195 1826 1 3 . 1 1 103 103 ASP N N 103 118.000 118.000 120.002 -2.002 25195 1827 1 3 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.269 0.051 25195 1828 1 3 . 1 1 103 103 ASP C C 103 179.400 179.400 178.545 0.855 25195 1829 1 3 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.399 0.401 25195 1830 1 3 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.591 -0.491 25195 1831 1 3 . 1 1 103 103 ASP H H 103 8.080 8.080 8.080 -0.000 25195 1832 1 3 . 1 1 104 104 ALA N N 104 121.500 121.500 121.662 -0.162 25195 1833 1 3 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.150 -0.080 25195 1834 1 3 . 1 1 104 104 ALA C C 104 179.900 179.900 179.636 0.264 25195 1835 1 3 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.806 0.594 25195 1836 1 3 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.498 -0.798 25195 1837 1 3 . 1 1 104 104 ALA H H 104 8.210 8.210 7.909 0.301 25195 1838 1 3 . 1 1 105 105 MET N N 105 115.800 115.800 119.265 -3.465 25195 1839 1 3 . 1 1 105 105 MET HA H 105 3.940 3.940 4.126 -0.186 25195 1840 1 3 . 1 1 105 105 MET C C 105 176.700 176.700 178.501 -1.801 25195 1841 1 3 . 1 1 105 105 MET CA C 105 59.500 59.500 59.051 0.449 25195 1842 1 3 . 1 1 105 105 MET CB C 105 35.400 35.400 33.008 2.392 25195 1843 1 3 . 1 1 105 105 MET H H 105 7.520 7.520 7.758 -0.238 25195 1844 1 3 . 1 1 106 106 ILE N N 106 118.100 118.100 115.960 2.140 25195 1845 1 3 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.881 0.139 25195 1846 1 3 . 1 1 106 106 ILE C C 106 178.200 178.200 177.655 0.545 25195 1847 1 3 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.304 -1.304 25195 1848 1 3 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.298 0.402 25195 1849 1 3 . 1 1 106 106 ILE H H 106 7.730 7.730 8.623 -0.893 25195 1850 1 3 . 1 1 107 107 SER N N 107 112.400 112.400 114.165 -1.765 25195 1851 1 3 . 1 1 107 107 SER HA H 107 4.340 4.340 4.449 -0.109 25195 1852 1 3 . 1 1 107 107 SER C C 107 174.800 174.800 174.851 -0.051 25195 1853 1 3 . 1 1 107 107 SER CA C 107 60.400 60.400 59.055 1.345 25195 1854 1 3 . 1 1 107 107 SER CB C 107 64.000 64.000 64.617 -0.617 25195 1855 1 3 . 1 1 107 107 SER H H 107 8.160 8.160 7.682 0.478 25195 1856 1 3 . 1 1 108 108 ASN N N 108 116.400 116.400 120.719 -4.319 25195 1857 1 3 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.878 0.412 25195 1858 1 3 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.314 -1.214 25195 1859 1 3 . 1 1 108 108 ASN CB C 108 40.200 40.200 39.009 1.191 25195 1860 1 3 . 1 1 108 108 ASN H H 108 7.700 7.700 7.904 -0.204 25195 1861 1 3 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.353 0.417 25195 1862 1 3 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.016 0.784 25195 1863 1 3 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.738 0.462 25195 1864 1 3 . 1 1 110 110 VAL N N 110 119.100 119.100 117.061 2.039 25195 1865 1 3 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.853 0.197 25195 1866 1 3 . 1 1 110 110 VAL C C 110 175.200 175.200 176.420 -1.220 25195 1867 1 3 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.820 0.780 25195 1868 1 3 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.370 -0.170 25195 1869 1 3 . 1 1 110 110 VAL H H 110 8.280 8.280 7.976 0.304 25195 1870 1 3 . 1 1 111 111 LEU N N 111 115.200 115.200 113.081 2.119 25195 1871 1 3 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.652 -0.252 25195 1872 1 3 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.708 2.492 25195 1873 1 3 . 1 1 111 111 LEU H H 111 8.420 8.420 7.287 1.133 25195 1874 1 3 . 1 1 112 112 MET N N 112 118.900 118.900 118.453 0.447 25195 1875 1 3 . 1 1 112 112 MET HA H 112 4.060 4.060 4.196 -0.136 25195 1876 1 3 . 1 1 112 112 MET CA C 112 56.500 56.500 56.492 0.008 25195 1877 1 3 . 1 1 112 112 MET CB C 112 35.600 35.600 31.644 3.956 25195 1878 1 3 . 1 1 112 112 MET H H 112 7.940 7.940 7.716 0.224 25195 1879 1 3 . 1 1 113 113 ASN N N 113 125.800 125.800 120.639 5.161 25195 1880 1 3 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.754 -0.114 25195 1881 1 3 . 1 1 113 113 ASN C C 113 170.700 170.700 176.338 -5.638 25195 1882 1 3 . 1 1 113 113 ASN CA C 113 52.200 52.200 52.748 -0.548 25195 1883 1 3 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.880 -1.980 25195 1884 1 3 . 1 1 113 113 ASN H H 113 9.140 9.140 8.230 0.910 25195 1885 1 3 . 1 1 114 114 ARG N N 114 113.200 113.200 120.321 -7.121 25195 1886 1 3 . 1 1 114 114 ARG CA C 114 53.800 53.800 59.093 -5.293 25195 1887 1 3 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.277 1.523 25195 1888 1 3 . 1 1 114 114 ARG H H 114 7.970 7.970 8.298 -0.328 25195 1889 1 3 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.643 0.177 25195 1890 1 3 . 1 1 115 115 PRO C C 115 175.400 175.400 175.937 -0.537 25195 1891 1 3 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.867 -0.267 25195 1892 1 3 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.131 2.269 25195 1893 1 3 . 1 1 116 116 VAL N N 116 124.500 124.500 127.095 -2.595 25195 1894 1 3 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.371 0.709 25195 1895 1 3 . 1 1 116 116 VAL C C 116 174.500 174.500 173.867 0.633 25195 1896 1 3 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.474 1.026 25195 1897 1 3 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.883 -2.883 25195 1898 1 3 . 1 1 116 116 VAL H H 116 7.840 7.840 8.943 -1.103 25195 1899 1 3 . 1 1 117 117 VAL N N 117 128.000 128.000 127.253 0.747 25195 1900 1 3 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.330 0.450 25195 1901 1 3 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.542 1.458 25195 1902 1 3 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.166 0.634 25195 1903 1 3 . 1 1 117 117 VAL H H 117 8.670 8.670 9.089 -0.419 25195 1904 1 3 . 1 1 118 118 VAL N N 118 125.700 125.700 129.571 -3.871 25195 1905 1 3 . 1 1 118 118 VAL C C 118 175.700 175.700 174.393 1.307 25195 1906 1 3 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.569 -0.369 25195 1907 1 3 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.959 2.042 25195 1908 1 3 . 1 1 118 118 VAL H H 118 9.110 9.110 8.964 0.146 25195 1909 1 3 . 1 1 119 119 THR N N 119 118.500 118.500 118.652 -0.152 25195 1910 1 3 . 1 1 119 119 THR HA H 119 5.490 5.490 4.945 0.545 25195 1911 1 3 . 1 1 119 119 THR CA C 119 58.800 58.800 58.624 0.176 25195 1912 1 3 . 1 1 119 119 THR CB C 119 69.800 69.800 70.670 -0.870 25195 1913 1 3 . 1 1 119 119 THR H H 119 9.370 9.370 8.740 0.630 25195 1914 1 3 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.471 0.009 25195 1915 1 3 . 1 1 120 120 PRO C C 120 177.800 177.800 176.902 0.898 25195 1916 1 3 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.284 0.816 25195 1917 1 3 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.654 0.646 25195 1918 1 3 . 1 1 121 121 LYS N N 121 113.600 113.600 116.829 -3.229 25195 1919 1 3 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.465 -0.205 25195 1920 1 3 . 1 1 121 121 LYS C C 121 176.400 176.400 176.254 0.146 25195 1921 1 3 . 1 1 121 121 LYS CA C 121 57.200 57.200 56.033 1.167 25195 1922 1 3 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.582 0.218 25195 1923 1 3 . 1 1 121 121 LYS H H 121 8.360 8.360 8.097 0.263 25195 1924 1 3 . 1 1 122 122 GLY N N 122 108.400 108.400 107.104 1.296 25195 1925 1 3 . 1 1 122 122 GLY C C 122 169.500 169.500 172.370 -2.870 25195 1926 1 3 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.167 -0.068 25195 1927 1 3 . 1 1 122 122 GLY H H 122 7.900 7.900 7.526 0.374 25195 1928 1 3 . 1 1 123 123 VAL N N 123 117.100 117.100 119.831 -2.731 25195 1929 1 3 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.968 0.492 25195 1930 1 3 . 1 1 123 123 VAL C C 123 176.100 176.100 174.662 1.438 25195 1931 1 3 . 1 1 123 123 VAL CA C 123 60.000 60.000 61.218 -1.218 25195 1932 1 3 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.569 -0.769 25195 1933 1 3 . 1 1 123 123 VAL H H 123 8.080 8.080 8.474 -0.394 25195 1934 1 3 . 1 1 124 124 ARG N N 124 122.300 122.300 122.420 -0.120 25195 1935 1 3 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.555 0.105 25195 1936 1 3 . 1 1 124 124 ARG C C 124 174.800 174.800 173.655 1.145 25195 1937 1 3 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.022 0.378 25195 1938 1 3 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.909 0.991 25195 1939 1 3 . 1 1 124 124 ARG H H 124 8.510 8.510 8.504 0.006 25195 1940 1 3 . 1 1 125 125 LEU N N 125 125.500 125.500 122.402 3.098 25195 1941 1 3 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.266 0.334 25195 1942 1 3 . 1 1 125 125 LEU C C 125 176.500 176.500 178.420 -1.920 25195 1943 1 3 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.291 -1.591 25195 1944 1 3 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.418 -1.518 25195 1945 1 3 . 1 1 125 125 LEU H H 125 8.860 8.860 8.711 0.149 25195 1946 1 3 . 1 1 126 126 CYS N N 126 129.700 129.700 124.267 5.433 25195 1947 1 3 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.205 0.285 25195 1948 1 3 . 1 1 126 126 CYS C C 126 172.000 172.000 174.180 -2.180 25195 1949 1 3 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.519 0.381 25195 1950 1 3 . 1 1 126 126 CYS CB C 126 27.300 27.300 26.972 0.328 25195 1951 1 3 . 1 1 126 126 CYS H H 126 8.540 8.540 8.813 -0.273 25195 1952 1 3 . 1 1 127 127 ARG N N 127 117.500 117.500 119.216 -1.716 25195 1953 1 3 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.665 -0.475 25195 1954 1 3 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.514 -0.314 25195 1955 1 3 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.588 1.812 25195 1956 1 3 . 1 1 127 127 ARG H H 127 6.930 6.930 7.122 -0.192 25195 1957 1 3 . 1 1 128 128 PRO C C 128 177.100 177.100 176.939 0.161 25195 1958 1 3 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.553 0.647 25195 1959 1 3 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.887 2.413 25195 1960 1 3 . 1 1 129 129 ALA N N 129 124.000 124.000 120.796 3.204 25195 1961 1 3 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.043 -0.193 25195 1962 1 3 . 1 1 129 129 ALA C C 129 177.700 177.700 180.034 -2.334 25195 1963 1 3 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.986 0.214 25195 1964 1 3 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.457 1.442 25195 1965 1 3 . 1 1 129 129 ALA H H 129 9.320 9.320 8.551 0.769 25195 1966 1 3 . 1 1 130 130 GLU N N 130 111.600 111.600 117.157 -5.557 25195 1967 1 3 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.034 -0.194 25195 1968 1 3 . 1 1 130 130 GLU C C 130 178.200 178.200 178.492 -0.292 25195 1969 1 3 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.267 1.232 25195 1970 1 3 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.428 -1.328 25195 1971 1 3 . 1 1 130 130 GLU H H 130 9.490 9.490 8.773 0.717 25195 1972 1 3 . 1 1 131 131 THR N N 131 116.100 116.100 113.779 2.321 25195 1973 1 3 . 1 1 131 131 THR HA H 131 4.040 4.040 4.097 -0.057 25195 1974 1 3 . 1 1 131 131 THR C C 131 175.800 175.800 176.214 -0.414 25195 1975 1 3 . 1 1 131 131 THR CA C 131 65.600 65.600 65.511 0.089 25195 1976 1 3 . 1 1 131 131 THR CB C 131 69.800 69.800 68.497 1.303 25195 1977 1 3 . 1 1 131 131 THR H H 131 7.940 7.940 7.792 0.148 25195 1978 1 3 . 1 1 132 132 VAL N N 132 119.200 119.200 122.216 -3.016 25195 1979 1 3 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.624 0.256 25195 1980 1 3 . 1 1 132 132 VAL C C 132 176.500 176.500 177.244 -0.744 25195 1981 1 3 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.845 -1.745 25195 1982 1 3 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.505 0.895 25195 1983 1 3 . 1 1 132 132 VAL H H 132 8.130 8.130 7.663 0.467 25195 1984 1 3 . 1 1 133 133 GLN N N 133 118.500 118.500 118.253 0.247 25195 1985 1 3 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.086 -0.236 25195 1986 1 3 . 1 1 133 133 GLN C C 133 178.500 178.500 177.561 0.939 25195 1987 1 3 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.433 0.367 25195 1988 1 3 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.272 -0.272 25195 1989 1 3 . 1 1 133 133 GLN H H 133 7.690 7.690 8.158 -0.468 25195 1990 1 3 . 1 1 134 134 GLU N N 134 115.200 115.200 119.401 -4.201 25195 1991 1 3 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.178 -0.038 25195 1992 1 3 . 1 1 134 134 GLU C C 134 177.000 177.000 178.072 -1.072 25195 1993 1 3 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.731 0.069 25195 1994 1 3 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.017 -0.117 25195 1995 1 3 . 1 1 134 134 GLU H H 134 7.620 7.620 7.761 -0.141 25195 1996 1 3 . 1 1 135 135 LEU N N 135 115.600 115.600 119.996 -4.396 25195 1997 1 3 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.226 -0.006 25195 1998 1 3 . 1 1 135 135 LEU C C 135 176.100 176.100 177.056 -0.956 25195 1999 1 3 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.575 -2.775 25195 2000 1 3 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.995 0.305 25195 2001 1 3 . 1 1 135 135 LEU H H 135 7.740 7.740 7.658 0.082 25195 2002 1 4 . 1 1 9 9 MET C C 9 176.700 176.700 177.008 -0.308 25195 2003 1 4 . 1 1 9 9 MET CA C 9 55.600 55.600 54.400 1.200 25195 2004 1 4 . 1 1 9 9 MET CB C 9 32.700 32.700 33.614 -0.914 25195 2005 1 4 . 1 1 10 10 GLY N N 10 109.800 109.800 112.795 -2.995 25195 2006 1 4 . 1 1 10 10 GLY C C 10 174.400 174.400 175.166 -0.766 25195 2007 1 4 . 1 1 10 10 GLY CA C 10 45.300 45.300 46.284 -0.984 25195 2008 1 4 . 1 1 10 10 GLY H H 10 8.480 8.480 8.623 -0.143 25195 2009 1 4 . 1 1 11 11 THR N N 11 113.500 113.500 112.919 0.581 25195 2010 1 4 . 1 1 11 11 THR HA H 11 4.330 4.330 4.398 -0.068 25195 2011 1 4 . 1 1 11 11 THR CA C 11 62.100 62.100 61.673 0.427 25195 2012 1 4 . 1 1 11 11 THR CB C 11 69.900 69.900 70.566 -0.666 25195 2013 1 4 . 1 1 11 11 THR H H 11 8.080 8.080 7.731 0.349 25195 2014 1 4 . 1 1 12 12 LEU N N 12 123.900 123.900 124.211 -0.311 25195 2015 1 4 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.617 -0.307 25195 2016 1 4 . 1 1 12 12 LEU C C 12 177.700 177.700 176.878 0.822 25195 2017 1 4 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.959 0.841 25195 2018 1 4 . 1 1 12 12 LEU CB C 12 42.200 42.200 43.801 -1.601 25195 2019 1 4 . 1 1 12 12 LEU H H 12 8.390 8.390 8.320 0.070 25195 2020 1 4 . 1 1 13 13 GLU N N 13 121.300 121.300 124.532 -3.232 25195 2021 1 4 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.449 -0.249 25195 2022 1 4 . 1 1 13 13 GLU C C 13 176.500 176.500 175.214 1.286 25195 2023 1 4 . 1 1 13 13 GLU CA C 13 57.100 57.100 56.088 1.012 25195 2024 1 4 . 1 1 13 13 GLU CB C 13 29.900 29.900 28.914 0.986 25195 2025 1 4 . 1 1 13 13 GLU H H 13 8.430 8.430 8.742 -0.312 25195 2026 1 4 . 1 1 14 14 ALA N N 14 124.100 124.100 123.685 0.415 25195 2027 1 4 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.553 -0.283 25195 2028 1 4 . 1 1 14 14 ALA C C 14 177.900 177.900 177.248 0.652 25195 2029 1 4 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.375 1.425 25195 2030 1 4 . 1 1 14 14 ALA CB C 14 19.200 19.200 19.759 -0.559 25195 2031 1 4 . 1 1 14 14 ALA H H 14 8.270 8.270 7.680 0.590 25195 2032 1 4 . 1 1 15 15 GLN N N 15 118.900 118.900 123.997 -5.097 25195 2033 1 4 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.243 -0.003 25195 2034 1 4 . 1 1 15 15 GLN C C 15 176.500 176.500 175.638 0.862 25195 2035 1 4 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.688 0.112 25195 2036 1 4 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.072 0.328 25195 2037 1 4 . 1 1 15 15 GLN H H 15 8.360 8.360 8.382 -0.022 25195 2038 1 4 . 1 1 16 16 THR N N 16 114.900 114.900 117.703 -2.803 25195 2039 1 4 . 1 1 16 16 THR HA H 16 4.360 4.360 4.163 0.197 25195 2040 1 4 . 1 1 16 16 THR C C 16 174.600 174.600 174.363 0.237 25195 2041 1 4 . 1 1 16 16 THR CA C 16 61.900 61.900 62.869 -0.969 25195 2042 1 4 . 1 1 16 16 THR CB C 16 69.800 69.800 68.841 0.959 25195 2043 1 4 . 1 1 16 16 THR H H 16 8.190 8.190 8.363 -0.173 25195 2044 1 4 . 1 1 17 17 GLN N N 17 122.100 122.100 127.245 -5.145 25195 2045 1 4 . 1 1 17 17 GLN C C 17 176.100 176.100 174.428 1.672 25195 2046 1 4 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.594 0.106 25195 2047 1 4 . 1 1 17 17 GLN CB C 17 29.700 29.700 31.381 -1.681 25195 2048 1 4 . 1 1 17 17 GLN H H 17 8.440 8.440 8.491 -0.051 25195 2049 1 4 . 1 1 18 18 GLY N N 18 110.100 110.100 111.039 -0.939 25195 2050 1 4 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.417 0.283 25195 2051 1 4 . 1 1 18 18 GLY H H 18 8.370 8.370 8.043 0.327 25195 2052 1 4 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.622 -0.182 25195 2053 1 4 . 1 1 19 19 PRO C C 19 177.700 177.700 176.874 0.826 25195 2054 1 4 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.755 0.945 25195 2055 1 4 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.498 -0.097 25195 2056 1 4 . 1 1 20 20 GLY N N 20 109.200 109.200 105.612 3.588 25195 2057 1 4 . 1 1 20 20 GLY C C 20 174.400 174.400 174.126 0.274 25195 2058 1 4 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.897 0.503 25195 2059 1 4 . 1 1 20 20 GLY H H 20 8.620 8.620 8.016 0.604 25195 2060 1 4 . 1 1 21 21 SER N N 21 115.000 115.000 113.047 1.953 25195 2061 1 4 . 1 1 21 21 SER HA H 21 4.420 4.420 4.138 0.282 25195 2062 1 4 . 1 1 21 21 SER C C 21 174.600 174.600 174.054 0.546 25195 2063 1 4 . 1 1 21 21 SER CA C 21 58.600 58.600 58.369 0.231 25195 2064 1 4 . 1 1 21 21 SER CB C 21 64.100 64.100 63.162 0.938 25195 2065 1 4 . 1 1 21 21 SER H H 21 8.180 8.180 8.275 -0.095 25195 2066 1 4 . 1 1 22 22 MET N N 22 121.500 121.500 120.442 1.058 25195 2067 1 4 . 1 1 22 22 MET HA H 22 4.440 4.440 4.226 0.214 25195 2068 1 4 . 1 1 22 22 MET C C 22 175.100 175.100 175.758 -0.658 25195 2069 1 4 . 1 1 22 22 MET CA C 22 55.600 55.600 56.134 -0.534 25195 2070 1 4 . 1 1 22 22 MET CB C 22 33.600 33.600 31.599 2.001 25195 2071 1 4 . 1 1 22 22 MET H H 22 8.340 8.340 7.919 0.421 25195 2072 1 4 . 1 1 23 23 ASP N N 23 123.000 123.000 125.712 -2.712 25195 2073 1 4 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.805 -0.195 25195 2074 1 4 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.232 1.568 25195 2075 1 4 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.332 0.368 25195 2076 1 4 . 1 1 23 23 ASP H H 23 8.170 8.170 8.421 -0.251 25195 2077 1 4 . 1 1 24 24 VAL N N 24 123.200 123.200 120.388 2.812 25195 2078 1 4 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.632 0.408 25195 2079 1 4 . 1 1 24 24 VAL C C 24 174.900 174.900 174.864 0.036 25195 2080 1 4 . 1 1 24 24 VAL CA C 24 60.900 60.900 61.096 -0.196 25195 2081 1 4 . 1 1 24 24 VAL CB C 24 35.100 35.100 35.219 -0.119 25195 2082 1 4 . 1 1 24 24 VAL H H 24 8.210 8.210 8.004 0.206 25195 2083 1 4 . 1 1 25 25 THR N N 25 124.200 124.200 122.165 2.035 25195 2084 1 4 . 1 1 25 25 THR HA H 25 5.310 5.310 5.007 0.303 25195 2085 1 4 . 1 1 25 25 THR C C 25 172.300 172.300 172.956 -0.656 25195 2086 1 4 . 1 1 25 25 THR CA C 25 61.800 61.800 61.114 0.686 25195 2087 1 4 . 1 1 25 25 THR CB C 25 71.600 71.600 70.975 0.625 25195 2088 1 4 . 1 1 25 25 THR H H 25 9.170 9.170 8.781 0.389 25195 2089 1 4 . 1 1 26 26 ILE N N 26 122.500 122.500 123.041 -0.541 25195 2090 1 4 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.446 0.824 25195 2091 1 4 . 1 1 26 26 ILE C C 26 172.200 172.200 174.177 -1.977 25195 2092 1 4 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.298 -0.598 25195 2093 1 4 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.276 2.025 25195 2094 1 4 . 1 1 26 26 ILE H H 26 8.910 8.910 8.877 0.033 25195 2095 1 4 . 1 1 27 27 TYR N N 27 129.400 129.400 122.798 6.602 25195 2096 1 4 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.755 -0.575 25195 2097 1 4 . 1 1 27 27 TYR CA C 27 58.500 58.500 55.110 3.390 25195 2098 1 4 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.360 -2.260 25195 2099 1 4 . 1 1 27 27 TYR H H 27 9.090 9.090 8.854 0.236 25195 2100 1 4 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.481 4.219 25195 2101 1 4 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.103 0.747 25195 2102 1 4 . 1 1 30 30 PRO C C 30 177.000 177.000 175.655 1.345 25195 2103 1 4 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.978 1.222 25195 2104 1 4 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.130 2.570 25195 2105 1 4 . 1 1 31 31 VAL N N 31 112.100 112.100 123.126 -11.026 25195 2106 1 4 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.163 -0.003 25195 2107 1 4 . 1 1 31 31 VAL C C 31 175.000 175.000 175.813 -0.813 25195 2108 1 4 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.988 1.012 25195 2109 1 4 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.347 -1.847 25195 2110 1 4 . 1 1 31 31 VAL H H 31 7.290 7.290 8.257 -0.967 25195 2111 1 4 . 1 1 32 32 CYS N N 32 126.100 126.100 125.859 0.241 25195 2112 1 4 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.291 0.069 25195 2113 1 4 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.651 -2.351 25195 2114 1 4 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.975 3.225 25195 2115 1 4 . 1 1 32 32 CYS H H 32 7.780 7.780 9.115 -1.335 25195 2116 1 4 . 1 1 33 33 GLY C C 33 177.400 177.400 175.981 1.419 25195 2117 1 4 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.778 0.922 25195 2118 1 4 . 1 1 34 34 THR N N 34 123.700 123.700 116.187 7.513 25195 2119 1 4 . 1 1 34 34 THR HA H 34 4.250 4.250 4.040 0.210 25195 2120 1 4 . 1 1 34 34 THR C C 34 175.600 175.600 176.257 -0.657 25195 2121 1 4 . 1 1 34 34 THR CA C 34 67.600 67.600 66.050 1.550 25195 2122 1 4 . 1 1 34 34 THR CB C 34 68.700 68.700 69.141 -0.441 25195 2123 1 4 . 1 1 34 34 THR H H 34 9.110 9.110 8.188 0.922 25195 2124 1 4 . 1 1 35 35 SER N N 35 123.600 123.600 117.415 6.185 25195 2125 1 4 . 1 1 35 35 SER C C 35 177.900 177.900 176.413 1.487 25195 2126 1 4 . 1 1 35 35 SER CA C 35 63.800 63.800 61.854 1.946 25195 2127 1 4 . 1 1 35 35 SER CB C 35 63.800 63.800 63.080 0.720 25195 2128 1 4 . 1 1 35 35 SER H H 35 9.530 9.530 8.390 1.140 25195 2129 1 4 . 1 1 36 36 ARG N N 36 113.400 113.400 121.519 -8.119 25195 2130 1 4 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.099 -0.099 25195 2131 1 4 . 1 1 36 36 ARG C C 36 179.200 179.200 178.031 1.169 25195 2132 1 4 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.348 2.952 25195 2133 1 4 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.515 1.785 25195 2134 1 4 . 1 1 36 36 ARG H H 36 8.740 8.740 8.271 0.469 25195 2135 1 4 . 1 1 37 37 LYS N N 37 121.900 121.900 119.850 2.050 25195 2136 1 4 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.059 0.081 25195 2137 1 4 . 1 1 37 37 LYS C C 37 179.400 179.400 178.967 0.433 25195 2138 1 4 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.199 0.501 25195 2139 1 4 . 1 1 37 37 LYS CB C 37 32.600 32.600 31.709 0.891 25195 2140 1 4 . 1 1 37 37 LYS H H 37 7.980 7.980 7.812 0.168 25195 2141 1 4 . 1 1 38 38 VAL N N 38 120.900 120.900 119.603 1.297 25195 2142 1 4 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.668 -0.048 25195 2143 1 4 . 1 1 38 38 VAL C C 38 177.300 177.300 177.989 -0.689 25195 2144 1 4 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.576 0.724 25195 2145 1 4 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.401 0.499 25195 2146 1 4 . 1 1 38 38 VAL H H 38 8.670 8.670 8.043 0.627 25195 2147 1 4 . 1 1 39 39 LEU N N 39 120.200 120.200 119.393 0.807 25195 2148 1 4 . 1 1 39 39 LEU C C 39 178.300 178.300 179.294 -0.994 25195 2149 1 4 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.774 0.826 25195 2150 1 4 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.097 0.503 25195 2151 1 4 . 1 1 39 39 LEU H H 39 8.300 8.300 8.198 0.102 25195 2152 1 4 . 1 1 40 40 GLY N N 40 103.600 103.600 108.332 -4.732 25195 2153 1 4 . 1 1 40 40 GLY C C 40 176.600 176.600 176.397 0.203 25195 2154 1 4 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.183 0.217 25195 2155 1 4 . 1 1 40 40 GLY H H 40 8.050 8.050 8.379 -0.329 25195 2156 1 4 . 1 1 41 41 MET N N 41 122.300 122.300 121.267 1.033 25195 2157 1 4 . 1 1 41 41 MET HA H 41 4.030 4.030 4.233 -0.203 25195 2158 1 4 . 1 1 41 41 MET C C 41 179.200 179.200 178.895 0.305 25195 2159 1 4 . 1 1 41 41 MET CA C 41 59.900 59.900 57.693 2.207 25195 2160 1 4 . 1 1 41 41 MET CB C 41 33.600 33.600 32.058 1.542 25195 2161 1 4 . 1 1 41 41 MET H H 41 8.310 8.310 8.014 0.296 25195 2162 1 4 . 1 1 42 42 ILE N N 42 120.600 120.600 119.602 0.998 25195 2163 1 4 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.677 -0.137 25195 2164 1 4 . 1 1 42 42 ILE C C 42 177.600 177.600 177.699 -0.099 25195 2165 1 4 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.736 0.464 25195 2166 1 4 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.534 1.566 25195 2167 1 4 . 1 1 42 42 ILE H H 42 8.260 8.260 8.300 -0.040 25195 2168 1 4 . 1 1 43 43 ARG N N 43 117.200 117.200 120.191 -2.991 25195 2169 1 4 . 1 1 43 43 ARG C C 43 182.100 182.100 178.395 3.705 25195 2170 1 4 . 1 1 43 43 ARG CA C 43 59.100 59.100 58.994 0.106 25195 2171 1 4 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.119 -0.719 25195 2172 1 4 . 1 1 43 43 ARG H H 43 7.810 7.810 8.480 -0.670 25195 2173 1 4 . 1 1 44 44 GLU N N 44 122.200 122.200 119.225 2.975 25195 2174 1 4 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.216 -0.166 25195 2175 1 4 . 1 1 44 44 GLU C C 44 177.600 177.600 177.813 -0.213 25195 2176 1 4 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.313 0.787 25195 2177 1 4 . 1 1 44 44 GLU CB C 44 29.500 29.500 28.938 0.562 25195 2178 1 4 . 1 1 44 44 GLU H H 44 8.670 8.670 8.208 0.462 25195 2179 1 4 . 1 1 45 45 ALA N N 45 120.400 120.400 121.033 -0.633 25195 2180 1 4 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.150 0.270 25195 2181 1 4 . 1 1 45 45 ALA C C 45 177.300 177.300 178.078 -0.778 25195 2182 1 4 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.659 -0.159 25195 2183 1 4 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.616 -1.216 25195 2184 1 4 . 1 1 45 45 ALA H H 45 7.430 7.430 7.524 -0.094 25195 2185 1 4 . 1 1 46 46 GLY N N 46 106.000 106.000 106.303 -0.303 25195 2186 1 4 . 1 1 46 46 GLY C C 46 173.800 173.800 173.828 -0.028 25195 2187 1 4 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.656 0.644 25195 2188 1 4 . 1 1 46 46 GLY H H 46 8.080 8.080 7.721 0.359 25195 2189 1 4 . 1 1 47 47 ILE N N 47 121.500 121.500 119.422 2.078 25195 2190 1 4 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.529 -0.429 25195 2191 1 4 . 1 1 47 47 ILE C C 47 174.100 174.100 174.005 0.095 25195 2192 1 4 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.674 1.026 25195 2193 1 4 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.832 0.268 25195 2194 1 4 . 1 1 47 47 ILE H H 47 7.180 7.180 7.740 -0.560 25195 2195 1 4 . 1 1 48 48 GLU N N 48 127.000 127.000 124.555 2.445 25195 2196 1 4 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.726 0.474 25195 2197 1 4 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.218 -0.918 25195 2198 1 4 . 1 1 48 48 GLU CB C 48 29.400 29.400 31.289 -1.889 25195 2199 1 4 . 1 1 48 48 GLU H H 48 8.440 8.440 8.732 -0.292 25195 2200 1 4 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.711 -0.071 25195 2201 1 4 . 1 1 49 49 PRO C C 49 175.200 175.200 176.391 -1.191 25195 2202 1 4 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.461 -0.561 25195 2203 1 4 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.876 -0.176 25195 2204 1 4 . 1 1 50 50 HIS N N 50 119.000 119.000 118.426 0.574 25195 2205 1 4 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.826 -0.126 25195 2206 1 4 . 1 1 50 50 HIS C C 50 174.200 174.200 174.811 -0.611 25195 2207 1 4 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.807 0.593 25195 2208 1 4 . 1 1 50 50 HIS CB C 50 29.100 29.100 32.231 -3.131 25195 2209 1 4 . 1 1 50 50 HIS H H 50 9.160 9.160 8.404 0.756 25195 2210 1 4 . 1 1 51 51 VAL N N 51 128.400 128.400 124.037 4.363 25195 2211 1 4 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.375 -0.135 25195 2212 1 4 . 1 1 51 51 VAL C C 51 175.600 175.600 174.611 0.989 25195 2213 1 4 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.635 -0.435 25195 2214 1 4 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.733 0.467 25195 2215 1 4 . 1 1 51 51 VAL H H 51 8.760 8.760 8.822 -0.062 25195 2216 1 4 . 1 1 52 52 ILE N N 52 129.400 129.400 127.376 2.024 25195 2217 1 4 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.573 -0.353 25195 2218 1 4 . 1 1 52 52 ILE C C 52 176.500 176.500 174.645 1.855 25195 2219 1 4 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.384 -0.084 25195 2220 1 4 . 1 1 52 52 ILE CB C 52 38.200 38.200 41.583 -3.383 25195 2221 1 4 . 1 1 52 52 ILE H H 52 9.000 9.000 8.699 0.301 25195 2222 1 4 . 1 1 53 53 GLU N N 53 129.900 129.900 126.507 3.393 25195 2223 1 4 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.443 0.687 25195 2224 1 4 . 1 1 53 53 GLU C C 53 174.200 174.200 175.171 -0.971 25195 2225 1 4 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.055 -0.155 25195 2226 1 4 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.056 -0.756 25195 2227 1 4 . 1 1 53 53 GLU H H 53 9.180 9.180 8.594 0.586 25195 2228 1 4 . 1 1 54 54 TYR N N 54 124.200 124.200 125.685 -1.485 25195 2229 1 4 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.587 0.613 25195 2230 1 4 . 1 1 54 54 TYR C C 54 174.200 174.200 174.233 -0.033 25195 2231 1 4 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.870 -3.770 25195 2232 1 4 . 1 1 54 54 TYR CB C 54 38.000 38.000 39.895 -1.895 25195 2233 1 4 . 1 1 54 54 TYR H H 54 8.460 8.460 8.346 0.114 25195 2234 1 4 . 1 1 55 55 MET N N 55 121.900 121.900 123.011 -1.111 25195 2235 1 4 . 1 1 55 55 MET H H 55 7.660 7.660 8.390 -0.730 25195 2236 1 4 . 1 1 56 56 LYS C C 56 176.700 176.700 175.203 1.497 25195 2237 1 4 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.613 0.287 25195 2238 1 4 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.589 -4.389 25195 2239 1 4 . 1 1 57 57 THR N N 57 114.700 114.700 116.315 -1.615 25195 2240 1 4 . 1 1 57 57 THR HA H 57 4.720 4.720 4.281 0.439 25195 2241 1 4 . 1 1 57 57 THR CB C 57 70.500 70.500 67.842 2.658 25195 2242 1 4 . 1 1 57 57 THR H H 57 7.940 7.940 8.207 -0.267 25195 2243 1 4 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.533 0.167 25195 2244 1 4 . 1 1 58 58 PRO C C 58 177.400 177.400 175.713 1.687 25195 2245 1 4 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.503 0.297 25195 2246 1 4 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.487 0.113 25195 2247 1 4 . 1 1 59 59 LEU N N 59 125.300 125.300 121.141 4.159 25195 2248 1 4 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.744 -0.164 25195 2249 1 4 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.097 1.203 25195 2250 1 4 . 1 1 59 59 LEU H H 59 8.760 8.760 8.208 0.552 25195 2251 1 4 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.670 -0.160 25195 2252 1 4 . 1 1 60 60 PRO C C 60 178.400 178.400 177.769 0.631 25195 2253 1 4 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.197 -0.097 25195 2254 1 4 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.472 -0.172 25195 2255 1 4 . 1 1 61 61 ARG N N 61 125.800 125.800 120.394 5.406 25195 2256 1 4 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.842 -0.142 25195 2257 1 4 . 1 1 61 61 ARG C C 61 177.800 177.800 177.789 0.011 25195 2258 1 4 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.864 0.936 25195 2259 1 4 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.379 1.021 25195 2260 1 4 . 1 1 61 61 ARG H H 61 8.980 8.980 8.748 0.232 25195 2261 1 4 . 1 1 62 62 ASP N N 62 113.300 113.300 120.387 -7.087 25195 2262 1 4 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.394 -0.154 25195 2263 1 4 . 1 1 62 62 ASP C C 62 179.100 179.100 178.534 0.566 25195 2264 1 4 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.014 -0.014 25195 2265 1 4 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.365 -0.665 25195 2266 1 4 . 1 1 62 62 ASP H H 62 8.820 8.820 8.405 0.415 25195 2267 1 4 . 1 1 63 63 MET N N 63 118.800 118.800 117.666 1.134 25195 2268 1 4 . 1 1 63 63 MET HA H 63 4.460 4.460 4.141 0.319 25195 2269 1 4 . 1 1 63 63 MET C C 63 177.700 177.700 178.589 -0.889 25195 2270 1 4 . 1 1 63 63 MET CA C 63 57.200 57.200 58.245 -1.045 25195 2271 1 4 . 1 1 63 63 MET CB C 63 32.500 32.500 31.783 0.717 25195 2272 1 4 . 1 1 63 63 MET H H 63 7.340 7.340 8.132 -0.792 25195 2273 1 4 . 1 1 64 64 LEU N N 64 121.000 121.000 120.173 0.827 25195 2274 1 4 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.086 -0.126 25195 2275 1 4 . 1 1 64 64 LEU C C 64 178.000 178.000 178.811 -0.811 25195 2276 1 4 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.182 0.118 25195 2277 1 4 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.501 -0.101 25195 2278 1 4 . 1 1 64 64 LEU H H 64 7.570 7.570 7.966 -0.396 25195 2279 1 4 . 1 1 65 65 VAL N N 65 117.200 117.200 119.966 -2.766 25195 2280 1 4 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.533 -0.103 25195 2281 1 4 . 1 1 65 65 VAL C C 65 178.500 178.500 177.902 0.598 25195 2282 1 4 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.599 0.001 25195 2283 1 4 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.420 0.580 25195 2284 1 4 . 1 1 65 65 VAL H H 65 8.250 8.250 8.090 0.160 25195 2285 1 4 . 1 1 66 66 GLU N N 66 120.200 120.200 120.035 0.165 25195 2286 1 4 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.061 0.279 25195 2287 1 4 . 1 1 66 66 GLU C C 66 178.500 178.500 179.192 -0.692 25195 2288 1 4 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.393 -0.693 25195 2289 1 4 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.820 -0.620 25195 2290 1 4 . 1 1 66 66 GLU H H 66 7.510 7.510 7.900 -0.390 25195 2291 1 4 . 1 1 67 67 LEU N N 67 121.100 121.100 120.842 0.258 25195 2292 1 4 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.115 -0.125 25195 2293 1 4 . 1 1 67 67 LEU C C 67 179.400 179.400 178.412 0.988 25195 2294 1 4 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.157 0.243 25195 2295 1 4 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.160 -0.360 25195 2296 1 4 . 1 1 67 67 LEU H H 67 8.480 8.480 7.972 0.508 25195 2297 1 4 . 1 1 68 68 LEU N N 68 118.500 118.500 118.153 0.347 25195 2298 1 4 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.111 -0.331 25195 2299 1 4 . 1 1 68 68 LEU C C 68 179.100 179.100 178.454 0.646 25195 2300 1 4 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.192 0.508 25195 2301 1 4 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.253 0.147 25195 2302 1 4 . 1 1 68 68 LEU H H 68 8.250 8.250 8.341 -0.091 25195 2303 1 4 . 1 1 69 69 ARG N N 69 119.200 119.200 118.218 0.982 25195 2304 1 4 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.318 -0.268 25195 2305 1 4 . 1 1 69 69 ARG C C 69 180.400 180.400 178.272 2.128 25195 2306 1 4 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.336 1.164 25195 2307 1 4 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.872 0.228 25195 2308 1 4 . 1 1 69 69 ARG H H 69 7.950 7.950 8.185 -0.235 25195 2309 1 4 . 1 1 70 70 GLN N N 70 118.500 118.500 117.567 0.933 25195 2310 1 4 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.127 -0.097 25195 2311 1 4 . 1 1 70 70 GLN C C 70 179.900 179.900 178.127 1.773 25195 2312 1 4 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.702 1.198 25195 2313 1 4 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.672 0.728 25195 2314 1 4 . 1 1 70 70 GLN H H 70 8.450 8.450 7.742 0.708 25195 2315 1 4 . 1 1 71 71 MET N N 71 117.500 117.500 117.836 -0.336 25195 2316 1 4 . 1 1 71 71 MET HA H 71 4.140 4.140 4.123 0.017 25195 2317 1 4 . 1 1 71 71 MET C C 71 175.200 175.200 176.963 -1.763 25195 2318 1 4 . 1 1 71 71 MET CA C 71 58.200 58.200 58.141 0.059 25195 2319 1 4 . 1 1 71 71 MET CB C 71 36.200 36.200 33.113 3.087 25195 2320 1 4 . 1 1 71 71 MET H H 71 8.380 8.380 7.874 0.506 25195 2321 1 4 . 1 1 72 72 ALA N N 72 120.400 120.400 117.403 2.997 25195 2322 1 4 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.456 -0.426 25195 2323 1 4 . 1 1 72 72 ALA C C 72 176.600 176.600 176.897 -0.297 25195 2324 1 4 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.284 0.516 25195 2325 1 4 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.244 -4.744 25195 2326 1 4 . 1 1 72 72 ALA H H 72 8.100 8.100 7.638 0.462 25195 2327 1 4 . 1 1 73 73 ILE N N 73 108.600 108.600 115.464 -6.864 25195 2328 1 4 . 1 1 73 73 ILE C C 73 174.700 174.700 174.517 0.183 25195 2329 1 4 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.754 0.146 25195 2330 1 4 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.258 2.341 25195 2331 1 4 . 1 1 73 73 ILE H H 73 7.240 7.240 7.954 -0.714 25195 2332 1 4 . 1 1 74 74 SER N N 74 116.500 116.500 117.892 -1.392 25195 2333 1 4 . 1 1 74 74 SER HA H 74 4.780 4.780 4.507 0.273 25195 2334 1 4 . 1 1 74 74 SER CA C 74 55.900 55.900 59.214 -3.314 25195 2335 1 4 . 1 1 74 74 SER CB C 74 63.500 63.500 63.208 0.292 25195 2336 1 4 . 1 1 74 74 SER H H 74 8.290 8.290 8.585 -0.295 25195 2337 1 4 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.350 0.410 25195 2338 1 4 . 1 1 75 75 PRO C C 75 178.200 178.200 177.847 0.353 25195 2339 1 4 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.365 1.235 25195 2340 1 4 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.814 0.286 25195 2341 1 4 . 1 1 76 76 ARG N N 76 114.400 114.400 118.224 -3.824 25195 2342 1 4 . 1 1 76 76 ARG C C 76 178.100 178.100 175.796 2.304 25195 2343 1 4 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.707 1.293 25195 2344 1 4 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.433 -0.033 25195 2345 1 4 . 1 1 76 76 ARG H H 76 8.340 8.340 8.509 -0.169 25195 2346 1 4 . 1 1 77 77 ALA N N 77 119.400 119.400 119.493 -0.093 25195 2347 1 4 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.510 -0.280 25195 2348 1 4 . 1 1 77 77 ALA C C 77 178.100 178.100 176.426 1.674 25195 2349 1 4 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.074 2.726 25195 2350 1 4 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.874 -0.274 25195 2351 1 4 . 1 1 77 77 ALA H H 77 7.720 7.720 7.513 0.207 25195 2352 1 4 . 1 1 78 78 LEU N N 78 119.400 119.400 119.867 -0.467 25195 2353 1 4 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.372 0.008 25195 2354 1 4 . 1 1 78 78 LEU C C 78 174.800 174.800 176.792 -1.992 25195 2355 1 4 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.118 -2.218 25195 2356 1 4 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.722 0.378 25195 2357 1 4 . 1 1 78 78 LEU H H 78 7.610 7.610 7.297 0.313 25195 2358 1 4 . 1 1 79 79 LEU N N 79 118.700 118.700 121.083 -2.383 25195 2359 1 4 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.948 0.702 25195 2360 1 4 . 1 1 79 79 LEU C C 79 178.900 178.900 176.767 2.133 25195 2361 1 4 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.953 0.147 25195 2362 1 4 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.085 5.515 25195 2363 1 4 . 1 1 79 79 LEU H H 79 7.220 7.220 7.821 -0.601 25195 2364 1 4 . 1 1 80 80 ARG N N 80 124.000 124.000 124.080 -0.080 25195 2365 1 4 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.042 0.178 25195 2366 1 4 . 1 1 80 80 ARG C C 80 174.800 174.800 176.937 -2.137 25195 2367 1 4 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.457 -0.257 25195 2368 1 4 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.540 0.160 25195 2369 1 4 . 1 1 80 80 ARG H H 80 8.780 8.780 8.003 0.777 25195 2370 1 4 . 1 1 81 81 ALA N N 81 124.400 124.400 122.300 2.100 25195 2371 1 4 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.242 -1.752 25195 2372 1 4 . 1 1 81 81 ALA C C 81 177.600 177.600 178.245 -0.645 25195 2373 1 4 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.831 -2.131 25195 2374 1 4 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.022 -0.422 25195 2375 1 4 . 1 1 81 81 ALA H H 81 7.420 7.420 8.684 -1.264 25195 2376 1 4 . 1 1 82 82 LYS N N 82 114.500 114.500 119.137 -4.637 25195 2377 1 4 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.015 0.235 25195 2378 1 4 . 1 1 82 82 LYS C C 82 177.700 177.700 178.596 -0.896 25195 2379 1 4 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.801 -3.002 25195 2380 1 4 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.299 -0.899 25195 2381 1 4 . 1 1 82 82 LYS H H 82 8.190 8.190 7.929 0.261 25195 2382 1 4 . 1 1 83 83 GLU N N 83 118.700 118.700 119.348 -0.648 25195 2383 1 4 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.362 -0.162 25195 2384 1 4 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.008 0.792 25195 2385 1 4 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.280 2.020 25195 2386 1 4 . 1 1 83 83 GLU H H 83 7.120 7.120 8.268 -1.148 25195 2387 1 4 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.905 0.305 25195 2388 1 4 . 1 1 84 84 ALA C C 84 180.900 180.900 179.066 1.834 25195 2389 1 4 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.773 -0.073 25195 2390 1 4 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.740 -0.940 25195 2391 1 4 . 1 1 85 85 ARG N N 85 115.800 115.800 118.715 -2.915 25195 2392 1 4 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.969 0.091 25195 2393 1 4 . 1 1 85 85 ARG C C 85 178.200 178.200 178.324 -0.124 25195 2394 1 4 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.911 -2.011 25195 2395 1 4 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.584 0.316 25195 2396 1 4 . 1 1 85 85 ARG H H 85 9.280 9.280 8.198 1.082 25195 2397 1 4 . 1 1 86 86 TYR N N 86 118.300 118.300 120.352 -2.052 25195 2398 1 4 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.074 -0.234 25195 2399 1 4 . 1 1 86 86 TYR C C 86 176.500 176.500 176.606 -0.106 25195 2400 1 4 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.588 -0.388 25195 2401 1 4 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.638 0.562 25195 2402 1 4 . 1 1 86 86 TYR H H 86 7.270 7.270 8.696 -1.426 25195 2403 1 4 . 1 1 87 87 ALA N N 87 120.500 120.500 119.746 0.754 25195 2404 1 4 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.598 0.742 25195 2405 1 4 . 1 1 87 87 ALA C C 87 181.900 181.900 180.295 1.605 25195 2406 1 4 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.933 0.467 25195 2407 1 4 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.922 0.478 25195 2408 1 4 . 1 1 87 87 ALA H H 87 7.110 7.110 7.657 -0.547 25195 2409 1 4 . 1 1 88 88 GLU N N 88 119.500 119.500 120.073 -0.573 25195 2410 1 4 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.017 -0.037 25195 2411 1 4 . 1 1 88 88 GLU C C 88 178.800 178.800 178.484 0.316 25195 2412 1 4 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.716 0.584 25195 2413 1 4 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.464 1.036 25195 2414 1 4 . 1 1 88 88 GLU H H 88 8.240 8.240 8.104 0.136 25195 2415 1 4 . 1 1 89 89 LEU N N 89 115.100 115.100 117.237 -2.137 25195 2416 1 4 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.212 0.068 25195 2417 1 4 . 1 1 89 89 LEU C C 89 176.900 176.900 177.444 -0.544 25195 2418 1 4 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.529 -1.029 25195 2419 1 4 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.306 0.494 25195 2420 1 4 . 1 1 89 89 LEU H H 89 7.430 7.430 7.919 -0.489 25195 2421 1 4 . 1 1 90 90 GLY N N 90 108.200 108.200 105.966 2.234 25195 2422 1 4 . 1 1 90 90 GLY C C 90 176.900 176.900 175.833 1.067 25195 2423 1 4 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.584 1.417 25195 2424 1 4 . 1 1 90 90 GLY H H 90 7.690 7.690 7.633 0.057 25195 2425 1 4 . 1 1 91 91 LEU N N 91 113.000 113.000 120.213 -7.213 25195 2426 1 4 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.035 -0.265 25195 2427 1 4 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.372 -1.672 25195 2428 1 4 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.160 -1.860 25195 2429 1 4 . 1 1 91 91 LEU H H 91 7.000 7.000 7.345 -0.345 25195 2430 1 4 . 1 1 92 92 ASP N N 92 117.000 117.000 113.602 3.398 25195 2431 1 4 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.462 -0.022 25195 2432 1 4 . 1 1 92 92 ASP C C 92 175.400 175.400 176.365 -0.965 25195 2433 1 4 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.847 -0.047 25195 2434 1 4 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.178 0.522 25195 2435 1 4 . 1 1 92 92 ASP H H 92 8.510 8.510 7.791 0.719 25195 2436 1 4 . 1 1 93 93 ASP N N 93 120.600 120.600 121.540 -0.940 25195 2437 1 4 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.610 -0.030 25195 2438 1 4 . 1 1 93 93 ASP C C 93 176.000 176.000 176.967 -0.967 25195 2439 1 4 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.488 -1.388 25195 2440 1 4 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.775 0.725 25195 2441 1 4 . 1 1 93 93 ASP H H 93 7.000 7.000 7.715 -0.715 25195 2442 1 4 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.314 -0.014 25195 2443 1 4 . 1 1 94 94 PRO C C 94 178.100 178.100 176.798 1.302 25195 2444 1 4 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.797 0.003 25195 2445 1 4 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.919 0.281 25195 2446 1 4 . 1 1 95 95 ALA N N 95 121.900 121.900 119.886 2.014 25195 2447 1 4 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.313 -0.043 25195 2448 1 4 . 1 1 95 95 ALA C C 95 178.400 178.400 177.446 0.954 25195 2449 1 4 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.319 0.181 25195 2450 1 4 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.687 0.513 25195 2451 1 4 . 1 1 95 95 ALA H H 95 8.610 8.610 8.035 0.575 25195 2452 1 4 . 1 1 96 96 LEU N N 96 117.600 117.600 119.941 -2.341 25195 2453 1 4 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.423 -0.253 25195 2454 1 4 . 1 1 96 96 LEU C C 96 177.600 177.600 176.709 0.891 25195 2455 1 4 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.178 0.322 25195 2456 1 4 . 1 1 96 96 LEU CB C 96 42.400 42.400 43.050 -0.649 25195 2457 1 4 . 1 1 96 96 LEU H H 96 7.010 7.010 7.540 -0.530 25195 2458 1 4 . 1 1 97 97 SER N N 97 119.200 119.200 113.278 5.922 25195 2459 1 4 . 1 1 97 97 SER HA H 97 4.360 4.360 4.782 -0.422 25195 2460 1 4 . 1 1 97 97 SER C C 97 174.400 174.400 174.436 -0.036 25195 2461 1 4 . 1 1 97 97 SER CA C 97 57.300 57.300 56.870 0.430 25195 2462 1 4 . 1 1 97 97 SER CB C 97 64.900 64.900 65.590 -0.690 25195 2463 1 4 . 1 1 97 97 SER H H 97 8.620 8.620 8.051 0.569 25195 2464 1 4 . 1 1 98 98 ASP N N 98 122.000 122.000 123.838 -1.838 25195 2465 1 4 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.366 -0.096 25195 2466 1 4 . 1 1 98 98 ASP C C 98 178.100 178.100 178.338 -0.238 25195 2467 1 4 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.500 0.300 25195 2468 1 4 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.733 -0.633 25195 2469 1 4 . 1 1 98 98 ASP H H 98 9.050 9.050 8.857 0.193 25195 2470 1 4 . 1 1 99 99 GLU N N 99 116.100 116.100 119.591 -3.491 25195 2471 1 4 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.051 -0.261 25195 2472 1 4 . 1 1 99 99 GLU C C 99 176.800 176.800 178.939 -2.139 25195 2473 1 4 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.536 0.364 25195 2474 1 4 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.282 -0.081 25195 2475 1 4 . 1 1 99 99 GLU H H 99 8.250 8.250 8.711 -0.462 25195 2476 1 4 . 1 1 100 100 VAL N N 100 118.000 118.000 117.968 0.032 25195 2477 1 4 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.850 -0.040 25195 2478 1 4 . 1 1 100 100 VAL C C 100 179.200 179.200 178.096 1.104 25195 2479 1 4 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.696 -0.096 25195 2480 1 4 . 1 1 100 100 VAL CB C 100 31.400 31.400 30.820 0.580 25195 2481 1 4 . 1 1 100 100 VAL H H 100 7.290 7.290 7.558 -0.268 25195 2482 1 4 . 1 1 101 101 LEU N N 101 120.100 120.100 121.129 -1.029 25195 2483 1 4 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.009 -0.059 25195 2484 1 4 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.088 0.012 25195 2485 1 4 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.697 0.803 25195 2486 1 4 . 1 1 101 101 LEU H H 101 7.610 7.610 7.844 -0.234 25195 2487 1 4 . 1 1 102 102 ILE N N 102 118.900 118.900 119.808 -0.908 25195 2488 1 4 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.539 -0.119 25195 2489 1 4 . 1 1 102 102 ILE C C 102 177.700 177.700 177.850 -0.150 25195 2490 1 4 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.179 0.221 25195 2491 1 4 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.621 0.879 25195 2492 1 4 . 1 1 102 102 ILE H H 102 8.260 8.260 8.569 -0.309 25195 2493 1 4 . 1 1 103 103 ASP N N 103 118.000 118.000 119.838 -1.838 25195 2494 1 4 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.269 0.051 25195 2495 1 4 . 1 1 103 103 ASP C C 103 179.400 179.400 178.437 0.963 25195 2496 1 4 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.459 0.341 25195 2497 1 4 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.645 -0.546 25195 2498 1 4 . 1 1 103 103 ASP H H 103 8.080 8.080 8.075 0.005 25195 2499 1 4 . 1 1 104 104 ALA N N 104 121.500 121.500 121.579 -0.079 25195 2500 1 4 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.098 -0.028 25195 2501 1 4 . 1 1 104 104 ALA C C 104 179.900 179.900 179.363 0.537 25195 2502 1 4 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.740 0.660 25195 2503 1 4 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.789 -1.089 25195 2504 1 4 . 1 1 104 104 ALA H H 104 8.210 8.210 7.820 0.390 25195 2505 1 4 . 1 1 105 105 MET N N 105 115.800 115.800 118.838 -3.038 25195 2506 1 4 . 1 1 105 105 MET HA H 105 3.940 3.940 4.108 -0.168 25195 2507 1 4 . 1 1 105 105 MET C C 105 176.700 176.700 178.227 -1.527 25195 2508 1 4 . 1 1 105 105 MET CA C 105 59.500 59.500 58.842 0.658 25195 2509 1 4 . 1 1 105 105 MET CB C 105 35.400 35.400 32.946 2.454 25195 2510 1 4 . 1 1 105 105 MET H H 105 7.520 7.520 7.722 -0.202 25195 2511 1 4 . 1 1 106 106 ILE N N 106 118.100 118.100 116.169 1.931 25195 2512 1 4 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.872 0.148 25195 2513 1 4 . 1 1 106 106 ILE C C 106 178.200 178.200 177.304 0.896 25195 2514 1 4 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.084 -1.083 25195 2515 1 4 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.992 -0.292 25195 2516 1 4 . 1 1 106 106 ILE H H 106 7.730 7.730 8.351 -0.621 25195 2517 1 4 . 1 1 107 107 SER N N 107 112.400 112.400 112.633 -0.233 25195 2518 1 4 . 1 1 107 107 SER HA H 107 4.340 4.340 4.414 -0.074 25195 2519 1 4 . 1 1 107 107 SER C C 107 174.800 174.800 175.112 -0.312 25195 2520 1 4 . 1 1 107 107 SER CA C 107 60.400 60.400 58.496 1.904 25195 2521 1 4 . 1 1 107 107 SER CB C 107 64.000 64.000 64.767 -0.767 25195 2522 1 4 . 1 1 107 107 SER H H 107 8.160 8.160 7.355 0.805 25195 2523 1 4 . 1 1 108 108 ASN N N 108 116.400 116.400 121.463 -5.063 25195 2524 1 4 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.089 0.201 25195 2525 1 4 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.347 -1.247 25195 2526 1 4 . 1 1 108 108 ASN CB C 108 40.200 40.200 39.320 0.880 25195 2527 1 4 . 1 1 108 108 ASN H H 108 7.700 7.700 7.882 -0.182 25195 2528 1 4 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.383 0.387 25195 2529 1 4 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.065 0.735 25195 2530 1 4 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.594 0.606 25195 2531 1 4 . 1 1 110 110 VAL N N 110 119.100 119.100 115.578 3.522 25195 2532 1 4 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.906 0.144 25195 2533 1 4 . 1 1 110 110 VAL C C 110 175.200 175.200 176.522 -1.322 25195 2534 1 4 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.660 0.940 25195 2535 1 4 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.317 0.884 25195 2536 1 4 . 1 1 110 110 VAL H H 110 8.280 8.280 7.870 0.410 25195 2537 1 4 . 1 1 111 111 LEU N N 111 115.200 115.200 115.313 -0.113 25195 2538 1 4 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.381 0.019 25195 2539 1 4 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.962 2.238 25195 2540 1 4 . 1 1 111 111 LEU H H 111 8.420 8.420 7.372 1.048 25195 2541 1 4 . 1 1 112 112 MET N N 112 118.900 118.900 118.826 0.074 25195 2542 1 4 . 1 1 112 112 MET HA H 112 4.060 4.060 4.209 -0.149 25195 2543 1 4 . 1 1 112 112 MET CA C 112 56.500 56.500 56.705 -0.205 25195 2544 1 4 . 1 1 112 112 MET CB C 112 35.600 35.600 31.477 4.123 25195 2545 1 4 . 1 1 112 112 MET H H 112 7.940 7.940 7.706 0.234 25195 2546 1 4 . 1 1 113 113 ASN N N 113 125.800 125.800 121.583 4.217 25195 2547 1 4 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.681 -0.041 25195 2548 1 4 . 1 1 113 113 ASN C C 113 170.700 170.700 175.728 -5.028 25195 2549 1 4 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.057 -0.857 25195 2550 1 4 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.694 -1.794 25195 2551 1 4 . 1 1 113 113 ASN H H 113 9.140 9.140 8.365 0.775 25195 2552 1 4 . 1 1 114 114 ARG N N 114 113.200 113.200 120.850 -7.650 25195 2553 1 4 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.522 -4.722 25195 2554 1 4 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.784 2.016 25195 2555 1 4 . 1 1 114 114 ARG H H 114 7.970 7.970 8.280 -0.310 25195 2556 1 4 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.285 0.535 25195 2557 1 4 . 1 1 115 115 PRO C C 115 175.400 175.400 175.890 -0.490 25195 2558 1 4 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.551 0.049 25195 2559 1 4 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.739 2.661 25195 2560 1 4 . 1 1 116 116 VAL N N 116 124.500 124.500 126.306 -1.806 25195 2561 1 4 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.315 0.765 25195 2562 1 4 . 1 1 116 116 VAL C C 116 174.500 174.500 173.884 0.616 25195 2563 1 4 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.399 1.101 25195 2564 1 4 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.310 -2.310 25195 2565 1 4 . 1 1 116 116 VAL H H 116 7.840 7.840 8.816 -0.976 25195 2566 1 4 . 1 1 117 117 VAL N N 117 128.000 128.000 128.623 -0.623 25195 2567 1 4 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.246 0.534 25195 2568 1 4 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.900 1.100 25195 2569 1 4 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.548 0.252 25195 2570 1 4 . 1 1 117 117 VAL H H 117 8.670 8.670 9.125 -0.455 25195 2571 1 4 . 1 1 118 118 VAL N N 118 125.700 125.700 129.343 -3.643 25195 2572 1 4 . 1 1 118 118 VAL C C 118 175.700 175.700 174.506 1.194 25195 2573 1 4 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.904 0.296 25195 2574 1 4 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.943 2.057 25195 2575 1 4 . 1 1 118 118 VAL H H 118 9.110 9.110 9.093 0.017 25195 2576 1 4 . 1 1 119 119 THR N N 119 118.500 118.500 118.238 0.262 25195 2577 1 4 . 1 1 119 119 THR HA H 119 5.490 5.490 4.996 0.494 25195 2578 1 4 . 1 1 119 119 THR CA C 119 58.800 58.800 58.590 0.210 25195 2579 1 4 . 1 1 119 119 THR CB C 119 69.800 69.800 71.201 -1.401 25195 2580 1 4 . 1 1 119 119 THR H H 119 9.370 9.370 8.725 0.645 25195 2581 1 4 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.527 -0.047 25195 2582 1 4 . 1 1 120 120 PRO C C 120 177.800 177.800 176.909 0.891 25195 2583 1 4 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.350 0.750 25195 2584 1 4 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.572 0.728 25195 2585 1 4 . 1 1 121 121 LYS N N 121 113.600 113.600 116.869 -3.269 25195 2586 1 4 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.467 -0.207 25195 2587 1 4 . 1 1 121 121 LYS C C 121 176.400 176.400 176.256 0.144 25195 2588 1 4 . 1 1 121 121 LYS CA C 121 57.200 57.200 56.024 1.176 25195 2589 1 4 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.567 0.233 25195 2590 1 4 . 1 1 121 121 LYS H H 121 8.360 8.360 8.064 0.296 25195 2591 1 4 . 1 1 122 122 GLY N N 122 108.400 108.400 107.803 0.597 25195 2592 1 4 . 1 1 122 122 GLY C C 122 169.500 169.500 171.554 -2.054 25195 2593 1 4 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.842 0.258 25195 2594 1 4 . 1 1 122 122 GLY H H 122 7.900 7.900 7.544 0.356 25195 2595 1 4 . 1 1 123 123 VAL N N 123 117.100 117.100 120.219 -3.119 25195 2596 1 4 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.001 0.459 25195 2597 1 4 . 1 1 123 123 VAL C C 123 176.100 176.100 174.492 1.608 25195 2598 1 4 . 1 1 123 123 VAL CA C 123 60.000 60.000 59.564 0.436 25195 2599 1 4 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.918 -0.118 25195 2600 1 4 . 1 1 123 123 VAL H H 123 8.080 8.080 8.405 -0.325 25195 2601 1 4 . 1 1 124 124 ARG N N 124 122.300 122.300 125.373 -3.073 25195 2602 1 4 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.554 0.106 25195 2603 1 4 . 1 1 124 124 ARG C C 124 174.800 174.800 173.969 0.831 25195 2604 1 4 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.004 0.396 25195 2605 1 4 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.673 1.227 25195 2606 1 4 . 1 1 124 124 ARG H H 124 8.510 8.510 8.823 -0.313 25195 2607 1 4 . 1 1 125 125 LEU N N 125 125.500 125.500 121.426 4.074 25195 2608 1 4 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.405 0.195 25195 2609 1 4 . 1 1 125 125 LEU C C 125 176.500 176.500 178.337 -1.837 25195 2610 1 4 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.176 -0.476 25195 2611 1 4 . 1 1 125 125 LEU CB C 125 40.900 40.900 40.704 0.196 25195 2612 1 4 . 1 1 125 125 LEU H H 125 8.860 8.860 8.676 0.184 25195 2613 1 4 . 1 1 126 126 CYS N N 126 129.700 129.700 122.628 7.072 25195 2614 1 4 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.134 0.356 25195 2615 1 4 . 1 1 126 126 CYS C C 126 172.000 172.000 174.328 -2.328 25195 2616 1 4 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.953 -0.053 25195 2617 1 4 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.490 -0.190 25195 2618 1 4 . 1 1 126 126 CYS H H 126 8.540 8.540 8.542 -0.002 25195 2619 1 4 . 1 1 127 127 ARG N N 127 117.500 117.500 119.221 -1.721 25195 2620 1 4 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.709 -0.519 25195 2621 1 4 . 1 1 127 127 ARG CA C 127 53.200 53.200 52.563 0.637 25195 2622 1 4 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.451 1.948 25195 2623 1 4 . 1 1 127 127 ARG H H 127 6.930 6.930 7.100 -0.170 25195 2624 1 4 . 1 1 128 128 PRO C C 128 177.100 177.100 177.058 0.042 25195 2625 1 4 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.469 0.731 25195 2626 1 4 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.587 2.713 25195 2627 1 4 . 1 1 129 129 ALA N N 129 124.000 124.000 120.614 3.386 25195 2628 1 4 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.065 -0.215 25195 2629 1 4 . 1 1 129 129 ALA C C 129 177.700 177.700 180.120 -2.420 25195 2630 1 4 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.972 0.228 25195 2631 1 4 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.465 1.435 25195 2632 1 4 . 1 1 129 129 ALA H H 129 9.320 9.320 8.545 0.775 25195 2633 1 4 . 1 1 130 130 GLU N N 130 111.600 111.600 117.338 -5.738 25195 2634 1 4 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.109 -0.269 25195 2635 1 4 . 1 1 130 130 GLU C C 130 178.200 178.200 178.814 -0.614 25195 2636 1 4 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.659 0.841 25195 2637 1 4 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.358 -1.258 25195 2638 1 4 . 1 1 130 130 GLU H H 130 9.490 9.490 8.851 0.639 25195 2639 1 4 . 1 1 131 131 THR N N 131 116.100 116.100 113.612 2.488 25195 2640 1 4 . 1 1 131 131 THR HA H 131 4.040 4.040 4.098 -0.058 25195 2641 1 4 . 1 1 131 131 THR C C 131 175.800 175.800 176.266 -0.466 25195 2642 1 4 . 1 1 131 131 THR CA C 131 65.600 65.600 65.558 0.042 25195 2643 1 4 . 1 1 131 131 THR CB C 131 69.800 69.800 68.494 1.306 25195 2644 1 4 . 1 1 131 131 THR H H 131 7.940 7.940 7.764 0.176 25195 2645 1 4 . 1 1 132 132 VAL N N 132 119.200 119.200 122.254 -3.054 25195 2646 1 4 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.619 0.261 25195 2647 1 4 . 1 1 132 132 VAL C C 132 176.500 176.500 177.113 -0.613 25195 2648 1 4 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.923 -1.823 25195 2649 1 4 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.543 0.857 25195 2650 1 4 . 1 1 132 132 VAL H H 132 8.130 8.130 7.615 0.515 25195 2651 1 4 . 1 1 133 133 GLN N N 133 118.500 118.500 117.951 0.549 25195 2652 1 4 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.101 -0.251 25195 2653 1 4 . 1 1 133 133 GLN C C 133 178.500 178.500 177.503 0.997 25195 2654 1 4 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.242 0.558 25195 2655 1 4 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.329 -0.329 25195 2656 1 4 . 1 1 133 133 GLN H H 133 7.690 7.690 8.135 -0.445 25195 2657 1 4 . 1 1 134 134 GLU N N 134 115.200 115.200 119.554 -4.354 25195 2658 1 4 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.210 -0.070 25195 2659 1 4 . 1 1 134 134 GLU C C 134 177.000 177.000 178.072 -1.072 25195 2660 1 4 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.963 -0.163 25195 2661 1 4 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.087 -0.187 25195 2662 1 4 . 1 1 134 134 GLU H H 134 7.620 7.620 7.708 -0.088 25195 2663 1 4 . 1 1 135 135 LEU N N 135 115.600 115.600 119.973 -4.373 25195 2664 1 4 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.211 0.009 25195 2665 1 4 . 1 1 135 135 LEU C C 135 176.100 176.100 176.922 -0.822 25195 2666 1 4 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.782 -2.982 25195 2667 1 4 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.824 0.476 25195 2668 1 4 . 1 1 135 135 LEU H H 135 7.740 7.740 7.786 -0.046 25195 2669 1 5 . 1 1 9 9 MET C C 9 176.700 176.700 174.222 2.478 25195 2670 1 5 . 1 1 9 9 MET CA C 9 55.600 55.600 54.564 1.036 25195 2671 1 5 . 1 1 9 9 MET CB C 9 32.700 32.700 36.241 -3.541 25195 2672 1 5 . 1 1 10 10 GLY N N 10 109.800 109.800 108.460 1.340 25195 2673 1 5 . 1 1 10 10 GLY C C 10 174.400 174.400 172.504 1.896 25195 2674 1 5 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.735 0.565 25195 2675 1 5 . 1 1 10 10 GLY H H 10 8.480 8.480 9.163 -0.683 25195 2676 1 5 . 1 1 11 11 THR N N 11 113.500 113.500 112.903 0.597 25195 2677 1 5 . 1 1 11 11 THR HA H 11 4.330 4.330 4.723 -0.393 25195 2678 1 5 . 1 1 11 11 THR CA C 11 62.100 62.100 61.317 0.783 25195 2679 1 5 . 1 1 11 11 THR CB C 11 69.900 69.900 71.105 -1.205 25195 2680 1 5 . 1 1 11 11 THR H H 11 8.080 8.080 8.270 -0.190 25195 2681 1 5 . 1 1 12 12 LEU N N 12 123.900 123.900 121.910 1.990 25195 2682 1 5 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.621 -0.311 25195 2683 1 5 . 1 1 12 12 LEU C C 12 177.700 177.700 175.074 2.626 25195 2684 1 5 . 1 1 12 12 LEU CA C 12 55.800 55.800 56.038 -0.239 25195 2685 1 5 . 1 1 12 12 LEU CB C 12 42.200 42.200 43.976 -1.776 25195 2686 1 5 . 1 1 12 12 LEU H H 12 8.390 8.390 8.374 0.016 25195 2687 1 5 . 1 1 13 13 GLU N N 13 121.300 121.300 125.291 -3.991 25195 2688 1 5 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.476 -0.276 25195 2689 1 5 . 1 1 13 13 GLU C C 13 176.500 176.500 174.617 1.883 25195 2690 1 5 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.837 1.263 25195 2691 1 5 . 1 1 13 13 GLU CB C 13 29.900 29.900 30.795 -0.895 25195 2692 1 5 . 1 1 13 13 GLU H H 13 8.430 8.430 8.625 -0.195 25195 2693 1 5 . 1 1 14 14 ALA N N 14 124.100 124.100 124.179 -0.079 25195 2694 1 5 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.588 -0.318 25195 2695 1 5 . 1 1 14 14 ALA C C 14 177.900 177.900 176.944 0.956 25195 2696 1 5 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.646 1.154 25195 2697 1 5 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.139 -0.939 25195 2698 1 5 . 1 1 14 14 ALA H H 14 8.270 8.270 8.254 0.016 25195 2699 1 5 . 1 1 15 15 GLN N N 15 118.900 118.900 119.283 -0.383 25195 2700 1 5 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.531 -0.291 25195 2701 1 5 . 1 1 15 15 GLN C C 15 176.500 176.500 175.847 0.653 25195 2702 1 5 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.586 0.214 25195 2703 1 5 . 1 1 15 15 GLN CB C 15 29.400 29.400 31.274 -1.874 25195 2704 1 5 . 1 1 15 15 GLN H H 15 8.360 8.360 8.430 -0.070 25195 2705 1 5 . 1 1 16 16 THR N N 16 114.900 114.900 114.566 0.334 25195 2706 1 5 . 1 1 16 16 THR HA H 16 4.360 4.360 4.220 0.140 25195 2707 1 5 . 1 1 16 16 THR C C 16 174.600 174.600 175.706 -1.106 25195 2708 1 5 . 1 1 16 16 THR CA C 16 61.900 61.900 61.613 0.287 25195 2709 1 5 . 1 1 16 16 THR CB C 16 69.800 69.800 69.618 0.182 25195 2710 1 5 . 1 1 16 16 THR H H 16 8.190 8.190 8.359 -0.169 25195 2711 1 5 . 1 1 17 17 GLN N N 17 122.100 122.100 120.361 1.739 25195 2712 1 5 . 1 1 17 17 GLN C C 17 176.100 176.100 177.376 -1.276 25195 2713 1 5 . 1 1 17 17 GLN CA C 17 55.700 55.700 57.567 -1.867 25195 2714 1 5 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.188 1.512 25195 2715 1 5 . 1 1 17 17 GLN H H 17 8.440 8.440 8.556 -0.116 25195 2716 1 5 . 1 1 18 18 GLY N N 18 110.100 110.100 108.440 1.660 25195 2717 1 5 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.388 0.312 25195 2718 1 5 . 1 1 18 18 GLY H H 18 8.370 8.370 8.451 -0.081 25195 2719 1 5 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.435 0.005 25195 2720 1 5 . 1 1 19 19 PRO C C 19 177.700 177.700 176.743 0.957 25195 2721 1 5 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.417 1.283 25195 2722 1 5 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.279 0.121 25195 2723 1 5 . 1 1 20 20 GLY N N 20 109.200 109.200 107.556 1.644 25195 2724 1 5 . 1 1 20 20 GLY C C 20 174.400 174.400 174.496 -0.096 25195 2725 1 5 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.485 -0.085 25195 2726 1 5 . 1 1 20 20 GLY H H 20 8.620 8.620 8.424 0.196 25195 2727 1 5 . 1 1 21 21 SER N N 21 115.000 115.000 118.215 -3.215 25195 2728 1 5 . 1 1 21 21 SER HA H 21 4.420 4.420 4.663 -0.243 25195 2729 1 5 . 1 1 21 21 SER C C 21 174.600 174.600 173.953 0.647 25195 2730 1 5 . 1 1 21 21 SER CA C 21 58.600 58.600 57.673 0.927 25195 2731 1 5 . 1 1 21 21 SER CB C 21 64.100 64.100 63.591 0.509 25195 2732 1 5 . 1 1 21 21 SER H H 21 8.180 8.180 8.623 -0.443 25195 2733 1 5 . 1 1 22 22 MET N N 22 121.500 121.500 119.328 2.172 25195 2734 1 5 . 1 1 22 22 MET HA H 22 4.440 4.440 4.788 -0.348 25195 2735 1 5 . 1 1 22 22 MET C C 22 175.100 175.100 175.207 -0.107 25195 2736 1 5 . 1 1 22 22 MET CA C 22 55.600 55.600 55.080 0.520 25195 2737 1 5 . 1 1 22 22 MET CB C 22 33.600 33.600 31.576 2.024 25195 2738 1 5 . 1 1 22 22 MET H H 22 8.340 8.340 7.812 0.528 25195 2739 1 5 . 1 1 23 23 ASP N N 23 123.000 123.000 124.903 -1.903 25195 2740 1 5 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.924 -0.314 25195 2741 1 5 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.958 0.842 25195 2742 1 5 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.593 0.107 25195 2743 1 5 . 1 1 23 23 ASP H H 23 8.170 8.170 8.504 -0.334 25195 2744 1 5 . 1 1 24 24 VAL N N 24 123.200 123.200 114.981 8.219 25195 2745 1 5 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.842 0.198 25195 2746 1 5 . 1 1 24 24 VAL C C 24 174.900 174.900 174.098 0.802 25195 2747 1 5 . 1 1 24 24 VAL CA C 24 60.900 60.900 59.879 1.021 25195 2748 1 5 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.523 0.577 25195 2749 1 5 . 1 1 24 24 VAL H H 24 8.210 8.210 7.657 0.553 25195 2750 1 5 . 1 1 25 25 THR N N 25 124.200 124.200 121.356 2.844 25195 2751 1 5 . 1 1 25 25 THR HA H 25 5.310 5.310 4.970 0.340 25195 2752 1 5 . 1 1 25 25 THR C C 25 172.300 172.300 173.133 -0.833 25195 2753 1 5 . 1 1 25 25 THR CA C 25 61.800 61.800 61.605 0.195 25195 2754 1 5 . 1 1 25 25 THR CB C 25 71.600 71.600 71.326 0.274 25195 2755 1 5 . 1 1 25 25 THR H H 25 9.170 9.170 8.581 0.590 25195 2756 1 5 . 1 1 26 26 ILE N N 26 122.500 122.500 122.293 0.207 25195 2757 1 5 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.441 0.829 25195 2758 1 5 . 1 1 26 26 ILE C C 26 172.200 172.200 174.192 -1.992 25195 2759 1 5 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.206 -0.506 25195 2760 1 5 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.326 1.974 25195 2761 1 5 . 1 1 26 26 ILE H H 26 8.910 8.910 8.792 0.118 25195 2762 1 5 . 1 1 27 27 TYR N N 27 129.400 129.400 122.680 6.720 25195 2763 1 5 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.406 -0.226 25195 2764 1 5 . 1 1 27 27 TYR CA C 27 58.500 58.500 55.619 2.881 25195 2765 1 5 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.326 -2.226 25195 2766 1 5 . 1 1 27 27 TYR H H 27 9.090 9.090 8.829 0.261 25195 2767 1 5 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.479 3.221 25195 2768 1 5 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.234 0.616 25195 2769 1 5 . 1 1 30 30 PRO C C 30 177.000 177.000 175.558 1.442 25195 2770 1 5 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.995 1.205 25195 2771 1 5 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.250 2.450 25195 2772 1 5 . 1 1 31 31 VAL N N 31 112.100 112.100 123.845 -11.745 25195 2773 1 5 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.301 -0.141 25195 2774 1 5 . 1 1 31 31 VAL C C 31 175.000 175.000 175.775 -0.775 25195 2775 1 5 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.361 1.639 25195 2776 1 5 . 1 1 31 31 VAL CB C 31 31.500 31.500 32.546 -1.046 25195 2777 1 5 . 1 1 31 31 VAL H H 31 7.290 7.290 8.312 -1.022 25195 2778 1 5 . 1 1 32 32 CYS N N 32 126.100 126.100 123.181 2.919 25195 2779 1 5 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.174 0.186 25195 2780 1 5 . 1 1 32 32 CYS CA C 32 59.300 59.300 59.721 -0.421 25195 2781 1 5 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.641 2.559 25195 2782 1 5 . 1 1 32 32 CYS H H 32 7.780 7.780 8.968 -1.188 25195 2783 1 5 . 1 1 33 33 GLY C C 33 177.400 177.400 175.613 1.787 25195 2784 1 5 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.895 0.805 25195 2785 1 5 . 1 1 34 34 THR N N 34 123.700 123.700 116.740 6.960 25195 2786 1 5 . 1 1 34 34 THR HA H 34 4.250 4.250 3.975 0.275 25195 2787 1 5 . 1 1 34 34 THR C C 34 175.600 175.600 176.317 -0.717 25195 2788 1 5 . 1 1 34 34 THR CA C 34 67.600 67.600 66.501 1.099 25195 2789 1 5 . 1 1 34 34 THR CB C 34 68.700 68.700 68.859 -0.159 25195 2790 1 5 . 1 1 34 34 THR H H 34 9.110 9.110 7.984 1.126 25195 2791 1 5 . 1 1 35 35 SER N N 35 123.600 123.600 117.918 5.682 25195 2792 1 5 . 1 1 35 35 SER C C 35 177.900 177.900 176.823 1.077 25195 2793 1 5 . 1 1 35 35 SER CA C 35 63.800 63.800 62.077 1.723 25195 2794 1 5 . 1 1 35 35 SER CB C 35 63.800 63.800 63.151 0.649 25195 2795 1 5 . 1 1 35 35 SER H H 35 9.530 9.530 8.270 1.260 25195 2796 1 5 . 1 1 36 36 ARG N N 36 113.400 113.400 120.111 -6.711 25195 2797 1 5 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.130 -0.130 25195 2798 1 5 . 1 1 36 36 ARG C C 36 179.200 179.200 178.584 0.616 25195 2799 1 5 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.195 2.105 25195 2800 1 5 . 1 1 36 36 ARG CB C 36 31.300 31.300 30.148 1.152 25195 2801 1 5 . 1 1 36 36 ARG H H 36 8.740 8.740 8.218 0.522 25195 2802 1 5 . 1 1 37 37 LYS N N 37 121.900 121.900 120.945 0.955 25195 2803 1 5 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.116 0.024 25195 2804 1 5 . 1 1 37 37 LYS C C 37 179.400 179.400 178.681 0.719 25195 2805 1 5 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.497 0.203 25195 2806 1 5 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.283 0.317 25195 2807 1 5 . 1 1 37 37 LYS H H 37 7.980 7.980 7.757 0.223 25195 2808 1 5 . 1 1 38 38 VAL N N 38 120.900 120.900 120.902 -0.002 25195 2809 1 5 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.654 -0.034 25195 2810 1 5 . 1 1 38 38 VAL C C 38 177.300 177.300 177.474 -0.174 25195 2811 1 5 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.020 1.280 25195 2812 1 5 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.797 0.103 25195 2813 1 5 . 1 1 38 38 VAL H H 38 8.670 8.670 8.007 0.663 25195 2814 1 5 . 1 1 39 39 LEU N N 39 120.200 120.200 119.370 0.830 25195 2815 1 5 . 1 1 39 39 LEU C C 39 178.300 178.300 179.253 -0.953 25195 2816 1 5 . 1 1 39 39 LEU CA C 39 58.600 58.600 58.208 0.392 25195 2817 1 5 . 1 1 39 39 LEU CB C 39 41.600 41.600 40.488 1.112 25195 2818 1 5 . 1 1 39 39 LEU H H 39 8.300 8.300 8.294 0.006 25195 2819 1 5 . 1 1 40 40 GLY N N 40 103.600 103.600 107.125 -3.525 25195 2820 1 5 . 1 1 40 40 GLY C C 40 176.600 176.600 176.600 0.000 25195 2821 1 5 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.020 0.380 25195 2822 1 5 . 1 1 40 40 GLY H H 40 8.050 8.050 8.072 -0.022 25195 2823 1 5 . 1 1 41 41 MET N N 41 122.300 122.300 121.838 0.462 25195 2824 1 5 . 1 1 41 41 MET HA H 41 4.030 4.030 4.079 -0.049 25195 2825 1 5 . 1 1 41 41 MET C C 41 179.200 179.200 178.794 0.406 25195 2826 1 5 . 1 1 41 41 MET CA C 41 59.900 59.900 58.673 1.227 25195 2827 1 5 . 1 1 41 41 MET CB C 41 33.600 33.600 32.105 1.495 25195 2828 1 5 . 1 1 41 41 MET H H 41 8.310 8.310 7.978 0.332 25195 2829 1 5 . 1 1 42 42 ILE N N 42 120.600 120.600 119.293 1.307 25195 2830 1 5 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.562 -0.022 25195 2831 1 5 . 1 1 42 42 ILE C C 42 177.600 177.600 177.979 -0.379 25195 2832 1 5 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.124 1.076 25195 2833 1 5 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.310 1.790 25195 2834 1 5 . 1 1 42 42 ILE H H 42 8.260 8.260 8.194 0.066 25195 2835 1 5 . 1 1 43 43 ARG N N 43 117.200 117.200 119.195 -1.995 25195 2836 1 5 . 1 1 43 43 ARG C C 43 182.100 182.100 178.764 3.336 25195 2837 1 5 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.042 0.058 25195 2838 1 5 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.025 -0.625 25195 2839 1 5 . 1 1 43 43 ARG H H 43 7.810 7.810 8.146 -0.336 25195 2840 1 5 . 1 1 44 44 GLU N N 44 122.200 122.200 116.608 5.592 25195 2841 1 5 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.262 -0.212 25195 2842 1 5 . 1 1 44 44 GLU C C 44 177.600 177.600 177.289 0.311 25195 2843 1 5 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.058 1.042 25195 2844 1 5 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.697 -0.197 25195 2845 1 5 . 1 1 44 44 GLU H H 44 8.670 8.670 8.150 0.520 25195 2846 1 5 . 1 1 45 45 ALA N N 45 120.400 120.400 120.588 -0.188 25195 2847 1 5 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.166 0.254 25195 2848 1 5 . 1 1 45 45 ALA C C 45 177.300 177.300 177.831 -0.531 25195 2849 1 5 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.071 -0.571 25195 2850 1 5 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.659 -1.259 25195 2851 1 5 . 1 1 45 45 ALA H H 45 7.430 7.430 7.823 -0.393 25195 2852 1 5 . 1 1 46 46 GLY N N 46 106.000 106.000 105.290 0.710 25195 2853 1 5 . 1 1 46 46 GLY C C 46 173.800 173.800 172.915 0.885 25195 2854 1 5 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.688 0.612 25195 2855 1 5 . 1 1 46 46 GLY H H 46 8.080 8.080 7.730 0.350 25195 2856 1 5 . 1 1 47 47 ILE N N 47 121.500 121.500 118.959 2.541 25195 2857 1 5 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.306 -0.206 25195 2858 1 5 . 1 1 47 47 ILE C C 47 174.100 174.100 173.954 0.146 25195 2859 1 5 . 1 1 47 47 ILE CA C 47 59.700 59.700 60.750 -1.050 25195 2860 1 5 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.283 -1.183 25195 2861 1 5 . 1 1 47 47 ILE H H 47 7.180 7.180 7.566 -0.386 25195 2862 1 5 . 1 1 48 48 GLU N N 48 127.000 127.000 126.056 0.944 25195 2863 1 5 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.612 0.588 25195 2864 1 5 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.230 -0.930 25195 2865 1 5 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.491 -1.091 25195 2866 1 5 . 1 1 48 48 GLU H H 48 8.440 8.440 8.600 -0.160 25195 2867 1 5 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.626 0.014 25195 2868 1 5 . 1 1 49 49 PRO C C 49 175.200 175.200 176.098 -0.898 25195 2869 1 5 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.568 -0.668 25195 2870 1 5 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.722 -0.022 25195 2871 1 5 . 1 1 50 50 HIS N N 50 119.000 119.000 123.077 -4.077 25195 2872 1 5 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.759 -0.059 25195 2873 1 5 . 1 1 50 50 HIS C C 50 174.200 174.200 175.130 -0.930 25195 2874 1 5 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.938 0.462 25195 2875 1 5 . 1 1 50 50 HIS CB C 50 29.100 29.100 30.614 -1.514 25195 2876 1 5 . 1 1 50 50 HIS H H 50 9.160 9.160 8.455 0.705 25195 2877 1 5 . 1 1 51 51 VAL N N 51 128.400 128.400 123.283 5.117 25195 2878 1 5 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.658 -0.418 25195 2879 1 5 . 1 1 51 51 VAL C C 51 175.600 175.600 175.382 0.218 25195 2880 1 5 . 1 1 51 51 VAL CA C 51 62.200 62.200 61.616 0.584 25195 2881 1 5 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.743 0.457 25195 2882 1 5 . 1 1 51 51 VAL H H 51 8.760 8.760 8.728 0.032 25195 2883 1 5 . 1 1 52 52 ILE N N 52 129.400 129.400 129.151 0.249 25195 2884 1 5 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.454 -0.234 25195 2885 1 5 . 1 1 52 52 ILE C C 52 176.500 176.500 174.937 1.563 25195 2886 1 5 . 1 1 52 52 ILE CA C 52 60.300 60.300 61.035 -0.736 25195 2887 1 5 . 1 1 52 52 ILE CB C 52 38.200 38.200 39.579 -1.379 25195 2888 1 5 . 1 1 52 52 ILE H H 52 9.000 9.000 8.940 0.060 25195 2889 1 5 . 1 1 53 53 GLU N N 53 129.900 129.900 129.553 0.347 25195 2890 1 5 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.530 0.600 25195 2891 1 5 . 1 1 53 53 GLU C C 53 174.200 174.200 175.396 -1.196 25195 2892 1 5 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.944 -0.044 25195 2893 1 5 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.939 -1.639 25195 2894 1 5 . 1 1 53 53 GLU H H 53 9.180 9.180 8.801 0.379 25195 2895 1 5 . 1 1 54 54 TYR N N 54 124.200 124.200 125.144 -0.944 25195 2896 1 5 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.560 0.640 25195 2897 1 5 . 1 1 54 54 TYR C C 54 174.200 174.200 175.920 -1.720 25195 2898 1 5 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.175 -3.075 25195 2899 1 5 . 1 1 54 54 TYR CB C 54 38.000 38.000 39.994 -1.994 25195 2900 1 5 . 1 1 54 54 TYR H H 54 8.460 8.460 8.215 0.245 25195 2901 1 5 . 1 1 55 55 MET N N 55 121.900 121.900 120.960 0.940 25195 2902 1 5 . 1 1 55 55 MET H H 55 7.660 7.660 7.912 -0.252 25195 2903 1 5 . 1 1 56 56 LYS C C 56 176.700 176.700 175.924 0.776 25195 2904 1 5 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.641 0.260 25195 2905 1 5 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.272 -4.072 25195 2906 1 5 . 1 1 57 57 THR N N 57 114.700 114.700 117.908 -3.208 25195 2907 1 5 . 1 1 57 57 THR HA H 57 4.720 4.720 4.512 0.208 25195 2908 1 5 . 1 1 57 57 THR CB C 57 70.500 70.500 69.528 0.973 25195 2909 1 5 . 1 1 57 57 THR H H 57 7.940 7.940 8.426 -0.486 25195 2910 1 5 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.721 -0.021 25195 2911 1 5 . 1 1 58 58 PRO C C 58 177.400 177.400 175.762 1.638 25195 2912 1 5 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.734 0.066 25195 2913 1 5 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.332 0.268 25195 2914 1 5 . 1 1 59 59 LEU N N 59 125.300 125.300 121.908 3.392 25195 2915 1 5 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.762 -0.182 25195 2916 1 5 . 1 1 59 59 LEU CB C 59 42.300 42.300 43.353 -1.053 25195 2917 1 5 . 1 1 59 59 LEU H H 59 8.760 8.760 8.114 0.646 25195 2918 1 5 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.665 -0.155 25195 2919 1 5 . 1 1 60 60 PRO C C 60 178.400 178.400 177.496 0.904 25195 2920 1 5 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.227 -0.127 25195 2921 1 5 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.668 -0.368 25195 2922 1 5 . 1 1 61 61 ARG N N 61 125.800 125.800 122.038 3.762 25195 2923 1 5 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.854 -0.154 25195 2924 1 5 . 1 1 61 61 ARG C C 61 177.800 177.800 177.596 0.204 25195 2925 1 5 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.746 1.054 25195 2926 1 5 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.395 1.005 25195 2927 1 5 . 1 1 61 61 ARG H H 61 8.980 8.980 8.846 0.134 25195 2928 1 5 . 1 1 62 62 ASP N N 62 113.300 113.300 121.018 -7.718 25195 2929 1 5 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.391 -0.151 25195 2930 1 5 . 1 1 62 62 ASP C C 62 179.100 179.100 178.691 0.409 25195 2931 1 5 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.118 -0.118 25195 2932 1 5 . 1 1 62 62 ASP CB C 62 39.700 39.700 39.940 -0.240 25195 2933 1 5 . 1 1 62 62 ASP H H 62 8.820 8.820 8.513 0.307 25195 2934 1 5 . 1 1 63 63 MET N N 63 118.800 118.800 117.940 0.860 25195 2935 1 5 . 1 1 63 63 MET HA H 63 4.460 4.460 4.422 0.038 25195 2936 1 5 . 1 1 63 63 MET C C 63 177.700 177.700 179.206 -1.506 25195 2937 1 5 . 1 1 63 63 MET CA C 63 57.200 57.200 58.046 -0.846 25195 2938 1 5 . 1 1 63 63 MET CB C 63 32.500 32.500 31.760 0.740 25195 2939 1 5 . 1 1 63 63 MET H H 63 7.340 7.340 8.099 -0.759 25195 2940 1 5 . 1 1 64 64 LEU N N 64 121.000 121.000 120.496 0.504 25195 2941 1 5 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.069 -0.109 25195 2942 1 5 . 1 1 64 64 LEU C C 64 178.000 178.000 178.770 -0.770 25195 2943 1 5 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.174 0.126 25195 2944 1 5 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.872 -0.472 25195 2945 1 5 . 1 1 64 64 LEU H H 64 7.570 7.570 8.028 -0.458 25195 2946 1 5 . 1 1 65 65 VAL N N 65 117.200 117.200 119.825 -2.625 25195 2947 1 5 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.477 -0.047 25195 2948 1 5 . 1 1 65 65 VAL C C 65 178.500 178.500 177.973 0.527 25195 2949 1 5 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.042 0.558 25195 2950 1 5 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.549 0.451 25195 2951 1 5 . 1 1 65 65 VAL H H 65 8.250 8.250 8.240 0.010 25195 2952 1 5 . 1 1 66 66 GLU N N 66 120.200 120.200 119.818 0.382 25195 2953 1 5 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.013 0.327 25195 2954 1 5 . 1 1 66 66 GLU C C 66 178.500 178.500 179.319 -0.819 25195 2955 1 5 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.194 -0.494 25195 2956 1 5 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.216 -0.016 25195 2957 1 5 . 1 1 66 66 GLU H H 66 7.510 7.510 8.100 -0.590 25195 2958 1 5 . 1 1 67 67 LEU N N 67 121.100 121.100 121.061 0.039 25195 2959 1 5 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.164 -0.174 25195 2960 1 5 . 1 1 67 67 LEU C C 67 179.400 179.400 178.568 0.832 25195 2961 1 5 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.711 0.689 25195 2962 1 5 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.171 -0.371 25195 2963 1 5 . 1 1 67 67 LEU H H 67 8.480 8.480 7.957 0.523 25195 2964 1 5 . 1 1 68 68 LEU N N 68 118.500 118.500 118.372 0.128 25195 2965 1 5 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.132 -0.352 25195 2966 1 5 . 1 1 68 68 LEU C C 68 179.100 179.100 178.511 0.589 25195 2967 1 5 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.191 0.508 25195 2968 1 5 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.294 0.106 25195 2969 1 5 . 1 1 68 68 LEU H H 68 8.250 8.250 8.379 -0.129 25195 2970 1 5 . 1 1 69 69 ARG N N 69 119.200 119.200 118.588 0.612 25195 2971 1 5 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.281 -0.231 25195 2972 1 5 . 1 1 69 69 ARG C C 69 180.400 180.400 178.112 2.288 25195 2973 1 5 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.361 1.139 25195 2974 1 5 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.128 -0.028 25195 2975 1 5 . 1 1 69 69 ARG H H 69 7.950 7.950 8.373 -0.423 25195 2976 1 5 . 1 1 70 70 GLN N N 70 118.500 118.500 117.150 1.350 25195 2977 1 5 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.206 -0.176 25195 2978 1 5 . 1 1 70 70 GLN C C 70 179.900 179.900 178.136 1.764 25195 2979 1 5 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.707 1.193 25195 2980 1 5 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.526 0.874 25195 2981 1 5 . 1 1 70 70 GLN H H 70 8.450 8.450 7.766 0.684 25195 2982 1 5 . 1 1 71 71 MET N N 71 117.500 117.500 118.841 -1.341 25195 2983 1 5 . 1 1 71 71 MET HA H 71 4.140 4.140 4.157 -0.017 25195 2984 1 5 . 1 1 71 71 MET C C 71 175.200 175.200 176.784 -1.584 25195 2985 1 5 . 1 1 71 71 MET CA C 71 58.200 58.200 58.347 -0.147 25195 2986 1 5 . 1 1 71 71 MET CB C 71 36.200 36.200 33.042 3.158 25195 2987 1 5 . 1 1 71 71 MET H H 71 8.380 8.380 7.920 0.460 25195 2988 1 5 . 1 1 72 72 ALA N N 72 120.400 120.400 117.700 2.700 25195 2989 1 5 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.527 -0.497 25195 2990 1 5 . 1 1 72 72 ALA C C 72 176.600 176.600 177.008 -0.408 25195 2991 1 5 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.072 0.728 25195 2992 1 5 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.771 -5.271 25195 2993 1 5 . 1 1 72 72 ALA H H 72 8.100 8.100 7.522 0.578 25195 2994 1 5 . 1 1 73 73 ILE N N 73 108.600 108.600 115.370 -6.770 25195 2995 1 5 . 1 1 73 73 ILE C C 73 174.700 174.700 174.563 0.137 25195 2996 1 5 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.773 0.127 25195 2997 1 5 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.162 2.438 25195 2998 1 5 . 1 1 73 73 ILE H H 73 7.240 7.240 7.923 -0.683 25195 2999 1 5 . 1 1 74 74 SER N N 74 116.500 116.500 117.628 -1.128 25195 3000 1 5 . 1 1 74 74 SER HA H 74 4.780 4.780 4.512 0.268 25195 3001 1 5 . 1 1 74 74 SER CA C 74 55.900 55.900 59.080 -3.180 25195 3002 1 5 . 1 1 74 74 SER CB C 74 63.500 63.500 63.281 0.219 25195 3003 1 5 . 1 1 74 74 SER H H 74 8.290 8.290 8.579 -0.289 25195 3004 1 5 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.341 0.419 25195 3005 1 5 . 1 1 75 75 PRO C C 75 178.200 178.200 177.661 0.539 25195 3006 1 5 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.372 1.228 25195 3007 1 5 . 1 1 75 75 PRO CB C 75 32.100 32.100 32.198 -0.098 25195 3008 1 5 . 1 1 76 76 ARG N N 76 114.400 114.400 118.527 -4.127 25195 3009 1 5 . 1 1 76 76 ARG C C 76 178.100 178.100 176.174 1.926 25195 3010 1 5 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.537 1.463 25195 3011 1 5 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.028 -0.628 25195 3012 1 5 . 1 1 76 76 ARG H H 76 8.340 8.340 8.434 -0.094 25195 3013 1 5 . 1 1 77 77 ALA N N 77 119.400 119.400 117.624 1.776 25195 3014 1 5 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.518 -0.288 25195 3015 1 5 . 1 1 77 77 ALA C C 77 178.100 178.100 176.753 1.347 25195 3016 1 5 . 1 1 77 77 ALA CA C 77 53.800 53.800 50.981 2.819 25195 3017 1 5 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.887 -0.287 25195 3018 1 5 . 1 1 77 77 ALA H H 77 7.720 7.720 7.572 0.148 25195 3019 1 5 . 1 1 78 78 LEU N N 78 119.400 119.400 120.063 -0.663 25195 3020 1 5 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.380 -0.000 25195 3021 1 5 . 1 1 78 78 LEU C C 78 174.800 174.800 176.780 -1.980 25195 3022 1 5 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.274 -2.374 25195 3023 1 5 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.779 0.321 25195 3024 1 5 . 1 1 78 78 LEU H H 78 7.610 7.610 7.261 0.349 25195 3025 1 5 . 1 1 79 79 LEU N N 79 118.700 118.700 120.879 -2.179 25195 3026 1 5 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.955 0.695 25195 3027 1 5 . 1 1 79 79 LEU C C 79 178.900 178.900 176.859 2.041 25195 3028 1 5 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.740 0.360 25195 3029 1 5 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.499 5.101 25195 3030 1 5 . 1 1 79 79 LEU H H 79 7.220 7.220 7.688 -0.468 25195 3031 1 5 . 1 1 80 80 ARG N N 80 124.000 124.000 125.329 -1.329 25195 3032 1 5 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.025 0.195 25195 3033 1 5 . 1 1 80 80 ARG C C 80 174.800 174.800 177.072 -2.272 25195 3034 1 5 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.827 -0.627 25195 3035 1 5 . 1 1 80 80 ARG CB C 80 30.700 30.700 31.095 -0.394 25195 3036 1 5 . 1 1 80 80 ARG H H 80 8.780 8.780 8.089 0.691 25195 3037 1 5 . 1 1 81 81 ALA N N 81 124.400 124.400 123.681 0.719 25195 3038 1 5 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.236 -1.746 25195 3039 1 5 . 1 1 81 81 ALA C C 81 177.600 177.600 178.502 -0.902 25195 3040 1 5 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.641 -1.940 25195 3041 1 5 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.074 -0.474 25195 3042 1 5 . 1 1 81 81 ALA H H 81 7.420 7.420 8.688 -1.268 25195 3043 1 5 . 1 1 82 82 LYS N N 82 114.500 114.500 117.616 -3.116 25195 3044 1 5 . 1 1 82 82 LYS HA H 82 4.250 4.250 3.994 0.256 25195 3045 1 5 . 1 1 82 82 LYS C C 82 177.700 177.700 178.421 -0.721 25195 3046 1 5 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.559 -2.759 25195 3047 1 5 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.337 -0.937 25195 3048 1 5 . 1 1 82 82 LYS H H 82 8.190 8.190 8.429 -0.239 25195 3049 1 5 . 1 1 83 83 GLU N N 83 118.700 118.700 119.540 -0.840 25195 3050 1 5 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.349 -0.149 25195 3051 1 5 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.713 1.087 25195 3052 1 5 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.919 1.381 25195 3053 1 5 . 1 1 83 83 GLU H H 83 7.120 7.120 7.780 -0.660 25195 3054 1 5 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.914 0.296 25195 3055 1 5 . 1 1 84 84 ALA C C 84 180.900 180.900 179.313 1.587 25195 3056 1 5 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.694 0.006 25195 3057 1 5 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.830 -1.030 25195 3058 1 5 . 1 1 85 85 ARG N N 85 115.800 115.800 118.724 -2.924 25195 3059 1 5 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.953 0.107 25195 3060 1 5 . 1 1 85 85 ARG C C 85 178.200 178.200 178.133 0.067 25195 3061 1 5 . 1 1 85 85 ARG CA C 85 56.900 56.900 59.119 -2.219 25195 3062 1 5 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.575 0.326 25195 3063 1 5 . 1 1 85 85 ARG H H 85 9.280 9.280 8.179 1.101 25195 3064 1 5 . 1 1 86 86 TYR N N 86 118.300 118.300 120.174 -1.874 25195 3065 1 5 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.056 -0.216 25195 3066 1 5 . 1 1 86 86 TYR C C 86 176.500 176.500 176.809 -0.309 25195 3067 1 5 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.605 -0.405 25195 3068 1 5 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.858 0.341 25195 3069 1 5 . 1 1 86 86 TYR H H 86 7.270 7.270 8.645 -1.375 25195 3070 1 5 . 1 1 87 87 ALA N N 87 120.500 120.500 119.647 0.853 25195 3071 1 5 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.603 0.737 25195 3072 1 5 . 1 1 87 87 ALA C C 87 181.900 181.900 180.316 1.584 25195 3073 1 5 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.933 0.467 25195 3074 1 5 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.939 0.461 25195 3075 1 5 . 1 1 87 87 ALA H H 87 7.110 7.110 7.712 -0.602 25195 3076 1 5 . 1 1 88 88 GLU N N 88 119.500 119.500 120.081 -0.581 25195 3077 1 5 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.006 -0.026 25195 3078 1 5 . 1 1 88 88 GLU C C 88 178.800 178.800 178.480 0.320 25195 3079 1 5 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.828 0.472 25195 3080 1 5 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.521 0.979 25195 3081 1 5 . 1 1 88 88 GLU H H 88 8.240 8.240 8.079 0.161 25195 3082 1 5 . 1 1 89 89 LEU N N 89 115.100 115.100 117.218 -2.118 25195 3083 1 5 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.213 0.067 25195 3084 1 5 . 1 1 89 89 LEU C C 89 176.900 176.900 177.430 -0.530 25195 3085 1 5 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.545 -1.045 25195 3086 1 5 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.315 0.485 25195 3087 1 5 . 1 1 89 89 LEU H H 89 7.430 7.430 7.917 -0.487 25195 3088 1 5 . 1 1 90 90 GLY N N 90 108.200 108.200 105.989 2.211 25195 3089 1 5 . 1 1 90 90 GLY C C 90 176.900 176.900 175.834 1.066 25195 3090 1 5 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.584 1.416 25195 3091 1 5 . 1 1 90 90 GLY H H 90 7.690 7.690 7.684 0.006 25195 3092 1 5 . 1 1 91 91 LEU N N 91 113.000 113.000 120.285 -7.285 25195 3093 1 5 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.001 -0.231 25195 3094 1 5 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.597 -1.897 25195 3095 1 5 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.178 -1.878 25195 3096 1 5 . 1 1 91 91 LEU H H 91 7.000 7.000 7.326 -0.326 25195 3097 1 5 . 1 1 92 92 ASP N N 92 117.000 117.000 113.518 3.482 25195 3098 1 5 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.450 -0.010 25195 3099 1 5 . 1 1 92 92 ASP C C 92 175.400 175.400 176.428 -1.028 25195 3100 1 5 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.862 -0.062 25195 3101 1 5 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.138 0.562 25195 3102 1 5 . 1 1 92 92 ASP H H 92 8.510 8.510 7.788 0.722 25195 3103 1 5 . 1 1 93 93 ASP N N 93 120.600 120.600 121.494 -0.894 25195 3104 1 5 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.614 -0.034 25195 3105 1 5 . 1 1 93 93 ASP C C 93 176.000 176.000 176.859 -0.859 25195 3106 1 5 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.557 -1.457 25195 3107 1 5 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.849 0.651 25195 3108 1 5 . 1 1 93 93 ASP H H 93 7.000 7.000 7.725 -0.725 25195 3109 1 5 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.296 0.004 25195 3110 1 5 . 1 1 94 94 PRO C C 94 178.100 178.100 177.344 0.756 25195 3111 1 5 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.233 -0.433 25195 3112 1 5 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.861 0.339 25195 3113 1 5 . 1 1 95 95 ALA N N 95 121.900 121.900 120.330 1.570 25195 3114 1 5 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.355 -0.085 25195 3115 1 5 . 1 1 95 95 ALA C C 95 178.400 178.400 177.213 1.187 25195 3116 1 5 . 1 1 95 95 ALA CA C 95 52.500 52.500 51.937 0.563 25195 3117 1 5 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.442 0.758 25195 3118 1 5 . 1 1 95 95 ALA H H 95 8.610 8.610 8.163 0.447 25195 3119 1 5 . 1 1 96 96 LEU N N 96 117.600 117.600 120.036 -2.436 25195 3120 1 5 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.618 -0.448 25195 3121 1 5 . 1 1 96 96 LEU C C 96 177.600 177.600 176.566 1.034 25195 3122 1 5 . 1 1 96 96 LEU CA C 96 55.500 55.500 54.533 0.967 25195 3123 1 5 . 1 1 96 96 LEU CB C 96 42.400 42.400 43.340 -0.940 25195 3124 1 5 . 1 1 96 96 LEU H H 96 7.010 7.010 7.566 -0.556 25195 3125 1 5 . 1 1 97 97 SER N N 97 119.200 119.200 113.077 6.123 25195 3126 1 5 . 1 1 97 97 SER HA H 97 4.360 4.360 4.773 -0.413 25195 3127 1 5 . 1 1 97 97 SER C C 97 174.400 174.400 174.322 0.078 25195 3128 1 5 . 1 1 97 97 SER CA C 97 57.300 57.300 57.179 0.120 25195 3129 1 5 . 1 1 97 97 SER CB C 97 64.900 64.900 66.121 -1.221 25195 3130 1 5 . 1 1 97 97 SER H H 97 8.620 8.620 8.029 0.591 25195 3131 1 5 . 1 1 98 98 ASP N N 98 122.000 122.000 123.047 -1.047 25195 3132 1 5 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.449 -0.179 25195 3133 1 5 . 1 1 98 98 ASP C C 98 178.100 178.100 178.089 0.011 25195 3134 1 5 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.329 0.471 25195 3135 1 5 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.649 -0.549 25195 3136 1 5 . 1 1 98 98 ASP H H 98 9.050 9.050 8.782 0.268 25195 3137 1 5 . 1 1 99 99 GLU N N 99 116.100 116.100 119.073 -2.973 25195 3138 1 5 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.014 -0.224 25195 3139 1 5 . 1 1 99 99 GLU C C 99 176.800 176.800 178.700 -1.900 25195 3140 1 5 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.450 0.450 25195 3141 1 5 . 1 1 99 99 GLU CB C 99 29.200 29.200 28.956 0.244 25195 3142 1 5 . 1 1 99 99 GLU H H 99 8.250 8.250 8.884 -0.634 25195 3143 1 5 . 1 1 100 100 VAL N N 100 118.000 118.000 116.243 1.757 25195 3144 1 5 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.936 -0.126 25195 3145 1 5 . 1 1 100 100 VAL C C 100 179.200 179.200 177.684 1.516 25195 3146 1 5 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.175 0.425 25195 3147 1 5 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.586 -0.186 25195 3148 1 5 . 1 1 100 100 VAL H H 100 7.290 7.290 7.302 -0.012 25195 3149 1 5 . 1 1 101 101 LEU N N 101 120.100 120.100 120.836 -0.736 25195 3150 1 5 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.031 -0.081 25195 3151 1 5 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.204 -0.104 25195 3152 1 5 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.929 0.571 25195 3153 1 5 . 1 1 101 101 LEU H H 101 7.610 7.610 7.744 -0.134 25195 3154 1 5 . 1 1 102 102 ILE N N 102 118.900 118.900 119.542 -0.642 25195 3155 1 5 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.601 -0.181 25195 3156 1 5 . 1 1 102 102 ILE C C 102 177.700 177.700 177.698 0.002 25195 3157 1 5 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.198 0.202 25195 3158 1 5 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.677 0.823 25195 3159 1 5 . 1 1 102 102 ILE H H 102 8.260 8.260 8.623 -0.363 25195 3160 1 5 . 1 1 103 103 ASP N N 103 118.000 118.000 120.151 -2.151 25195 3161 1 5 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.276 0.044 25195 3162 1 5 . 1 1 103 103 ASP C C 103 179.400 179.400 178.342 1.058 25195 3163 1 5 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.367 0.432 25195 3164 1 5 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.612 -0.512 25195 3165 1 5 . 1 1 103 103 ASP H H 103 8.080 8.080 8.009 0.071 25195 3166 1 5 . 1 1 104 104 ALA N N 104 121.500 121.500 121.554 -0.054 25195 3167 1 5 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.160 -0.090 25195 3168 1 5 . 1 1 104 104 ALA C C 104 179.900 179.900 179.592 0.308 25195 3169 1 5 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.731 0.669 25195 3170 1 5 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.466 -0.766 25195 3171 1 5 . 1 1 104 104 ALA H H 104 8.210 8.210 7.914 0.296 25195 3172 1 5 . 1 1 105 105 MET N N 105 115.800 115.800 119.463 -3.663 25195 3173 1 5 . 1 1 105 105 MET HA H 105 3.940 3.940 4.110 -0.170 25195 3174 1 5 . 1 1 105 105 MET C C 105 176.700 176.700 178.452 -1.752 25195 3175 1 5 . 1 1 105 105 MET CA C 105 59.500 59.500 59.026 0.474 25195 3176 1 5 . 1 1 105 105 MET CB C 105 35.400 35.400 32.942 2.458 25195 3177 1 5 . 1 1 105 105 MET H H 105 7.520 7.520 7.713 -0.193 25195 3178 1 5 . 1 1 106 106 ILE N N 106 118.100 118.100 115.065 3.035 25195 3179 1 5 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.891 0.129 25195 3180 1 5 . 1 1 106 106 ILE C C 106 178.200 178.200 177.376 0.824 25195 3181 1 5 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.096 -1.095 25195 3182 1 5 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.430 0.270 25195 3183 1 5 . 1 1 106 106 ILE H H 106 7.730 7.730 8.390 -0.660 25195 3184 1 5 . 1 1 107 107 SER N N 107 112.400 112.400 113.561 -1.161 25195 3185 1 5 . 1 1 107 107 SER HA H 107 4.340 4.340 4.403 -0.063 25195 3186 1 5 . 1 1 107 107 SER C C 107 174.800 174.800 175.124 -0.324 25195 3187 1 5 . 1 1 107 107 SER CA C 107 60.400 60.400 59.379 1.021 25195 3188 1 5 . 1 1 107 107 SER CB C 107 64.000 64.000 64.457 -0.457 25195 3189 1 5 . 1 1 107 107 SER H H 107 8.160 8.160 7.614 0.546 25195 3190 1 5 . 1 1 108 108 ASN N N 108 116.400 116.400 120.229 -3.829 25195 3191 1 5 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.001 0.289 25195 3192 1 5 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.867 -1.768 25195 3193 1 5 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.880 1.320 25195 3194 1 5 . 1 1 108 108 ASN H H 108 7.700 7.700 7.862 -0.162 25195 3195 1 5 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.390 0.380 25195 3196 1 5 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.846 0.954 25195 3197 1 5 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.805 0.395 25195 3198 1 5 . 1 1 110 110 VAL N N 110 119.100 119.100 117.981 1.119 25195 3199 1 5 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.824 0.226 25195 3200 1 5 . 1 1 110 110 VAL C C 110 175.200 175.200 176.157 -0.957 25195 3201 1 5 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.875 0.725 25195 3202 1 5 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.173 0.027 25195 3203 1 5 . 1 1 110 110 VAL H H 110 8.280 8.280 7.691 0.589 25195 3204 1 5 . 1 1 111 111 LEU N N 111 115.200 115.200 113.566 1.634 25195 3205 1 5 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.234 0.166 25195 3206 1 5 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.955 2.245 25195 3207 1 5 . 1 1 111 111 LEU H H 111 8.420 8.420 7.246 1.174 25195 3208 1 5 . 1 1 112 112 MET N N 112 118.900 118.900 120.405 -1.505 25195 3209 1 5 . 1 1 112 112 MET HA H 112 4.060 4.060 4.232 -0.172 25195 3210 1 5 . 1 1 112 112 MET CA C 112 56.500 56.500 56.824 -0.324 25195 3211 1 5 . 1 1 112 112 MET CB C 112 35.600 35.600 31.906 3.694 25195 3212 1 5 . 1 1 112 112 MET H H 112 7.940 7.940 7.700 0.240 25195 3213 1 5 . 1 1 113 113 ASN N N 113 125.800 125.800 123.475 2.325 25195 3214 1 5 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.883 -0.243 25195 3215 1 5 . 1 1 113 113 ASN C C 113 170.700 170.700 176.047 -5.347 25195 3216 1 5 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.174 -0.974 25195 3217 1 5 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.529 -1.629 25195 3218 1 5 . 1 1 113 113 ASN H H 113 9.140 9.140 8.352 0.788 25195 3219 1 5 . 1 1 114 114 ARG N N 114 113.200 113.200 120.207 -7.007 25195 3220 1 5 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.987 -5.187 25195 3221 1 5 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.043 1.757 25195 3222 1 5 . 1 1 114 114 ARG H H 114 7.970 7.970 8.110 -0.140 25195 3223 1 5 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.679 0.141 25195 3224 1 5 . 1 1 115 115 PRO C C 115 175.400 175.400 175.872 -0.472 25195 3225 1 5 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.552 0.048 25195 3226 1 5 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.387 2.013 25195 3227 1 5 . 1 1 116 116 VAL N N 116 124.500 124.500 127.577 -3.077 25195 3228 1 5 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.373 0.707 25195 3229 1 5 . 1 1 116 116 VAL C C 116 174.500 174.500 174.210 0.290 25195 3230 1 5 . 1 1 116 116 VAL CA C 116 62.500 62.500 60.886 1.614 25195 3231 1 5 . 1 1 116 116 VAL CB C 116 33.000 33.000 34.694 -1.694 25195 3232 1 5 . 1 1 116 116 VAL H H 116 7.840 7.840 8.871 -1.031 25195 3233 1 5 . 1 1 117 117 VAL N N 117 128.000 128.000 128.162 -0.162 25195 3234 1 5 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.267 0.513 25195 3235 1 5 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.998 1.002 25195 3236 1 5 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.321 0.479 25195 3237 1 5 . 1 1 117 117 VAL H H 117 8.670 8.670 9.125 -0.455 25195 3238 1 5 . 1 1 118 118 VAL N N 118 125.700 125.700 129.751 -4.051 25195 3239 1 5 . 1 1 118 118 VAL C C 118 175.700 175.700 174.286 1.414 25195 3240 1 5 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.124 0.076 25195 3241 1 5 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.749 2.251 25195 3242 1 5 . 1 1 118 118 VAL H H 118 9.110 9.110 8.982 0.128 25195 3243 1 5 . 1 1 119 119 THR N N 119 118.500 118.500 118.763 -0.263 25195 3244 1 5 . 1 1 119 119 THR HA H 119 5.490 5.490 4.937 0.553 25195 3245 1 5 . 1 1 119 119 THR CA C 119 58.800 58.800 58.620 0.180 25195 3246 1 5 . 1 1 119 119 THR CB C 119 69.800 69.800 70.479 -0.679 25195 3247 1 5 . 1 1 119 119 THR H H 119 9.370 9.370 8.626 0.744 25195 3248 1 5 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.456 0.024 25195 3249 1 5 . 1 1 120 120 PRO C C 120 177.800 177.800 176.586 1.214 25195 3250 1 5 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.432 0.668 25195 3251 1 5 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.599 0.701 25195 3252 1 5 . 1 1 121 121 LYS N N 121 113.600 113.600 115.369 -1.769 25195 3253 1 5 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.459 -0.199 25195 3254 1 5 . 1 1 121 121 LYS C C 121 176.400 176.400 176.246 0.154 25195 3255 1 5 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.685 1.515 25195 3256 1 5 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.545 0.255 25195 3257 1 5 . 1 1 121 121 LYS H H 121 8.360 8.360 7.821 0.539 25195 3258 1 5 . 1 1 122 122 GLY N N 122 108.400 108.400 107.641 0.759 25195 3259 1 5 . 1 1 122 122 GLY C C 122 169.500 169.500 172.331 -2.831 25195 3260 1 5 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.044 0.056 25195 3261 1 5 . 1 1 122 122 GLY H H 122 7.900 7.900 7.595 0.305 25195 3262 1 5 . 1 1 123 123 VAL N N 123 117.100 117.100 120.644 -3.544 25195 3263 1 5 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.954 0.506 25195 3264 1 5 . 1 1 123 123 VAL C C 123 176.100 176.100 174.280 1.820 25195 3265 1 5 . 1 1 123 123 VAL CA C 123 60.000 60.000 59.774 0.226 25195 3266 1 5 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.033 -0.233 25195 3267 1 5 . 1 1 123 123 VAL H H 123 8.080 8.080 8.392 -0.312 25195 3268 1 5 . 1 1 124 124 ARG N N 124 122.300 122.300 126.433 -4.133 25195 3269 1 5 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.574 0.086 25195 3270 1 5 . 1 1 124 124 ARG C C 124 174.800 174.800 174.040 0.760 25195 3271 1 5 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.311 0.089 25195 3272 1 5 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.281 1.619 25195 3273 1 5 . 1 1 124 124 ARG H H 124 8.510 8.510 8.764 -0.254 25195 3274 1 5 . 1 1 125 125 LEU N N 125 125.500 125.500 122.143 3.357 25195 3275 1 5 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.287 0.313 25195 3276 1 5 . 1 1 125 125 LEU C C 125 176.500 176.500 178.394 -1.894 25195 3277 1 5 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.091 -1.391 25195 3278 1 5 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.843 -1.944 25195 3279 1 5 . 1 1 125 125 LEU H H 125 8.860 8.860 8.667 0.193 25195 3280 1 5 . 1 1 126 126 CYS N N 126 129.700 129.700 124.655 5.045 25195 3281 1 5 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.208 0.282 25195 3282 1 5 . 1 1 126 126 CYS C C 126 172.000 172.000 174.263 -2.263 25195 3283 1 5 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.876 0.024 25195 3284 1 5 . 1 1 126 126 CYS CB C 126 27.300 27.300 26.997 0.303 25195 3285 1 5 . 1 1 126 126 CYS H H 126 8.540 8.540 8.728 -0.188 25195 3286 1 5 . 1 1 127 127 ARG N N 127 117.500 117.500 119.340 -1.840 25195 3287 1 5 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.728 -0.538 25195 3288 1 5 . 1 1 127 127 ARG CA C 127 53.200 53.200 52.901 0.299 25195 3289 1 5 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.746 1.654 25195 3290 1 5 . 1 1 127 127 ARG H H 127 6.930 6.930 7.178 -0.248 25195 3291 1 5 . 1 1 128 128 PRO C C 128 177.100 177.100 177.175 -0.075 25195 3292 1 5 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.415 0.785 25195 3293 1 5 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.590 2.711 25195 3294 1 5 . 1 1 129 129 ALA N N 129 124.000 124.000 120.692 3.308 25195 3295 1 5 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.057 -0.207 25195 3296 1 5 . 1 1 129 129 ALA C C 129 177.700 177.700 180.116 -2.416 25195 3297 1 5 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.990 0.210 25195 3298 1 5 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.463 1.437 25195 3299 1 5 . 1 1 129 129 ALA H H 129 9.320 9.320 8.552 0.768 25195 3300 1 5 . 1 1 130 130 GLU N N 130 111.600 111.600 117.463 -5.863 25195 3301 1 5 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.026 -0.186 25195 3302 1 5 . 1 1 130 130 GLU C C 130 178.200 178.200 178.574 -0.374 25195 3303 1 5 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.525 0.975 25195 3304 1 5 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.431 -1.331 25195 3305 1 5 . 1 1 130 130 GLU H H 130 9.490 9.490 8.739 0.750 25195 3306 1 5 . 1 1 131 131 THR N N 131 116.100 116.100 113.628 2.472 25195 3307 1 5 . 1 1 131 131 THR HA H 131 4.040 4.040 4.114 -0.074 25195 3308 1 5 . 1 1 131 131 THR C C 131 175.800 175.800 176.630 -0.830 25195 3309 1 5 . 1 1 131 131 THR CA C 131 65.600 65.600 65.848 -0.248 25195 3310 1 5 . 1 1 131 131 THR CB C 131 69.800 69.800 68.889 0.911 25195 3311 1 5 . 1 1 131 131 THR H H 131 7.940 7.940 7.720 0.220 25195 3312 1 5 . 1 1 132 132 VAL N N 132 119.200 119.200 122.616 -3.416 25195 3313 1 5 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.719 0.161 25195 3314 1 5 . 1 1 132 132 VAL C C 132 176.500 176.500 177.450 -0.950 25195 3315 1 5 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.687 -1.587 25195 3316 1 5 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.310 1.090 25195 3317 1 5 . 1 1 132 132 VAL H H 132 8.130 8.130 7.690 0.440 25195 3318 1 5 . 1 1 133 133 GLN N N 133 118.500 118.500 118.310 0.190 25195 3319 1 5 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.111 -0.261 25195 3320 1 5 . 1 1 133 133 GLN C C 133 178.500 178.500 177.610 0.890 25195 3321 1 5 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.371 0.429 25195 3322 1 5 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.296 -0.296 25195 3323 1 5 . 1 1 133 133 GLN H H 133 7.690 7.690 8.099 -0.409 25195 3324 1 5 . 1 1 134 134 GLU N N 134 115.200 115.200 119.535 -4.335 25195 3325 1 5 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.168 -0.028 25195 3326 1 5 . 1 1 134 134 GLU C C 134 177.000 177.000 178.048 -1.048 25195 3327 1 5 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.906 -0.106 25195 3328 1 5 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.027 -0.127 25195 3329 1 5 . 1 1 134 134 GLU H H 134 7.620 7.620 7.766 -0.146 25195 3330 1 5 . 1 1 135 135 LEU N N 135 115.600 115.600 119.590 -3.990 25195 3331 1 5 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.260 -0.040 25195 3332 1 5 . 1 1 135 135 LEU C C 135 176.100 176.100 177.057 -0.957 25195 3333 1 5 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.406 -2.606 25195 3334 1 5 . 1 1 135 135 LEU CB C 135 43.300 43.300 43.017 0.283 25195 3335 1 5 . 1 1 135 135 LEU H H 135 7.740 7.740 7.671 0.069 25195 3336 1 6 . 1 1 9 9 MET C C 9 176.700 176.700 173.767 2.933 25195 3337 1 6 . 1 1 9 9 MET CA C 9 55.600 55.600 55.213 0.387 25195 3338 1 6 . 1 1 9 9 MET CB C 9 32.700 32.700 35.976 -3.276 25195 3339 1 6 . 1 1 10 10 GLY N N 10 109.800 109.800 109.758 0.042 25195 3340 1 6 . 1 1 10 10 GLY C C 10 174.400 174.400 172.228 2.172 25195 3341 1 6 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.750 0.550 25195 3342 1 6 . 1 1 10 10 GLY H H 10 8.480 8.480 8.713 -0.233 25195 3343 1 6 . 1 1 11 11 THR N N 11 113.500 113.500 115.998 -2.498 25195 3344 1 6 . 1 1 11 11 THR HA H 11 4.330 4.330 4.536 -0.206 25195 3345 1 6 . 1 1 11 11 THR CA C 11 62.100 62.100 62.071 0.029 25195 3346 1 6 . 1 1 11 11 THR CB C 11 69.900 69.900 70.400 -0.500 25195 3347 1 6 . 1 1 11 11 THR H H 11 8.080 8.080 8.231 -0.151 25195 3348 1 6 . 1 1 12 12 LEU N N 12 123.900 123.900 121.786 2.114 25195 3349 1 6 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.690 -0.380 25195 3350 1 6 . 1 1 12 12 LEU C C 12 177.700 177.700 174.827 2.873 25195 3351 1 6 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.269 1.531 25195 3352 1 6 . 1 1 12 12 LEU CB C 12 42.200 42.200 45.764 -3.564 25195 3353 1 6 . 1 1 12 12 LEU H H 12 8.390 8.390 8.092 0.298 25195 3354 1 6 . 1 1 13 13 GLU N N 13 121.300 121.300 118.601 2.699 25195 3355 1 6 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.759 -0.559 25195 3356 1 6 . 1 1 13 13 GLU C C 13 176.500 176.500 174.647 1.853 25195 3357 1 6 . 1 1 13 13 GLU CA C 13 57.100 57.100 56.178 0.921 25195 3358 1 6 . 1 1 13 13 GLU CB C 13 29.900 29.900 30.648 -0.748 25195 3359 1 6 . 1 1 13 13 GLU H H 13 8.430 8.430 8.455 -0.025 25195 3360 1 6 . 1 1 14 14 ALA N N 14 124.100 124.100 125.796 -1.696 25195 3361 1 6 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.483 -0.213 25195 3362 1 6 . 1 1 14 14 ALA C C 14 177.900 177.900 174.762 3.138 25195 3363 1 6 . 1 1 14 14 ALA CA C 14 52.800 52.800 52.129 0.671 25195 3364 1 6 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.858 -1.658 25195 3365 1 6 . 1 1 14 14 ALA H H 14 8.270 8.270 8.201 0.069 25195 3366 1 6 . 1 1 15 15 GLN N N 15 118.900 118.900 118.510 0.390 25195 3367 1 6 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.626 -0.386 25195 3368 1 6 . 1 1 15 15 GLN C C 15 176.500 176.500 174.663 1.837 25195 3369 1 6 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.836 -0.036 25195 3370 1 6 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.771 -1.371 25195 3371 1 6 . 1 1 15 15 GLN H H 15 8.360 8.360 8.379 -0.019 25195 3372 1 6 . 1 1 16 16 THR N N 16 114.900 114.900 116.283 -1.383 25195 3373 1 6 . 1 1 16 16 THR HA H 16 4.360 4.360 4.595 -0.235 25195 3374 1 6 . 1 1 16 16 THR C C 16 174.600 174.600 173.755 0.845 25195 3375 1 6 . 1 1 16 16 THR CA C 16 61.900 61.900 61.662 0.238 25195 3376 1 6 . 1 1 16 16 THR CB C 16 69.800 69.800 69.951 -0.151 25195 3377 1 6 . 1 1 16 16 THR H H 16 8.190 8.190 8.224 -0.034 25195 3378 1 6 . 1 1 17 17 GLN N N 17 122.100 122.100 120.392 1.708 25195 3379 1 6 . 1 1 17 17 GLN C C 17 176.100 176.100 175.787 0.313 25195 3380 1 6 . 1 1 17 17 GLN CA C 17 55.700 55.700 54.467 1.233 25195 3381 1 6 . 1 1 17 17 GLN CB C 17 29.700 29.700 30.502 -0.802 25195 3382 1 6 . 1 1 17 17 GLN H H 17 8.440 8.440 8.475 -0.035 25195 3383 1 6 . 1 1 18 18 GLY N N 18 110.100 110.100 108.244 1.856 25195 3384 1 6 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.519 0.181 25195 3385 1 6 . 1 1 18 18 GLY H H 18 8.370 8.370 8.299 0.071 25195 3386 1 6 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.506 -0.066 25195 3387 1 6 . 1 1 19 19 PRO C C 19 177.700 177.700 177.060 0.640 25195 3388 1 6 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.421 1.279 25195 3389 1 6 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.507 -0.107 25195 3390 1 6 . 1 1 20 20 GLY N N 20 109.200 109.200 107.516 1.684 25195 3391 1 6 . 1 1 20 20 GLY C C 20 174.400 174.400 174.454 -0.054 25195 3392 1 6 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.665 -0.265 25195 3393 1 6 . 1 1 20 20 GLY H H 20 8.620 8.620 8.341 0.279 25195 3394 1 6 . 1 1 21 21 SER N N 21 115.000 115.000 119.605 -4.605 25195 3395 1 6 . 1 1 21 21 SER HA H 21 4.420 4.420 4.619 -0.199 25195 3396 1 6 . 1 1 21 21 SER C C 21 174.600 174.600 174.206 0.394 25195 3397 1 6 . 1 1 21 21 SER CA C 21 58.600 58.600 57.457 1.143 25195 3398 1 6 . 1 1 21 21 SER CB C 21 64.100 64.100 63.980 0.120 25195 3399 1 6 . 1 1 21 21 SER H H 21 8.180 8.180 8.435 -0.255 25195 3400 1 6 . 1 1 22 22 MET N N 22 121.500 121.500 119.791 1.709 25195 3401 1 6 . 1 1 22 22 MET HA H 22 4.440 4.440 4.530 -0.090 25195 3402 1 6 . 1 1 22 22 MET C C 22 175.100 175.100 175.375 -0.275 25195 3403 1 6 . 1 1 22 22 MET CA C 22 55.600 55.600 56.220 -0.620 25195 3404 1 6 . 1 1 22 22 MET CB C 22 33.600 33.600 31.079 2.521 25195 3405 1 6 . 1 1 22 22 MET H H 22 8.340 8.340 7.783 0.557 25195 3406 1 6 . 1 1 23 23 ASP N N 23 123.000 123.000 124.754 -1.754 25195 3407 1 6 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.897 -0.287 25195 3408 1 6 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.157 0.643 25195 3409 1 6 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.967 -0.267 25195 3410 1 6 . 1 1 23 23 ASP H H 23 8.170 8.170 8.325 -0.155 25195 3411 1 6 . 1 1 24 24 VAL N N 24 123.200 123.200 120.890 2.310 25195 3412 1 6 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.772 0.268 25195 3413 1 6 . 1 1 24 24 VAL C C 24 174.900 174.900 173.772 1.128 25195 3414 1 6 . 1 1 24 24 VAL CA C 24 60.900 60.900 59.927 0.973 25195 3415 1 6 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.648 0.452 25195 3416 1 6 . 1 1 24 24 VAL H H 24 8.210 8.210 8.065 0.145 25195 3417 1 6 . 1 1 25 25 THR N N 25 124.200 124.200 124.327 -0.127 25195 3418 1 6 . 1 1 25 25 THR HA H 25 5.310 5.310 4.829 0.481 25195 3419 1 6 . 1 1 25 25 THR C C 25 172.300 172.300 173.471 -1.171 25195 3420 1 6 . 1 1 25 25 THR CA C 25 61.800 61.800 60.973 0.827 25195 3421 1 6 . 1 1 25 25 THR CB C 25 71.600 71.600 69.674 1.927 25195 3422 1 6 . 1 1 25 25 THR H H 25 9.170 9.170 8.674 0.496 25195 3423 1 6 . 1 1 26 26 ILE N N 26 122.500 122.500 124.065 -1.565 25195 3424 1 6 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.774 0.496 25195 3425 1 6 . 1 1 26 26 ILE C C 26 172.200 172.200 174.245 -2.045 25195 3426 1 6 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.002 -0.302 25195 3427 1 6 . 1 1 26 26 ILE CB C 26 42.300 42.300 39.192 3.108 25195 3428 1 6 . 1 1 26 26 ILE H H 26 8.910 8.910 8.781 0.129 25195 3429 1 6 . 1 1 27 27 TYR N N 27 129.400 129.400 126.274 3.126 25195 3430 1 6 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.175 0.005 25195 3431 1 6 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.722 1.778 25195 3432 1 6 . 1 1 27 27 TYR CB C 27 37.100 37.100 38.914 -1.814 25195 3433 1 6 . 1 1 27 27 TYR H H 27 9.090 9.090 9.114 -0.024 25195 3434 1 6 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.634 3.066 25195 3435 1 6 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.352 0.498 25195 3436 1 6 . 1 1 30 30 PRO C C 30 177.000 177.000 175.664 1.336 25195 3437 1 6 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.052 1.148 25195 3438 1 6 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.050 2.650 25195 3439 1 6 . 1 1 31 31 VAL N N 31 112.100 112.100 123.777 -11.677 25195 3440 1 6 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.371 -0.211 25195 3441 1 6 . 1 1 31 31 VAL C C 31 175.000 175.000 175.282 -0.282 25195 3442 1 6 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.394 1.607 25195 3443 1 6 . 1 1 31 31 VAL CB C 31 31.500 31.500 34.346 -2.846 25195 3444 1 6 . 1 1 31 31 VAL H H 31 7.290 7.290 8.451 -1.161 25195 3445 1 6 . 1 1 32 32 CYS N N 32 126.100 126.100 126.472 -0.372 25195 3446 1 6 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.326 0.034 25195 3447 1 6 . 1 1 32 32 CYS CA C 32 59.300 59.300 60.069 -0.769 25195 3448 1 6 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.451 3.749 25195 3449 1 6 . 1 1 32 32 CYS H H 32 7.780 7.780 9.036 -1.256 25195 3450 1 6 . 1 1 33 33 GLY C C 33 177.400 177.400 175.733 1.667 25195 3451 1 6 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.037 1.663 25195 3452 1 6 . 1 1 34 34 THR N N 34 123.700 123.700 120.156 3.544 25195 3453 1 6 . 1 1 34 34 THR HA H 34 4.250 4.250 3.997 0.253 25195 3454 1 6 . 1 1 34 34 THR C C 34 175.600 175.600 176.103 -0.503 25195 3455 1 6 . 1 1 34 34 THR CA C 34 67.600 67.600 66.461 1.139 25195 3456 1 6 . 1 1 34 34 THR CB C 34 68.700 68.700 68.668 0.032 25195 3457 1 6 . 1 1 34 34 THR H H 34 9.110 9.110 7.781 1.329 25195 3458 1 6 . 1 1 35 35 SER N N 35 123.600 123.600 117.480 6.120 25195 3459 1 6 . 1 1 35 35 SER C C 35 177.900 177.900 176.304 1.596 25195 3460 1 6 . 1 1 35 35 SER CA C 35 63.800 63.800 62.290 1.510 25195 3461 1 6 . 1 1 35 35 SER CB C 35 63.800 63.800 63.419 0.381 25195 3462 1 6 . 1 1 35 35 SER H H 35 9.530 9.530 8.424 1.106 25195 3463 1 6 . 1 1 36 36 ARG N N 36 113.400 113.400 120.685 -7.285 25195 3464 1 6 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.160 -0.160 25195 3465 1 6 . 1 1 36 36 ARG C C 36 179.200 179.200 178.561 0.639 25195 3466 1 6 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.536 2.764 25195 3467 1 6 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.329 1.971 25195 3468 1 6 . 1 1 36 36 ARG H H 36 8.740 8.740 8.466 0.273 25195 3469 1 6 . 1 1 37 37 LYS N N 37 121.900 121.900 120.763 1.137 25195 3470 1 6 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.048 0.092 25195 3471 1 6 . 1 1 37 37 LYS C C 37 179.400 179.400 178.852 0.548 25195 3472 1 6 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.551 0.149 25195 3473 1 6 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.356 0.244 25195 3474 1 6 . 1 1 37 37 LYS H H 37 7.980 7.980 7.990 -0.010 25195 3475 1 6 . 1 1 38 38 VAL N N 38 120.900 120.900 119.734 1.166 25195 3476 1 6 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.604 0.016 25195 3477 1 6 . 1 1 38 38 VAL C C 38 177.300 177.300 177.817 -0.517 25195 3478 1 6 . 1 1 38 38 VAL CA C 38 67.300 67.300 67.248 0.052 25195 3479 1 6 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.695 0.205 25195 3480 1 6 . 1 1 38 38 VAL H H 38 8.670 8.670 8.045 0.625 25195 3481 1 6 . 1 1 39 39 LEU N N 39 120.200 120.200 119.391 0.809 25195 3482 1 6 . 1 1 39 39 LEU C C 39 178.300 178.300 179.363 -1.063 25195 3483 1 6 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.964 0.636 25195 3484 1 6 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.185 0.414 25195 3485 1 6 . 1 1 39 39 LEU H H 39 8.300 8.300 8.363 -0.063 25195 3486 1 6 . 1 1 40 40 GLY N N 40 103.600 103.600 106.927 -3.327 25195 3487 1 6 . 1 1 40 40 GLY C C 40 176.600 176.600 176.305 0.295 25195 3488 1 6 . 1 1 40 40 GLY CA C 40 47.400 47.400 46.916 0.485 25195 3489 1 6 . 1 1 40 40 GLY H H 40 8.050 8.050 8.257 -0.207 25195 3490 1 6 . 1 1 41 41 MET N N 41 122.300 122.300 122.119 0.181 25195 3491 1 6 . 1 1 41 41 MET HA H 41 4.030 4.030 4.096 -0.066 25195 3492 1 6 . 1 1 41 41 MET C C 41 179.200 179.200 178.927 0.273 25195 3493 1 6 . 1 1 41 41 MET CA C 41 59.900 59.900 58.687 1.213 25195 3494 1 6 . 1 1 41 41 MET CB C 41 33.600 33.600 32.075 1.525 25195 3495 1 6 . 1 1 41 41 MET H H 41 8.310 8.310 7.804 0.506 25195 3496 1 6 . 1 1 42 42 ILE N N 42 120.600 120.600 119.087 1.513 25195 3497 1 6 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.584 -0.044 25195 3498 1 6 . 1 1 42 42 ILE C C 42 177.600 177.600 177.980 -0.380 25195 3499 1 6 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.090 1.110 25195 3500 1 6 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.249 1.851 25195 3501 1 6 . 1 1 42 42 ILE H H 42 8.260 8.260 8.296 -0.036 25195 3502 1 6 . 1 1 43 43 ARG N N 43 117.200 117.200 119.353 -2.153 25195 3503 1 6 . 1 1 43 43 ARG C C 43 182.100 182.100 178.825 3.275 25195 3504 1 6 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.090 0.010 25195 3505 1 6 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.119 -0.720 25195 3506 1 6 . 1 1 43 43 ARG H H 43 7.810 7.810 8.056 -0.246 25195 3507 1 6 . 1 1 44 44 GLU N N 44 122.200 122.200 117.125 5.075 25195 3508 1 6 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.238 -0.188 25195 3509 1 6 . 1 1 44 44 GLU C C 44 177.600 177.600 177.198 0.402 25195 3510 1 6 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.128 0.972 25195 3511 1 6 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.771 -0.271 25195 3512 1 6 . 1 1 44 44 GLU H H 44 8.670 8.670 8.158 0.512 25195 3513 1 6 . 1 1 45 45 ALA N N 45 120.400 120.400 120.500 -0.100 25195 3514 1 6 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.180 0.240 25195 3515 1 6 . 1 1 45 45 ALA C C 45 177.300 177.300 177.987 -0.687 25195 3516 1 6 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.044 -0.544 25195 3517 1 6 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.539 -1.139 25195 3518 1 6 . 1 1 45 45 ALA H H 45 7.430 7.430 7.677 -0.247 25195 3519 1 6 . 1 1 46 46 GLY N N 46 106.000 106.000 105.541 0.459 25195 3520 1 6 . 1 1 46 46 GLY C C 46 173.800 173.800 173.107 0.693 25195 3521 1 6 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.686 0.614 25195 3522 1 6 . 1 1 46 46 GLY H H 46 8.080 8.080 7.753 0.327 25195 3523 1 6 . 1 1 47 47 ILE N N 47 121.500 121.500 119.021 2.479 25195 3524 1 6 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.401 -0.301 25195 3525 1 6 . 1 1 47 47 ILE C C 47 174.100 174.100 173.582 0.518 25195 3526 1 6 . 1 1 47 47 ILE CA C 47 59.700 59.700 60.156 -0.456 25195 3527 1 6 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.289 -1.189 25195 3528 1 6 . 1 1 47 47 ILE H H 47 7.180 7.180 7.500 -0.320 25195 3529 1 6 . 1 1 48 48 GLU N N 48 127.000 127.000 124.248 2.752 25195 3530 1 6 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.679 0.521 25195 3531 1 6 . 1 1 48 48 GLU CA C 48 51.300 51.300 53.286 -1.986 25195 3532 1 6 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.019 -0.619 25195 3533 1 6 . 1 1 48 48 GLU H H 48 8.440 8.440 8.558 -0.118 25195 3534 1 6 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.631 0.009 25195 3535 1 6 . 1 1 49 49 PRO C C 49 175.200 175.200 176.012 -0.812 25195 3536 1 6 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.533 -0.633 25195 3537 1 6 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.709 -0.009 25195 3538 1 6 . 1 1 50 50 HIS N N 50 119.000 119.000 121.702 -2.702 25195 3539 1 6 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.741 -0.041 25195 3540 1 6 . 1 1 50 50 HIS C C 50 174.200 174.200 174.762 -0.562 25195 3541 1 6 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.615 0.785 25195 3542 1 6 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.294 -2.193 25195 3543 1 6 . 1 1 50 50 HIS H H 50 9.160 9.160 8.906 0.254 25195 3544 1 6 . 1 1 51 51 VAL N N 51 128.400 128.400 125.562 2.838 25195 3545 1 6 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.251 -0.011 25195 3546 1 6 . 1 1 51 51 VAL C C 51 175.600 175.600 174.629 0.971 25195 3547 1 6 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.125 0.075 25195 3548 1 6 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.939 0.261 25195 3549 1 6 . 1 1 51 51 VAL H H 51 8.760 8.760 8.610 0.150 25195 3550 1 6 . 1 1 52 52 ILE N N 52 129.400 129.400 127.958 1.442 25195 3551 1 6 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.301 -0.081 25195 3552 1 6 . 1 1 52 52 ILE C C 52 176.500 176.500 174.935 1.565 25195 3553 1 6 . 1 1 52 52 ILE CA C 52 60.300 60.300 59.094 1.206 25195 3554 1 6 . 1 1 52 52 ILE CB C 52 38.200 38.200 39.667 -1.467 25195 3555 1 6 . 1 1 52 52 ILE H H 52 9.000 9.000 8.847 0.153 25195 3556 1 6 . 1 1 53 53 GLU N N 53 129.900 129.900 127.112 2.788 25195 3557 1 6 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.606 0.524 25195 3558 1 6 . 1 1 53 53 GLU C C 53 174.200 174.200 175.336 -1.136 25195 3559 1 6 . 1 1 53 53 GLU CA C 53 55.900 55.900 54.656 1.244 25195 3560 1 6 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.083 -0.783 25195 3561 1 6 . 1 1 53 53 GLU H H 53 9.180 9.180 8.639 0.541 25195 3562 1 6 . 1 1 54 54 TYR N N 54 124.200 124.200 126.845 -2.645 25195 3563 1 6 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.648 0.552 25195 3564 1 6 . 1 1 54 54 TYR C C 54 174.200 174.200 173.292 0.908 25195 3565 1 6 . 1 1 54 54 TYR CA C 54 54.100 54.100 58.147 -4.047 25195 3566 1 6 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.586 -2.586 25195 3567 1 6 . 1 1 54 54 TYR H H 54 8.460 8.460 8.283 0.177 25195 3568 1 6 . 1 1 55 55 MET N N 55 121.900 121.900 122.837 -0.937 25195 3569 1 6 . 1 1 55 55 MET H H 55 7.660 7.660 7.740 -0.080 25195 3570 1 6 . 1 1 56 56 LYS C C 56 176.700 176.700 175.590 1.110 25195 3571 1 6 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.632 0.268 25195 3572 1 6 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.932 -4.732 25195 3573 1 6 . 1 1 57 57 THR N N 57 114.700 114.700 113.611 1.089 25195 3574 1 6 . 1 1 57 57 THR HA H 57 4.720 4.720 4.106 0.614 25195 3575 1 6 . 1 1 57 57 THR CB C 57 70.500 70.500 67.962 2.538 25195 3576 1 6 . 1 1 57 57 THR H H 57 7.940 7.940 8.413 -0.473 25195 3577 1 6 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.472 0.228 25195 3578 1 6 . 1 1 58 58 PRO C C 58 177.400 177.400 177.082 0.318 25195 3579 1 6 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.618 0.182 25195 3580 1 6 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.057 0.543 25195 3581 1 6 . 1 1 59 59 LEU N N 59 125.300 125.300 123.599 1.701 25195 3582 1 6 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.446 0.134 25195 3583 1 6 . 1 1 59 59 LEU CB C 59 42.300 42.300 40.791 1.509 25195 3584 1 6 . 1 1 59 59 LEU H H 59 8.760 8.760 8.040 0.720 25195 3585 1 6 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.642 -0.132 25195 3586 1 6 . 1 1 60 60 PRO C C 60 178.400 178.400 177.867 0.533 25195 3587 1 6 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.170 -0.070 25195 3588 1 6 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.779 -0.478 25195 3589 1 6 . 1 1 61 61 ARG N N 61 125.800 125.800 120.271 5.529 25195 3590 1 6 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.839 -0.139 25195 3591 1 6 . 1 1 61 61 ARG C C 61 177.800 177.800 177.869 -0.069 25195 3592 1 6 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.994 0.806 25195 3593 1 6 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.362 1.038 25195 3594 1 6 . 1 1 61 61 ARG H H 61 8.980 8.980 8.751 0.229 25195 3595 1 6 . 1 1 62 62 ASP N N 62 113.300 113.300 120.183 -6.883 25195 3596 1 6 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.403 -0.163 25195 3597 1 6 . 1 1 62 62 ASP C C 62 179.100 179.100 178.553 0.547 25195 3598 1 6 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.128 -0.128 25195 3599 1 6 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.389 -0.689 25195 3600 1 6 . 1 1 62 62 ASP H H 62 8.820 8.820 8.401 0.419 25195 3601 1 6 . 1 1 63 63 MET N N 63 118.800 118.800 117.211 1.589 25195 3602 1 6 . 1 1 63 63 MET HA H 63 4.460 4.460 4.155 0.305 25195 3603 1 6 . 1 1 63 63 MET C C 63 177.700 177.700 178.835 -1.135 25195 3604 1 6 . 1 1 63 63 MET CA C 63 57.200 57.200 58.104 -0.904 25195 3605 1 6 . 1 1 63 63 MET CB C 63 32.500 32.500 31.670 0.830 25195 3606 1 6 . 1 1 63 63 MET H H 63 7.340 7.340 8.071 -0.731 25195 3607 1 6 . 1 1 64 64 LEU N N 64 121.000 121.000 120.080 0.920 25195 3608 1 6 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.078 -0.118 25195 3609 1 6 . 1 1 64 64 LEU C C 64 178.000 178.000 178.769 -0.769 25195 3610 1 6 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.074 0.226 25195 3611 1 6 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.391 0.009 25195 3612 1 6 . 1 1 64 64 LEU H H 64 7.570 7.570 7.971 -0.401 25195 3613 1 6 . 1 1 65 65 VAL N N 65 117.200 117.200 120.567 -3.367 25195 3614 1 6 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.525 -0.095 25195 3615 1 6 . 1 1 65 65 VAL C C 65 178.500 178.500 177.862 0.638 25195 3616 1 6 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.802 -0.202 25195 3617 1 6 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.394 0.606 25195 3618 1 6 . 1 1 65 65 VAL H H 65 8.250 8.250 8.098 0.152 25195 3619 1 6 . 1 1 66 66 GLU N N 66 120.200 120.200 119.989 0.211 25195 3620 1 6 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.042 0.298 25195 3621 1 6 . 1 1 66 66 GLU C C 66 178.500 178.500 179.436 -0.936 25195 3622 1 6 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.575 -0.875 25195 3623 1 6 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.632 -0.432 25195 3624 1 6 . 1 1 66 66 GLU H H 66 7.510 7.510 7.858 -0.348 25195 3625 1 6 . 1 1 67 67 LEU N N 67 121.100 121.100 119.343 1.757 25195 3626 1 6 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.078 -0.088 25195 3627 1 6 . 1 1 67 67 LEU C C 67 179.400 179.400 178.947 0.453 25195 3628 1 6 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.802 0.598 25195 3629 1 6 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.268 -0.468 25195 3630 1 6 . 1 1 67 67 LEU H H 67 8.480 8.480 7.931 0.549 25195 3631 1 6 . 1 1 68 68 LEU N N 68 118.500 118.500 117.453 1.047 25195 3632 1 6 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.224 -0.444 25195 3633 1 6 . 1 1 68 68 LEU C C 68 179.100 179.100 178.263 0.837 25195 3634 1 6 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.861 0.839 25195 3635 1 6 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.431 -0.031 25195 3636 1 6 . 1 1 68 68 LEU H H 68 8.250 8.250 8.298 -0.048 25195 3637 1 6 . 1 1 69 69 ARG N N 69 119.200 119.200 118.605 0.595 25195 3638 1 6 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.289 -0.239 25195 3639 1 6 . 1 1 69 69 ARG C C 69 180.400 180.400 178.000 2.400 25195 3640 1 6 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.349 1.151 25195 3641 1 6 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.188 -0.088 25195 3642 1 6 . 1 1 69 69 ARG H H 69 7.950 7.950 8.454 -0.504 25195 3643 1 6 . 1 1 70 70 GLN N N 70 118.500 118.500 117.198 1.302 25195 3644 1 6 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.163 -0.133 25195 3645 1 6 . 1 1 70 70 GLN C C 70 179.900 179.900 178.032 1.868 25195 3646 1 6 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.674 1.226 25195 3647 1 6 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.465 0.935 25195 3648 1 6 . 1 1 70 70 GLN H H 70 8.450 8.450 7.758 0.692 25195 3649 1 6 . 1 1 71 71 MET N N 71 117.500 117.500 119.872 -2.372 25195 3650 1 6 . 1 1 71 71 MET HA H 71 4.140 4.140 4.041 0.099 25195 3651 1 6 . 1 1 71 71 MET C C 71 175.200 175.200 176.451 -1.251 25195 3652 1 6 . 1 1 71 71 MET CA C 71 58.200 58.200 58.509 -0.309 25195 3653 1 6 . 1 1 71 71 MET CB C 71 36.200 36.200 32.900 3.300 25195 3654 1 6 . 1 1 71 71 MET H H 71 8.380 8.380 7.853 0.527 25195 3655 1 6 . 1 1 72 72 ALA N N 72 120.400 120.400 117.674 2.726 25195 3656 1 6 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.521 -0.491 25195 3657 1 6 . 1 1 72 72 ALA C C 72 176.600 176.600 176.923 -0.323 25195 3658 1 6 . 1 1 72 72 ALA CA C 72 52.800 52.800 51.997 0.803 25195 3659 1 6 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.623 -5.123 25195 3660 1 6 . 1 1 72 72 ALA H H 72 8.100 8.100 7.471 0.629 25195 3661 1 6 . 1 1 73 73 ILE N N 73 108.600 108.600 115.090 -6.490 25195 3662 1 6 . 1 1 73 73 ILE C C 73 174.700 174.700 174.513 0.187 25195 3663 1 6 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.694 0.206 25195 3664 1 6 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.186 2.414 25195 3665 1 6 . 1 1 73 73 ILE H H 73 7.240 7.240 8.003 -0.763 25195 3666 1 6 . 1 1 74 74 SER N N 74 116.500 116.500 117.872 -1.372 25195 3667 1 6 . 1 1 74 74 SER HA H 74 4.780 4.780 4.541 0.239 25195 3668 1 6 . 1 1 74 74 SER CA C 74 55.900 55.900 59.036 -3.136 25195 3669 1 6 . 1 1 74 74 SER CB C 74 63.500 63.500 63.009 0.491 25195 3670 1 6 . 1 1 74 74 SER H H 74 8.290 8.290 8.603 -0.313 25195 3671 1 6 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.339 0.421 25195 3672 1 6 . 1 1 75 75 PRO C C 75 178.200 178.200 178.273 -0.073 25195 3673 1 6 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.346 1.254 25195 3674 1 6 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.968 0.132 25195 3675 1 6 . 1 1 76 76 ARG N N 76 114.400 114.400 120.318 -5.918 25195 3676 1 6 . 1 1 76 76 ARG C C 76 178.100 178.100 175.664 2.436 25195 3677 1 6 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.557 1.443 25195 3678 1 6 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.967 -0.567 25195 3679 1 6 . 1 1 76 76 ARG H H 76 8.340 8.340 8.542 -0.202 25195 3680 1 6 . 1 1 77 77 ALA N N 77 119.400 119.400 117.798 1.602 25195 3681 1 6 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.507 -0.277 25195 3682 1 6 . 1 1 77 77 ALA C C 77 178.100 178.100 176.774 1.326 25195 3683 1 6 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.059 2.741 25195 3684 1 6 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.964 -0.364 25195 3685 1 6 . 1 1 77 77 ALA H H 77 7.720 7.720 7.524 0.196 25195 3686 1 6 . 1 1 78 78 LEU N N 78 119.400 119.400 120.262 -0.862 25195 3687 1 6 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.388 -0.008 25195 3688 1 6 . 1 1 78 78 LEU C C 78 174.800 174.800 176.719 -1.919 25195 3689 1 6 . 1 1 78 78 LEU CA C 78 52.900 52.900 54.997 -2.097 25195 3690 1 6 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.322 0.778 25195 3691 1 6 . 1 1 78 78 LEU H H 78 7.610 7.610 7.345 0.265 25195 3692 1 6 . 1 1 79 79 LEU N N 79 118.700 118.700 120.512 -1.812 25195 3693 1 6 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.959 0.691 25195 3694 1 6 . 1 1 79 79 LEU C C 79 178.900 178.900 176.789 2.111 25195 3695 1 6 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.839 0.261 25195 3696 1 6 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.519 5.081 25195 3697 1 6 . 1 1 79 79 LEU H H 79 7.220 7.220 7.722 -0.502 25195 3698 1 6 . 1 1 80 80 ARG N N 80 124.000 124.000 124.951 -0.951 25195 3699 1 6 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.021 0.199 25195 3700 1 6 . 1 1 80 80 ARG C C 80 174.800 174.800 176.619 -1.819 25195 3701 1 6 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.709 -0.509 25195 3702 1 6 . 1 1 80 80 ARG CB C 80 30.700 30.700 31.382 -0.682 25195 3703 1 6 . 1 1 80 80 ARG H H 80 8.780 8.780 8.155 0.625 25195 3704 1 6 . 1 1 81 81 ALA N N 81 124.400 124.400 123.911 0.489 25195 3705 1 6 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.206 -1.716 25195 3706 1 6 . 1 1 81 81 ALA C C 81 177.600 177.600 178.348 -0.748 25195 3707 1 6 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.675 -1.975 25195 3708 1 6 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.912 -0.312 25195 3709 1 6 . 1 1 81 81 ALA H H 81 7.420 7.420 8.546 -1.126 25195 3710 1 6 . 1 1 82 82 LYS N N 82 114.500 114.500 117.246 -2.746 25195 3711 1 6 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.101 0.149 25195 3712 1 6 . 1 1 82 82 LYS C C 82 177.700 177.700 178.133 -0.433 25195 3713 1 6 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.312 -2.513 25195 3714 1 6 . 1 1 82 82 LYS CB C 82 31.400 31.400 31.963 -0.563 25195 3715 1 6 . 1 1 82 82 LYS H H 82 8.190 8.190 8.235 -0.045 25195 3716 1 6 . 1 1 83 83 GLU N N 83 118.700 118.700 119.462 -0.762 25195 3717 1 6 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.373 -0.173 25195 3718 1 6 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.046 0.754 25195 3719 1 6 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.147 2.153 25195 3720 1 6 . 1 1 83 83 GLU H H 83 7.120 7.120 7.796 -0.676 25195 3721 1 6 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.896 0.314 25195 3722 1 6 . 1 1 84 84 ALA C C 84 180.900 180.900 179.039 1.861 25195 3723 1 6 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.779 -0.079 25195 3724 1 6 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.694 -0.894 25195 3725 1 6 . 1 1 85 85 ARG N N 85 115.800 115.800 118.355 -2.555 25195 3726 1 6 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.948 0.112 25195 3727 1 6 . 1 1 85 85 ARG C C 85 178.200 178.200 178.401 -0.201 25195 3728 1 6 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.524 -1.624 25195 3729 1 6 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.230 0.670 25195 3730 1 6 . 1 1 85 85 ARG H H 85 9.280 9.280 8.251 1.029 25195 3731 1 6 . 1 1 86 86 TYR N N 86 118.300 118.300 120.764 -2.464 25195 3732 1 6 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.066 -0.226 25195 3733 1 6 . 1 1 86 86 TYR C C 86 176.500 176.500 176.655 -0.155 25195 3734 1 6 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.629 -0.429 25195 3735 1 6 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.621 0.579 25195 3736 1 6 . 1 1 86 86 TYR H H 86 7.270 7.270 8.689 -1.419 25195 3737 1 6 . 1 1 87 87 ALA N N 87 120.500 120.500 119.842 0.658 25195 3738 1 6 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.608 0.732 25195 3739 1 6 . 1 1 87 87 ALA C C 87 181.900 181.900 180.324 1.576 25195 3740 1 6 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.931 0.469 25195 3741 1 6 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.950 0.450 25195 3742 1 6 . 1 1 87 87 ALA H H 87 7.110 7.110 7.663 -0.553 25195 3743 1 6 . 1 1 88 88 GLU N N 88 119.500 119.500 120.083 -0.583 25195 3744 1 6 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.007 -0.027 25195 3745 1 6 . 1 1 88 88 GLU C C 88 178.800 178.800 178.490 0.310 25195 3746 1 6 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.812 0.488 25195 3747 1 6 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.515 0.985 25195 3748 1 6 . 1 1 88 88 GLU H H 88 8.240 8.240 8.127 0.113 25195 3749 1 6 . 1 1 89 89 LEU N N 89 115.100 115.100 117.198 -2.098 25195 3750 1 6 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.209 0.071 25195 3751 1 6 . 1 1 89 89 LEU C C 89 176.900 176.900 177.442 -0.542 25195 3752 1 6 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.554 -1.054 25195 3753 1 6 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.319 0.481 25195 3754 1 6 . 1 1 89 89 LEU H H 89 7.430 7.430 7.900 -0.470 25195 3755 1 6 . 1 1 90 90 GLY N N 90 108.200 108.200 105.948 2.252 25195 3756 1 6 . 1 1 90 90 GLY C C 90 176.900 176.900 175.818 1.082 25195 3757 1 6 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.571 1.429 25195 3758 1 6 . 1 1 90 90 GLY H H 90 7.690 7.690 7.693 -0.003 25195 3759 1 6 . 1 1 91 91 LEU N N 91 113.000 113.000 120.016 -7.016 25195 3760 1 6 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.037 -0.267 25195 3761 1 6 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.484 -1.784 25195 3762 1 6 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.178 -1.878 25195 3763 1 6 . 1 1 91 91 LEU H H 91 7.000 7.000 7.402 -0.402 25195 3764 1 6 . 1 1 92 92 ASP N N 92 117.000 117.000 115.399 1.601 25195 3765 1 6 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.447 -0.007 25195 3766 1 6 . 1 1 92 92 ASP C C 92 175.400 175.400 176.555 -1.155 25195 3767 1 6 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.056 -0.256 25195 3768 1 6 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.161 0.539 25195 3769 1 6 . 1 1 92 92 ASP H H 92 8.510 8.510 7.859 0.651 25195 3770 1 6 . 1 1 93 93 ASP N N 93 120.600 120.600 121.514 -0.914 25195 3771 1 6 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.611 -0.031 25195 3772 1 6 . 1 1 93 93 ASP C C 93 176.000 176.000 176.929 -0.929 25195 3773 1 6 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.478 -1.378 25195 3774 1 6 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.874 0.626 25195 3775 1 6 . 1 1 93 93 ASP H H 93 7.000 7.000 7.711 -0.711 25195 3776 1 6 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.275 0.025 25195 3777 1 6 . 1 1 94 94 PRO C C 94 178.100 178.100 177.142 0.958 25195 3778 1 6 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.166 -0.366 25195 3779 1 6 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.050 0.150 25195 3780 1 6 . 1 1 95 95 ALA N N 95 121.900 121.900 119.251 2.649 25195 3781 1 6 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.215 0.056 25195 3782 1 6 . 1 1 95 95 ALA C C 95 178.400 178.400 177.372 1.028 25195 3783 1 6 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.070 0.430 25195 3784 1 6 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.542 0.658 25195 3785 1 6 . 1 1 95 95 ALA H H 95 8.610 8.610 8.042 0.568 25195 3786 1 6 . 1 1 96 96 LEU N N 96 117.600 117.600 119.105 -1.505 25195 3787 1 6 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.288 -0.118 25195 3788 1 6 . 1 1 96 96 LEU C C 96 177.600 177.600 175.937 1.663 25195 3789 1 6 . 1 1 96 96 LEU CA C 96 55.500 55.500 54.961 0.539 25195 3790 1 6 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.694 -0.294 25195 3791 1 6 . 1 1 96 96 LEU H H 96 7.010 7.010 7.294 -0.284 25195 3792 1 6 . 1 1 97 97 SER N N 97 119.200 119.200 111.792 7.408 25195 3793 1 6 . 1 1 97 97 SER HA H 97 4.360 4.360 4.686 -0.326 25195 3794 1 6 . 1 1 97 97 SER C C 97 174.400 174.400 174.292 0.108 25195 3795 1 6 . 1 1 97 97 SER CA C 97 57.300 57.300 57.209 0.091 25195 3796 1 6 . 1 1 97 97 SER CB C 97 64.900 64.900 66.105 -1.205 25195 3797 1 6 . 1 1 97 97 SER H H 97 8.620 8.620 8.072 0.548 25195 3798 1 6 . 1 1 98 98 ASP N N 98 122.000 122.000 124.086 -2.086 25195 3799 1 6 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.399 -0.129 25195 3800 1 6 . 1 1 98 98 ASP C C 98 178.100 178.100 178.408 -0.308 25195 3801 1 6 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.375 0.425 25195 3802 1 6 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.640 -0.540 25195 3803 1 6 . 1 1 98 98 ASP H H 98 9.050 9.050 8.818 0.233 25195 3804 1 6 . 1 1 99 99 GLU N N 99 116.100 116.100 119.108 -3.008 25195 3805 1 6 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.030 -0.240 25195 3806 1 6 . 1 1 99 99 GLU C C 99 176.800 176.800 178.817 -2.017 25195 3807 1 6 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.529 0.371 25195 3808 1 6 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.250 -0.050 25195 3809 1 6 . 1 1 99 99 GLU H H 99 8.250 8.250 8.695 -0.445 25195 3810 1 6 . 1 1 100 100 VAL N N 100 118.000 118.000 117.903 0.097 25195 3811 1 6 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.854 -0.044 25195 3812 1 6 . 1 1 100 100 VAL C C 100 179.200 179.200 177.795 1.405 25195 3813 1 6 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.229 0.371 25195 3814 1 6 . 1 1 100 100 VAL CB C 100 31.400 31.400 30.895 0.505 25195 3815 1 6 . 1 1 100 100 VAL H H 100 7.290 7.290 7.527 -0.237 25195 3816 1 6 . 1 1 101 101 LEU N N 101 120.100 120.100 120.690 -0.590 25195 3817 1 6 . 1 1 101 101 LEU HA H 101 3.950 3.950 3.987 -0.037 25195 3818 1 6 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.164 -0.064 25195 3819 1 6 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.780 0.720 25195 3820 1 6 . 1 1 101 101 LEU H H 101 7.610 7.610 7.821 -0.211 25195 3821 1 6 . 1 1 102 102 ILE N N 102 118.900 118.900 119.664 -0.764 25195 3822 1 6 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.534 -0.114 25195 3823 1 6 . 1 1 102 102 ILE C C 102 177.700 177.700 177.780 -0.080 25195 3824 1 6 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.307 0.093 25195 3825 1 6 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.629 0.871 25195 3826 1 6 . 1 1 102 102 ILE H H 102 8.260 8.260 8.588 -0.328 25195 3827 1 6 . 1 1 103 103 ASP N N 103 118.000 118.000 120.237 -2.237 25195 3828 1 6 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.204 0.116 25195 3829 1 6 . 1 1 103 103 ASP C C 103 179.400 179.400 177.328 2.072 25195 3830 1 6 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.508 0.292 25195 3831 1 6 . 1 1 103 103 ASP CB C 103 40.100 40.100 41.145 -1.045 25195 3832 1 6 . 1 1 103 103 ASP H H 103 8.080 8.080 8.011 0.069 25195 3833 1 6 . 1 1 104 104 ALA N N 104 121.500 121.500 120.596 0.904 25195 3834 1 6 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.055 0.015 25195 3835 1 6 . 1 1 104 104 ALA C C 104 179.900 179.900 179.572 0.328 25195 3836 1 6 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.730 0.670 25195 3837 1 6 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.967 -1.267 25195 3838 1 6 . 1 1 104 104 ALA H H 104 8.210 8.210 7.898 0.312 25195 3839 1 6 . 1 1 105 105 MET N N 105 115.800 115.800 119.328 -3.528 25195 3840 1 6 . 1 1 105 105 MET HA H 105 3.940 3.940 4.130 -0.190 25195 3841 1 6 . 1 1 105 105 MET C C 105 176.700 176.700 178.426 -1.726 25195 3842 1 6 . 1 1 105 105 MET CA C 105 59.500 59.500 58.987 0.513 25195 3843 1 6 . 1 1 105 105 MET CB C 105 35.400 35.400 32.984 2.416 25195 3844 1 6 . 1 1 105 105 MET H H 105 7.520 7.520 7.768 -0.248 25195 3845 1 6 . 1 1 106 106 ILE N N 106 118.100 118.100 115.889 2.211 25195 3846 1 6 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.884 0.136 25195 3847 1 6 . 1 1 106 106 ILE C C 106 178.200 178.200 177.285 0.915 25195 3848 1 6 . 1 1 106 106 ILE CA C 106 62.000 62.000 62.954 -0.954 25195 3849 1 6 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.855 -0.155 25195 3850 1 6 . 1 1 106 106 ILE H H 106 7.730 7.730 8.438 -0.708 25195 3851 1 6 . 1 1 107 107 SER N N 107 112.400 112.400 113.143 -0.743 25195 3852 1 6 . 1 1 107 107 SER HA H 107 4.340 4.340 4.435 -0.095 25195 3853 1 6 . 1 1 107 107 SER C C 107 174.800 174.800 174.632 0.168 25195 3854 1 6 . 1 1 107 107 SER CA C 107 60.400 60.400 58.929 1.471 25195 3855 1 6 . 1 1 107 107 SER CB C 107 64.000 64.000 64.308 -0.308 25195 3856 1 6 . 1 1 107 107 SER H H 107 8.160 8.160 7.349 0.811 25195 3857 1 6 . 1 1 108 108 ASN N N 108 116.400 116.400 120.834 -4.434 25195 3858 1 6 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.016 0.274 25195 3859 1 6 . 1 1 108 108 ASN CA C 108 51.100 51.100 51.614 -0.514 25195 3860 1 6 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.630 1.570 25195 3861 1 6 . 1 1 108 108 ASN H H 108 7.700 7.700 7.712 -0.012 25195 3862 1 6 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.353 0.417 25195 3863 1 6 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.935 0.865 25195 3864 1 6 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.746 0.454 25195 3865 1 6 . 1 1 110 110 VAL N N 110 119.100 119.100 113.456 5.644 25195 3866 1 6 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.881 0.169 25195 3867 1 6 . 1 1 110 110 VAL C C 110 175.200 175.200 176.346 -1.146 25195 3868 1 6 . 1 1 110 110 VAL CA C 110 64.600 64.600 64.042 0.558 25195 3869 1 6 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.873 0.327 25195 3870 1 6 . 1 1 110 110 VAL H H 110 8.280 8.280 7.691 0.589 25195 3871 1 6 . 1 1 111 111 LEU N N 111 115.200 115.200 113.686 1.514 25195 3872 1 6 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.582 -0.182 25195 3873 1 6 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.003 2.197 25195 3874 1 6 . 1 1 111 111 LEU H H 111 8.420 8.420 7.304 1.116 25195 3875 1 6 . 1 1 112 112 MET N N 112 118.900 118.900 120.669 -1.769 25195 3876 1 6 . 1 1 112 112 MET HA H 112 4.060 4.060 4.266 -0.206 25195 3877 1 6 . 1 1 112 112 MET CA C 112 56.500 56.500 56.464 0.036 25195 3878 1 6 . 1 1 112 112 MET CB C 112 35.600 35.600 31.772 3.828 25195 3879 1 6 . 1 1 112 112 MET H H 112 7.940 7.940 7.732 0.208 25195 3880 1 6 . 1 1 113 113 ASN N N 113 125.800 125.800 123.194 2.606 25195 3881 1 6 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.776 -0.136 25195 3882 1 6 . 1 1 113 113 ASN C C 113 170.700 170.700 175.837 -5.137 25195 3883 1 6 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.222 -1.022 25195 3884 1 6 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.728 -1.828 25195 3885 1 6 . 1 1 113 113 ASN H H 113 9.140 9.140 8.369 0.771 25195 3886 1 6 . 1 1 114 114 ARG N N 114 113.200 113.200 120.493 -7.293 25195 3887 1 6 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.305 -4.505 25195 3888 1 6 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.195 2.606 25195 3889 1 6 . 1 1 114 114 ARG H H 114 7.970 7.970 8.343 -0.373 25195 3890 1 6 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.819 0.001 25195 3891 1 6 . 1 1 115 115 PRO C C 115 175.400 175.400 175.959 -0.559 25195 3892 1 6 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.894 -0.294 25195 3893 1 6 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.142 2.258 25195 3894 1 6 . 1 1 116 116 VAL N N 116 124.500 124.500 125.692 -1.192 25195 3895 1 6 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.481 0.599 25195 3896 1 6 . 1 1 116 116 VAL C C 116 174.500 174.500 173.990 0.510 25195 3897 1 6 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.310 1.190 25195 3898 1 6 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.906 -2.906 25195 3899 1 6 . 1 1 116 116 VAL H H 116 7.840 7.840 8.965 -1.125 25195 3900 1 6 . 1 1 117 117 VAL N N 117 128.000 128.000 127.515 0.485 25195 3901 1 6 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.490 0.290 25195 3902 1 6 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.801 1.199 25195 3903 1 6 . 1 1 117 117 VAL CB C 117 34.800 34.800 33.678 1.122 25195 3904 1 6 . 1 1 117 117 VAL H H 117 8.670 8.670 9.222 -0.552 25195 3905 1 6 . 1 1 118 118 VAL N N 118 125.700 125.700 130.195 -4.495 25195 3906 1 6 . 1 1 118 118 VAL C C 118 175.700 175.700 174.578 1.122 25195 3907 1 6 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.646 -0.446 25195 3908 1 6 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.149 2.851 25195 3909 1 6 . 1 1 118 118 VAL H H 118 9.110 9.110 9.204 -0.094 25195 3910 1 6 . 1 1 119 119 THR N N 119 118.500 118.500 119.211 -0.711 25195 3911 1 6 . 1 1 119 119 THR HA H 119 5.490 5.490 4.946 0.544 25195 3912 1 6 . 1 1 119 119 THR CA C 119 58.800 58.800 58.724 0.076 25195 3913 1 6 . 1 1 119 119 THR CB C 119 69.800 69.800 70.451 -0.651 25195 3914 1 6 . 1 1 119 119 THR H H 119 9.370 9.370 8.714 0.656 25195 3915 1 6 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.472 0.008 25195 3916 1 6 . 1 1 120 120 PRO C C 120 177.800 177.800 177.032 0.768 25195 3917 1 6 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.615 0.485 25195 3918 1 6 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.735 0.565 25195 3919 1 6 . 1 1 121 121 LYS N N 121 113.600 113.600 118.798 -5.198 25195 3920 1 6 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.506 -0.246 25195 3921 1 6 . 1 1 121 121 LYS C C 121 176.400 176.400 175.068 1.332 25195 3922 1 6 . 1 1 121 121 LYS CA C 121 57.200 57.200 54.446 2.754 25195 3923 1 6 . 1 1 121 121 LYS CB C 121 33.800 33.800 34.071 -0.271 25195 3924 1 6 . 1 1 121 121 LYS H H 121 8.360 8.360 8.181 0.179 25195 3925 1 6 . 1 1 122 122 GLY N N 122 108.400 108.400 105.687 2.713 25195 3926 1 6 . 1 1 122 122 GLY C C 122 169.500 169.500 171.806 -2.306 25195 3927 1 6 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.057 0.043 25195 3928 1 6 . 1 1 122 122 GLY H H 122 7.900 7.900 7.472 0.428 25195 3929 1 6 . 1 1 123 123 VAL N N 123 117.100 117.100 120.165 -3.065 25195 3930 1 6 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.119 0.341 25195 3931 1 6 . 1 1 123 123 VAL C C 123 176.100 176.100 175.015 1.085 25195 3932 1 6 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.584 -0.584 25195 3933 1 6 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.145 -0.345 25195 3934 1 6 . 1 1 123 123 VAL H H 123 8.080 8.080 8.535 -0.455 25195 3935 1 6 . 1 1 124 124 ARG N N 124 122.300 122.300 121.308 0.992 25195 3936 1 6 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.561 0.099 25195 3937 1 6 . 1 1 124 124 ARG C C 124 174.800 174.800 173.661 1.139 25195 3938 1 6 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.719 -0.319 25195 3939 1 6 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.613 1.287 25195 3940 1 6 . 1 1 124 124 ARG H H 124 8.510 8.510 8.613 -0.103 25195 3941 1 6 . 1 1 125 125 LEU N N 125 125.500 125.500 122.487 3.013 25195 3942 1 6 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.302 0.298 25195 3943 1 6 . 1 1 125 125 LEU C C 125 176.500 176.500 178.641 -2.141 25195 3944 1 6 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.194 -1.494 25195 3945 1 6 . 1 1 125 125 LEU CB C 125 40.900 40.900 41.235 -0.335 25195 3946 1 6 . 1 1 125 125 LEU H H 125 8.860 8.860 8.734 0.126 25195 3947 1 6 . 1 1 126 126 CYS N N 126 129.700 129.700 123.658 6.042 25195 3948 1 6 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.191 0.299 25195 3949 1 6 . 1 1 126 126 CYS C C 126 172.000 172.000 174.176 -2.176 25195 3950 1 6 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.821 0.079 25195 3951 1 6 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.521 -0.221 25195 3952 1 6 . 1 1 126 126 CYS H H 126 8.540 8.540 8.809 -0.269 25195 3953 1 6 . 1 1 127 127 ARG N N 127 117.500 117.500 119.316 -1.816 25195 3954 1 6 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.685 -0.495 25195 3955 1 6 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.505 -0.305 25195 3956 1 6 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.564 1.836 25195 3957 1 6 . 1 1 127 127 ARG H H 127 6.930 6.930 7.168 -0.238 25195 3958 1 6 . 1 1 128 128 PRO C C 128 177.100 177.100 177.839 -0.739 25195 3959 1 6 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.120 1.080 25195 3960 1 6 . 1 1 128 128 PRO CB C 128 35.300 35.300 33.151 2.149 25195 3961 1 6 . 1 1 129 129 ALA N N 129 124.000 124.000 120.475 3.525 25195 3962 1 6 . 1 1 129 129 ALA HA H 129 3.850 3.850 3.924 -0.074 25195 3963 1 6 . 1 1 129 129 ALA C C 129 177.700 177.700 179.902 -2.202 25195 3964 1 6 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.986 0.214 25195 3965 1 6 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.597 1.303 25195 3966 1 6 . 1 1 129 129 ALA H H 129 9.320 9.320 8.720 0.600 25195 3967 1 6 . 1 1 130 130 GLU N N 130 111.600 111.600 117.929 -6.329 25195 3968 1 6 . 1 1 130 130 GLU HA H 130 3.840 3.840 3.963 -0.123 25195 3969 1 6 . 1 1 130 130 GLU C C 130 178.200 178.200 178.690 -0.490 25195 3970 1 6 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.848 0.652 25195 3971 1 6 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.136 -1.036 25195 3972 1 6 . 1 1 130 130 GLU H H 130 9.490 9.490 8.778 0.712 25195 3973 1 6 . 1 1 131 131 THR N N 131 116.100 116.100 114.628 1.472 25195 3974 1 6 . 1 1 131 131 THR HA H 131 4.040 4.040 4.007 0.033 25195 3975 1 6 . 1 1 131 131 THR C C 131 175.800 175.800 176.375 -0.575 25195 3976 1 6 . 1 1 131 131 THR CA C 131 65.600 65.600 65.377 0.223 25195 3977 1 6 . 1 1 131 131 THR CB C 131 69.800 69.800 68.314 1.486 25195 3978 1 6 . 1 1 131 131 THR H H 131 7.940 7.940 7.692 0.248 25195 3979 1 6 . 1 1 132 132 VAL N N 132 119.200 119.200 122.042 -2.842 25195 3980 1 6 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.702 0.178 25195 3981 1 6 . 1 1 132 132 VAL C C 132 176.500 176.500 177.636 -1.136 25195 3982 1 6 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.851 -1.751 25195 3983 1 6 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.669 0.731 25195 3984 1 6 . 1 1 132 132 VAL H H 132 8.130 8.130 7.690 0.440 25195 3985 1 6 . 1 1 133 133 GLN N N 133 118.500 118.500 118.798 -0.298 25195 3986 1 6 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.044 -0.194 25195 3987 1 6 . 1 1 133 133 GLN C C 133 178.500 178.500 178.148 0.352 25195 3988 1 6 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.621 0.179 25195 3989 1 6 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.336 -0.336 25195 3990 1 6 . 1 1 133 133 GLN H H 133 7.690 7.690 7.865 -0.175 25195 3991 1 6 . 1 1 134 134 GLU N N 134 115.200 115.200 118.033 -2.833 25195 3992 1 6 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.131 0.009 25195 3993 1 6 . 1 1 134 134 GLU C C 134 177.000 177.000 178.094 -1.094 25195 3994 1 6 . 1 1 134 134 GLU CA C 134 57.800 57.800 58.026 -0.226 25195 3995 1 6 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.962 -0.062 25195 3996 1 6 . 1 1 134 134 GLU H H 134 7.620 7.620 7.823 -0.203 25195 3997 1 6 . 1 1 135 135 LEU N N 135 115.600 115.600 118.481 -2.881 25195 3998 1 6 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.214 0.006 25195 3999 1 6 . 1 1 135 135 LEU C C 135 176.100 176.100 176.613 -0.513 25195 4000 1 6 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.751 -2.950 25195 4001 1 6 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.849 0.451 25195 4002 1 6 . 1 1 135 135 LEU H H 135 7.740 7.740 7.760 -0.020 25195 4003 1 7 . 1 1 9 9 MET C C 9 176.700 176.700 174.350 2.350 25195 4004 1 7 . 1 1 9 9 MET CA C 9 55.600 55.600 55.583 0.017 25195 4005 1 7 . 1 1 9 9 MET CB C 9 32.700 32.700 33.426 -0.726 25195 4006 1 7 . 1 1 10 10 GLY N N 10 109.800 109.800 113.284 -3.484 25195 4007 1 7 . 1 1 10 10 GLY C C 10 174.400 174.400 172.718 1.682 25195 4008 1 7 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.063 0.237 25195 4009 1 7 . 1 1 10 10 GLY H H 10 8.480 8.480 8.370 0.110 25195 4010 1 7 . 1 1 11 11 THR N N 11 113.500 113.500 113.623 -0.123 25195 4011 1 7 . 1 1 11 11 THR HA H 11 4.330 4.330 4.719 -0.389 25195 4012 1 7 . 1 1 11 11 THR CA C 11 62.100 62.100 61.177 0.923 25195 4013 1 7 . 1 1 11 11 THR CB C 11 69.900 69.900 70.706 -0.806 25195 4014 1 7 . 1 1 11 11 THR H H 11 8.080 8.080 7.855 0.225 25195 4015 1 7 . 1 1 12 12 LEU N N 12 123.900 123.900 119.992 3.908 25195 4016 1 7 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.972 -0.662 25195 4017 1 7 . 1 1 12 12 LEU C C 12 177.700 177.700 174.954 2.746 25195 4018 1 7 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.312 1.488 25195 4019 1 7 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.163 -1.962 25195 4020 1 7 . 1 1 12 12 LEU H H 12 8.390 8.390 8.266 0.124 25195 4021 1 7 . 1 1 13 13 GLU N N 13 121.300 121.300 119.420 1.880 25195 4022 1 7 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.394 -0.194 25195 4023 1 7 . 1 1 13 13 GLU C C 13 176.500 176.500 174.413 2.087 25195 4024 1 7 . 1 1 13 13 GLU CA C 13 57.100 57.100 56.807 0.293 25195 4025 1 7 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.928 -2.028 25195 4026 1 7 . 1 1 13 13 GLU H H 13 8.430 8.430 8.039 0.391 25195 4027 1 7 . 1 1 14 14 ALA N N 14 124.100 124.100 125.361 -1.261 25195 4028 1 7 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.613 -0.343 25195 4029 1 7 . 1 1 14 14 ALA C C 14 177.900 177.900 175.167 2.733 25195 4030 1 7 . 1 1 14 14 ALA CA C 14 52.800 52.800 52.182 0.618 25195 4031 1 7 . 1 1 14 14 ALA CB C 14 19.200 19.200 21.729 -2.529 25195 4032 1 7 . 1 1 14 14 ALA H H 14 8.270 8.270 8.536 -0.266 25195 4033 1 7 . 1 1 15 15 GLN N N 15 118.900 118.900 120.167 -1.267 25195 4034 1 7 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.492 -0.252 25195 4035 1 7 . 1 1 15 15 GLN C C 15 176.500 176.500 174.127 2.373 25195 4036 1 7 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.626 0.174 25195 4037 1 7 . 1 1 15 15 GLN CB C 15 29.400 29.400 31.211 -1.811 25195 4038 1 7 . 1 1 15 15 GLN H H 15 8.360 8.360 8.514 -0.154 25195 4039 1 7 . 1 1 16 16 THR N N 16 114.900 114.900 118.228 -3.328 25195 4040 1 7 . 1 1 16 16 THR HA H 16 4.360 4.360 4.639 -0.279 25195 4041 1 7 . 1 1 16 16 THR C C 16 174.600 174.600 172.747 1.853 25195 4042 1 7 . 1 1 16 16 THR CA C 16 61.900 61.900 61.172 0.728 25195 4043 1 7 . 1 1 16 16 THR CB C 16 69.800 69.800 70.353 -0.553 25195 4044 1 7 . 1 1 16 16 THR H H 16 8.190 8.190 8.161 0.029 25195 4045 1 7 . 1 1 17 17 GLN N N 17 122.100 122.100 120.714 1.386 25195 4046 1 7 . 1 1 17 17 GLN C C 17 176.100 176.100 175.160 0.940 25195 4047 1 7 . 1 1 17 17 GLN CA C 17 55.700 55.700 54.328 1.373 25195 4048 1 7 . 1 1 17 17 GLN CB C 17 29.700 29.700 32.042 -2.342 25195 4049 1 7 . 1 1 17 17 GLN H H 17 8.440 8.440 8.499 -0.059 25195 4050 1 7 . 1 1 18 18 GLY N N 18 110.100 110.100 108.640 1.460 25195 4051 1 7 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.895 -0.195 25195 4052 1 7 . 1 1 18 18 GLY H H 18 8.370 8.370 8.228 0.142 25195 4053 1 7 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.609 -0.169 25195 4054 1 7 . 1 1 19 19 PRO C C 19 177.700 177.700 177.635 0.065 25195 4055 1 7 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.615 1.085 25195 4056 1 7 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.419 -0.019 25195 4057 1 7 . 1 1 20 20 GLY N N 20 109.200 109.200 106.192 3.008 25195 4058 1 7 . 1 1 20 20 GLY C C 20 174.400 174.400 174.333 0.067 25195 4059 1 7 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.750 0.650 25195 4060 1 7 . 1 1 20 20 GLY H H 20 8.620 8.620 8.114 0.506 25195 4061 1 7 . 1 1 21 21 SER N N 21 115.000 115.000 114.042 0.958 25195 4062 1 7 . 1 1 21 21 SER HA H 21 4.420 4.420 4.362 0.058 25195 4063 1 7 . 1 1 21 21 SER C C 21 174.600 174.600 174.177 0.423 25195 4064 1 7 . 1 1 21 21 SER CA C 21 58.600 58.600 58.648 -0.048 25195 4065 1 7 . 1 1 21 21 SER CB C 21 64.100 64.100 62.853 1.247 25195 4066 1 7 . 1 1 21 21 SER H H 21 8.180 8.180 8.155 0.025 25195 4067 1 7 . 1 1 22 22 MET N N 22 121.500 121.500 120.147 1.353 25195 4068 1 7 . 1 1 22 22 MET HA H 22 4.440 4.440 4.594 -0.154 25195 4069 1 7 . 1 1 22 22 MET C C 22 175.100 175.100 175.409 -0.309 25195 4070 1 7 . 1 1 22 22 MET CA C 22 55.600 55.600 55.801 -0.201 25195 4071 1 7 . 1 1 22 22 MET CB C 22 33.600 33.600 33.224 0.376 25195 4072 1 7 . 1 1 22 22 MET H H 22 8.340 8.340 7.665 0.675 25195 4073 1 7 . 1 1 23 23 ASP N N 23 123.000 123.000 121.052 1.948 25195 4074 1 7 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.881 -0.271 25195 4075 1 7 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.006 0.794 25195 4076 1 7 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.043 0.657 25195 4077 1 7 . 1 1 23 23 ASP H H 23 8.170 8.170 8.562 -0.392 25195 4078 1 7 . 1 1 24 24 VAL N N 24 123.200 123.200 116.255 6.945 25195 4079 1 7 . 1 1 24 24 VAL HA H 24 5.040 5.040 5.036 0.004 25195 4080 1 7 . 1 1 24 24 VAL C C 24 174.900 174.900 174.226 0.674 25195 4081 1 7 . 1 1 24 24 VAL CA C 24 60.900 60.900 59.913 0.987 25195 4082 1 7 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.251 0.849 25195 4083 1 7 . 1 1 24 24 VAL H H 24 8.210 8.210 7.945 0.265 25195 4084 1 7 . 1 1 25 25 THR N N 25 124.200 124.200 122.820 1.380 25195 4085 1 7 . 1 1 25 25 THR HA H 25 5.310 5.310 4.796 0.514 25195 4086 1 7 . 1 1 25 25 THR C C 25 172.300 172.300 173.217 -0.917 25195 4087 1 7 . 1 1 25 25 THR CA C 25 61.800 61.800 61.738 0.062 25195 4088 1 7 . 1 1 25 25 THR CB C 25 71.600 71.600 70.586 1.014 25195 4089 1 7 . 1 1 25 25 THR H H 25 9.170 9.170 8.647 0.523 25195 4090 1 7 . 1 1 26 26 ILE N N 26 122.500 122.500 123.048 -0.548 25195 4091 1 7 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.936 0.334 25195 4092 1 7 . 1 1 26 26 ILE C C 26 172.200 172.200 174.223 -2.023 25195 4093 1 7 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.150 -0.450 25195 4094 1 7 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.739 1.561 25195 4095 1 7 . 1 1 26 26 ILE H H 26 8.910 8.910 8.771 0.139 25195 4096 1 7 . 1 1 27 27 TYR N N 27 129.400 129.400 122.333 7.067 25195 4097 1 7 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.266 -0.086 25195 4098 1 7 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.472 2.027 25195 4099 1 7 . 1 1 27 27 TYR CB C 27 37.100 37.100 40.163 -3.063 25195 4100 1 7 . 1 1 27 27 TYR H H 27 9.090 9.090 8.965 0.125 25195 4101 1 7 . 1 1 29 29 ASN CB C 29 42.700 42.700 37.732 4.968 25195 4102 1 7 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.389 0.461 25195 4103 1 7 . 1 1 30 30 PRO C C 30 177.000 177.000 175.544 1.456 25195 4104 1 7 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.242 0.958 25195 4105 1 7 . 1 1 30 30 PRO CB C 30 32.700 32.700 32.003 0.697 25195 4106 1 7 . 1 1 31 31 VAL N N 31 112.100 112.100 121.874 -9.774 25195 4107 1 7 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.157 0.003 25195 4108 1 7 . 1 1 31 31 VAL C C 31 175.000 175.000 174.822 0.178 25195 4109 1 7 . 1 1 31 31 VAL CA C 31 62.000 62.000 61.301 0.699 25195 4110 1 7 . 1 1 31 31 VAL CB C 31 31.500 31.500 34.280 -2.780 25195 4111 1 7 . 1 1 31 31 VAL H H 31 7.290 7.290 7.958 -0.668 25195 4112 1 7 . 1 1 32 32 CYS N N 32 126.100 126.100 127.298 -1.198 25195 4113 1 7 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.345 0.015 25195 4114 1 7 . 1 1 32 32 CYS CA C 32 59.300 59.300 60.430 -1.130 25195 4115 1 7 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.057 4.143 25195 4116 1 7 . 1 1 32 32 CYS H H 32 7.780 7.780 8.780 -1.000 25195 4117 1 7 . 1 1 33 33 GLY C C 33 177.400 177.400 176.025 1.375 25195 4118 1 7 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.479 1.221 25195 4119 1 7 . 1 1 34 34 THR N N 34 123.700 123.700 116.852 6.848 25195 4120 1 7 . 1 1 34 34 THR HA H 34 4.250 4.250 4.054 0.196 25195 4121 1 7 . 1 1 34 34 THR C C 34 175.600 175.600 176.354 -0.754 25195 4122 1 7 . 1 1 34 34 THR CA C 34 67.600 67.600 66.086 1.514 25195 4123 1 7 . 1 1 34 34 THR CB C 34 68.700 68.700 68.990 -0.290 25195 4124 1 7 . 1 1 34 34 THR H H 34 9.110 9.110 7.886 1.224 25195 4125 1 7 . 1 1 35 35 SER N N 35 123.600 123.600 118.052 5.548 25195 4126 1 7 . 1 1 35 35 SER C C 35 177.900 177.900 176.244 1.656 25195 4127 1 7 . 1 1 35 35 SER CA C 35 63.800 63.800 61.738 2.062 25195 4128 1 7 . 1 1 35 35 SER CB C 35 63.800 63.800 63.136 0.664 25195 4129 1 7 . 1 1 35 35 SER H H 35 9.530 9.530 8.403 1.127 25195 4130 1 7 . 1 1 36 36 ARG N N 36 113.400 113.400 120.285 -6.885 25195 4131 1 7 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.083 -0.083 25195 4132 1 7 . 1 1 36 36 ARG C C 36 179.200 179.200 178.472 0.728 25195 4133 1 7 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.801 2.499 25195 4134 1 7 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.598 1.702 25195 4135 1 7 . 1 1 36 36 ARG H H 36 8.740 8.740 8.396 0.344 25195 4136 1 7 . 1 1 37 37 LYS N N 37 121.900 121.900 120.679 1.221 25195 4137 1 7 . 1 1 37 37 LYS HA H 37 4.140 4.140 3.952 0.188 25195 4138 1 7 . 1 1 37 37 LYS C C 37 179.400 179.400 178.598 0.802 25195 4139 1 7 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.943 -0.243 25195 4140 1 7 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.444 0.156 25195 4141 1 7 . 1 1 37 37 LYS H H 37 7.980 7.980 7.891 0.089 25195 4142 1 7 . 1 1 38 38 VAL N N 38 120.900 120.900 119.367 1.533 25195 4143 1 7 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.636 -0.016 25195 4144 1 7 . 1 1 38 38 VAL C C 38 177.300 177.300 178.047 -0.747 25195 4145 1 7 . 1 1 38 38 VAL CA C 38 67.300 67.300 67.269 0.031 25195 4146 1 7 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.646 0.254 25195 4147 1 7 . 1 1 38 38 VAL H H 38 8.670 8.670 8.035 0.635 25195 4148 1 7 . 1 1 39 39 LEU N N 39 120.200 120.200 119.374 0.826 25195 4149 1 7 . 1 1 39 39 LEU C C 39 178.300 178.300 179.283 -0.983 25195 4150 1 7 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.908 0.692 25195 4151 1 7 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.162 0.438 25195 4152 1 7 . 1 1 39 39 LEU H H 39 8.300 8.300 8.578 -0.278 25195 4153 1 7 . 1 1 40 40 GLY N N 40 103.600 103.600 107.916 -4.316 25195 4154 1 7 . 1 1 40 40 GLY C C 40 176.600 176.600 176.282 0.318 25195 4155 1 7 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.211 0.189 25195 4156 1 7 . 1 1 40 40 GLY H H 40 8.050 8.050 8.300 -0.250 25195 4157 1 7 . 1 1 41 41 MET N N 41 122.300 122.300 121.582 0.718 25195 4158 1 7 . 1 1 41 41 MET HA H 41 4.030 4.030 4.451 -0.421 25195 4159 1 7 . 1 1 41 41 MET C C 41 179.200 179.200 179.287 -0.087 25195 4160 1 7 . 1 1 41 41 MET CA C 41 59.900 59.900 57.268 2.632 25195 4161 1 7 . 1 1 41 41 MET CB C 41 33.600 33.600 31.687 1.913 25195 4162 1 7 . 1 1 41 41 MET H H 41 8.310 8.310 7.883 0.427 25195 4163 1 7 . 1 1 42 42 ILE N N 42 120.600 120.600 120.515 0.085 25195 4164 1 7 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.514 0.026 25195 4165 1 7 . 1 1 42 42 ILE C C 42 177.600 177.600 177.936 -0.336 25195 4166 1 7 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.490 0.710 25195 4167 1 7 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.578 1.522 25195 4168 1 7 . 1 1 42 42 ILE H H 42 8.260 8.260 8.295 -0.035 25195 4169 1 7 . 1 1 43 43 ARG N N 43 117.200 117.200 119.212 -2.012 25195 4170 1 7 . 1 1 43 43 ARG C C 43 182.100 182.100 178.874 3.226 25195 4171 1 7 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.610 -0.510 25195 4172 1 7 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.353 -0.953 25195 4173 1 7 . 1 1 43 43 ARG H H 43 7.810 7.810 8.319 -0.509 25195 4174 1 7 . 1 1 44 44 GLU N N 44 122.200 122.200 116.967 5.233 25195 4175 1 7 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.167 -0.117 25195 4176 1 7 . 1 1 44 44 GLU C C 44 177.600 177.600 177.550 0.050 25195 4177 1 7 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.316 0.784 25195 4178 1 7 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.419 0.081 25195 4179 1 7 . 1 1 44 44 GLU H H 44 8.670 8.670 7.954 0.716 25195 4180 1 7 . 1 1 45 45 ALA N N 45 120.400 120.400 120.852 -0.452 25195 4181 1 7 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.165 0.255 25195 4182 1 7 . 1 1 45 45 ALA C C 45 177.300 177.300 177.264 0.036 25195 4183 1 7 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.986 -0.486 25195 4184 1 7 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.697 -1.297 25195 4185 1 7 . 1 1 45 45 ALA H H 45 7.430 7.430 7.705 -0.275 25195 4186 1 7 . 1 1 46 46 GLY N N 46 106.000 106.000 104.286 1.714 25195 4187 1 7 . 1 1 46 46 GLY C C 46 173.800 173.800 173.840 -0.040 25195 4188 1 7 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.776 0.524 25195 4189 1 7 . 1 1 46 46 GLY H H 46 8.080 8.080 7.786 0.294 25195 4190 1 7 . 1 1 47 47 ILE N N 47 121.500 121.500 119.437 2.063 25195 4191 1 7 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.391 -0.291 25195 4192 1 7 . 1 1 47 47 ILE C C 47 174.100 174.100 174.286 -0.186 25195 4193 1 7 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.708 0.992 25195 4194 1 7 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.254 0.846 25195 4195 1 7 . 1 1 47 47 ILE H H 47 7.180 7.180 7.726 -0.546 25195 4196 1 7 . 1 1 48 48 GLU N N 48 127.000 127.000 124.549 2.451 25195 4197 1 7 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.642 0.558 25195 4198 1 7 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.338 -1.038 25195 4199 1 7 . 1 1 48 48 GLU CB C 48 29.400 29.400 29.485 -0.085 25195 4200 1 7 . 1 1 48 48 GLU H H 48 8.440 8.440 8.604 -0.164 25195 4201 1 7 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.826 -0.186 25195 4202 1 7 . 1 1 49 49 PRO C C 49 175.200 175.200 176.491 -1.291 25195 4203 1 7 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.203 -0.303 25195 4204 1 7 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.622 0.078 25195 4205 1 7 . 1 1 50 50 HIS N N 50 119.000 119.000 121.622 -2.622 25195 4206 1 7 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.737 -0.037 25195 4207 1 7 . 1 1 50 50 HIS C C 50 174.200 174.200 174.072 0.128 25195 4208 1 7 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.996 0.404 25195 4209 1 7 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.386 -2.286 25195 4210 1 7 . 1 1 50 50 HIS H H 50 9.160 9.160 8.550 0.610 25195 4211 1 7 . 1 1 51 51 VAL N N 51 128.400 128.400 127.974 0.426 25195 4212 1 7 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.254 -0.014 25195 4213 1 7 . 1 1 51 51 VAL C C 51 175.600 175.600 174.901 0.699 25195 4214 1 7 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.138 0.062 25195 4215 1 7 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.076 0.124 25195 4216 1 7 . 1 1 51 51 VAL H H 51 8.760 8.760 8.713 0.047 25195 4217 1 7 . 1 1 52 52 ILE N N 52 129.400 129.400 130.806 -1.406 25195 4218 1 7 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.332 -0.112 25195 4219 1 7 . 1 1 52 52 ILE C C 52 176.500 176.500 174.576 1.924 25195 4220 1 7 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.302 -0.002 25195 4221 1 7 . 1 1 52 52 ILE CB C 52 38.200 38.200 39.708 -1.508 25195 4222 1 7 . 1 1 52 52 ILE H H 52 9.000 9.000 8.603 0.397 25195 4223 1 7 . 1 1 53 53 GLU N N 53 129.900 129.900 129.149 0.751 25195 4224 1 7 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.523 0.607 25195 4225 1 7 . 1 1 53 53 GLU C C 53 174.200 174.200 175.318 -1.118 25195 4226 1 7 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.238 -0.338 25195 4227 1 7 . 1 1 53 53 GLU CB C 53 28.300 28.300 30.056 -1.756 25195 4228 1 7 . 1 1 53 53 GLU H H 53 9.180 9.180 8.709 0.471 25195 4229 1 7 . 1 1 54 54 TYR N N 54 124.200 124.200 127.278 -3.078 25195 4230 1 7 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.760 0.440 25195 4231 1 7 . 1 1 54 54 TYR C C 54 174.200 174.200 174.831 -0.631 25195 4232 1 7 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.215 -3.115 25195 4233 1 7 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.286 -2.286 25195 4234 1 7 . 1 1 54 54 TYR H H 54 8.460 8.460 8.498 -0.038 25195 4235 1 7 . 1 1 55 55 MET N N 55 121.900 121.900 123.164 -1.264 25195 4236 1 7 . 1 1 55 55 MET H H 55 7.660 7.660 7.516 0.144 25195 4237 1 7 . 1 1 56 56 LYS C C 56 176.700 176.700 176.099 0.601 25195 4238 1 7 . 1 1 56 56 LYS CA C 56 56.900 56.900 57.711 -0.811 25195 4239 1 7 . 1 1 56 56 LYS CB C 56 29.200 29.200 32.732 -3.532 25195 4240 1 7 . 1 1 57 57 THR N N 57 114.700 114.700 120.032 -5.332 25195 4241 1 7 . 1 1 57 57 THR HA H 57 4.720 4.720 4.693 0.027 25195 4242 1 7 . 1 1 57 57 THR CB C 57 70.500 70.500 68.609 1.891 25195 4243 1 7 . 1 1 57 57 THR H H 57 7.940 7.940 8.366 -0.426 25195 4244 1 7 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.445 0.255 25195 4245 1 7 . 1 1 58 58 PRO C C 58 177.400 177.400 175.904 1.496 25195 4246 1 7 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.973 -0.173 25195 4247 1 7 . 1 1 58 58 PRO CB C 58 32.600 32.600 31.750 0.850 25195 4248 1 7 . 1 1 59 59 LEU N N 59 125.300 125.300 126.571 -1.271 25195 4249 1 7 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.829 -0.249 25195 4250 1 7 . 1 1 59 59 LEU CB C 59 42.300 42.300 43.199 -0.899 25195 4251 1 7 . 1 1 59 59 LEU H H 59 8.760 8.760 8.115 0.645 25195 4252 1 7 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.604 -0.094 25195 4253 1 7 . 1 1 60 60 PRO C C 60 178.400 178.400 177.541 0.859 25195 4254 1 7 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.162 -0.062 25195 4255 1 7 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.531 -0.231 25195 4256 1 7 . 1 1 61 61 ARG N N 61 125.800 125.800 120.296 5.504 25195 4257 1 7 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.866 -0.166 25195 4258 1 7 . 1 1 61 61 ARG C C 61 177.800 177.800 177.601 0.199 25195 4259 1 7 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.754 1.046 25195 4260 1 7 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.357 1.043 25195 4261 1 7 . 1 1 61 61 ARG H H 61 8.980 8.980 8.758 0.222 25195 4262 1 7 . 1 1 62 62 ASP N N 62 113.300 113.300 120.846 -7.546 25195 4263 1 7 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.318 -0.078 25195 4264 1 7 . 1 1 62 62 ASP C C 62 179.100 179.100 178.497 0.603 25195 4265 1 7 . 1 1 62 62 ASP CA C 62 57.000 57.000 56.944 0.056 25195 4266 1 7 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.153 -0.453 25195 4267 1 7 . 1 1 62 62 ASP H H 62 8.820 8.820 8.486 0.334 25195 4268 1 7 . 1 1 63 63 MET N N 63 118.800 118.800 119.715 -0.915 25195 4269 1 7 . 1 1 63 63 MET HA H 63 4.460 4.460 4.144 0.316 25195 4270 1 7 . 1 1 63 63 MET C C 63 177.700 177.700 177.945 -0.245 25195 4271 1 7 . 1 1 63 63 MET CA C 63 57.200 57.200 58.481 -1.281 25195 4272 1 7 . 1 1 63 63 MET CB C 63 32.500 32.500 32.322 0.178 25195 4273 1 7 . 1 1 63 63 MET H H 63 7.340 7.340 8.095 -0.755 25195 4274 1 7 . 1 1 64 64 LEU N N 64 121.000 121.000 119.454 1.546 25195 4275 1 7 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.043 -0.083 25195 4276 1 7 . 1 1 64 64 LEU C C 64 178.000 178.000 178.425 -0.425 25195 4277 1 7 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.133 0.167 25195 4278 1 7 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.798 -0.398 25195 4279 1 7 . 1 1 64 64 LEU H H 64 7.570 7.570 8.130 -0.560 25195 4280 1 7 . 1 1 65 65 VAL N N 65 117.200 117.200 120.385 -3.185 25195 4281 1 7 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.523 -0.093 25195 4282 1 7 . 1 1 65 65 VAL C C 65 178.500 178.500 177.975 0.525 25195 4283 1 7 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.533 0.067 25195 4284 1 7 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.394 0.606 25195 4285 1 7 . 1 1 65 65 VAL H H 65 8.250 8.250 7.940 0.310 25195 4286 1 7 . 1 1 66 66 GLU N N 66 120.200 120.200 120.016 0.184 25195 4287 1 7 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.036 0.304 25195 4288 1 7 . 1 1 66 66 GLU C C 66 178.500 178.500 178.861 -0.361 25195 4289 1 7 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.299 -0.599 25195 4290 1 7 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.660 -0.460 25195 4291 1 7 . 1 1 66 66 GLU H H 66 7.510 7.510 8.100 -0.590 25195 4292 1 7 . 1 1 67 67 LEU N N 67 121.100 121.100 120.110 0.990 25195 4293 1 7 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.117 -0.127 25195 4294 1 7 . 1 1 67 67 LEU C C 67 179.400 179.400 179.151 0.249 25195 4295 1 7 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.985 0.415 25195 4296 1 7 . 1 1 67 67 LEU CB C 67 41.800 41.800 41.944 -0.145 25195 4297 1 7 . 1 1 67 67 LEU H H 67 8.480 8.480 7.862 0.618 25195 4298 1 7 . 1 1 68 68 LEU N N 68 118.500 118.500 117.666 0.834 25195 4299 1 7 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.190 -0.410 25195 4300 1 7 . 1 1 68 68 LEU C C 68 179.100 179.100 178.302 0.798 25195 4301 1 7 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.036 0.664 25195 4302 1 7 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.289 0.111 25195 4303 1 7 . 1 1 68 68 LEU H H 68 8.250 8.250 8.385 -0.135 25195 4304 1 7 . 1 1 69 69 ARG N N 69 119.200 119.200 118.304 0.896 25195 4305 1 7 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.258 -0.208 25195 4306 1 7 . 1 1 69 69 ARG C C 69 180.400 180.400 178.285 2.115 25195 4307 1 7 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.337 1.163 25195 4308 1 7 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.820 0.280 25195 4309 1 7 . 1 1 69 69 ARG H H 69 7.950 7.950 8.187 -0.237 25195 4310 1 7 . 1 1 70 70 GLN N N 70 118.500 118.500 117.500 1.000 25195 4311 1 7 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.121 -0.091 25195 4312 1 7 . 1 1 70 70 GLN C C 70 179.900 179.900 178.079 1.821 25195 4313 1 7 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.669 1.231 25195 4314 1 7 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.680 0.720 25195 4315 1 7 . 1 1 70 70 GLN H H 70 8.450 8.450 7.738 0.712 25195 4316 1 7 . 1 1 71 71 MET N N 71 117.500 117.500 117.887 -0.387 25195 4317 1 7 . 1 1 71 71 MET HA H 71 4.140 4.140 4.063 0.077 25195 4318 1 7 . 1 1 71 71 MET C C 71 175.200 175.200 176.732 -1.532 25195 4319 1 7 . 1 1 71 71 MET CA C 71 58.200 58.200 58.858 -0.659 25195 4320 1 7 . 1 1 71 71 MET CB C 71 36.200 36.200 33.221 2.979 25195 4321 1 7 . 1 1 71 71 MET H H 71 8.380 8.380 7.791 0.589 25195 4322 1 7 . 1 1 72 72 ALA N N 72 120.400 120.400 116.308 4.092 25195 4323 1 7 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.584 -0.554 25195 4324 1 7 . 1 1 72 72 ALA C C 72 176.600 176.600 176.358 0.242 25195 4325 1 7 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.255 0.545 25195 4326 1 7 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.791 -5.291 25195 4327 1 7 . 1 1 72 72 ALA H H 72 8.100 8.100 7.404 0.696 25195 4328 1 7 . 1 1 73 73 ILE N N 73 108.600 108.600 114.545 -5.945 25195 4329 1 7 . 1 1 73 73 ILE C C 73 174.700 174.700 174.578 0.122 25195 4330 1 7 . 1 1 73 73 ILE CA C 73 58.900 58.900 57.982 0.918 25195 4331 1 7 . 1 1 73 73 ILE CB C 73 41.600 41.600 40.291 1.309 25195 4332 1 7 . 1 1 73 73 ILE H H 73 7.240 7.240 7.639 -0.399 25195 4333 1 7 . 1 1 74 74 SER N N 74 116.500 116.500 117.749 -1.249 25195 4334 1 7 . 1 1 74 74 SER HA H 74 4.780 4.780 4.246 0.534 25195 4335 1 7 . 1 1 74 74 SER CA C 74 55.900 55.900 58.078 -2.178 25195 4336 1 7 . 1 1 74 74 SER CB C 74 63.500 63.500 62.525 0.975 25195 4337 1 7 . 1 1 74 74 SER H H 74 8.290 8.290 7.877 0.413 25195 4338 1 7 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.311 0.449 25195 4339 1 7 . 1 1 75 75 PRO C C 75 178.200 178.200 177.458 0.742 25195 4340 1 7 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.740 0.859 25195 4341 1 7 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.857 0.243 25195 4342 1 7 . 1 1 76 76 ARG N N 76 114.400 114.400 117.673 -3.273 25195 4343 1 7 . 1 1 76 76 ARG C C 76 178.100 178.100 176.846 1.254 25195 4344 1 7 . 1 1 76 76 ARG CA C 76 60.000 60.000 57.969 2.031 25195 4345 1 7 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.131 -0.731 25195 4346 1 7 . 1 1 76 76 ARG H H 76 8.340 8.340 8.100 0.240 25195 4347 1 7 . 1 1 77 77 ALA N N 77 119.400 119.400 117.894 1.506 25195 4348 1 7 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.447 -0.217 25195 4349 1 7 . 1 1 77 77 ALA C C 77 178.100 178.100 177.004 1.096 25195 4350 1 7 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.259 2.541 25195 4351 1 7 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.811 -0.211 25195 4352 1 7 . 1 1 77 77 ALA H H 77 7.720 7.720 7.456 0.264 25195 4353 1 7 . 1 1 78 78 LEU N N 78 119.400 119.400 120.209 -0.809 25195 4354 1 7 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.347 0.033 25195 4355 1 7 . 1 1 78 78 LEU C C 78 174.800 174.800 176.696 -1.896 25195 4356 1 7 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.118 -2.218 25195 4357 1 7 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.097 1.003 25195 4358 1 7 . 1 1 78 78 LEU H H 78 7.610 7.610 7.298 0.312 25195 4359 1 7 . 1 1 79 79 LEU N N 79 118.700 118.700 120.712 -2.012 25195 4360 1 7 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.948 0.702 25195 4361 1 7 . 1 1 79 79 LEU C C 79 178.900 178.900 176.795 2.105 25195 4362 1 7 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.717 0.383 25195 4363 1 7 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.447 5.154 25195 4364 1 7 . 1 1 79 79 LEU H H 79 7.220 7.220 7.739 -0.519 25195 4365 1 7 . 1 1 80 80 ARG N N 80 124.000 124.000 124.470 -0.470 25195 4366 1 7 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.043 0.177 25195 4367 1 7 . 1 1 80 80 ARG C C 80 174.800 174.800 177.647 -2.847 25195 4368 1 7 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.425 -0.225 25195 4369 1 7 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.998 -0.298 25195 4370 1 7 . 1 1 80 80 ARG H H 80 8.780 8.780 8.059 0.721 25195 4371 1 7 . 1 1 81 81 ALA N N 81 124.400 124.400 124.208 0.192 25195 4372 1 7 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.189 -1.699 25195 4373 1 7 . 1 1 81 81 ALA C C 81 177.600 177.600 178.694 -1.094 25195 4374 1 7 . 1 1 81 81 ALA CA C 81 52.700 52.700 55.155 -2.455 25195 4375 1 7 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.003 -0.404 25195 4376 1 7 . 1 1 81 81 ALA H H 81 7.420 7.420 8.720 -1.300 25195 4377 1 7 . 1 1 82 82 LYS N N 82 114.500 114.500 117.192 -2.692 25195 4378 1 7 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.021 0.229 25195 4379 1 7 . 1 1 82 82 LYS C C 82 177.700 177.700 178.714 -1.014 25195 4380 1 7 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.686 -2.886 25195 4381 1 7 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.395 -0.995 25195 4382 1 7 . 1 1 82 82 LYS H H 82 8.190 8.190 7.917 0.273 25195 4383 1 7 . 1 1 83 83 GLU N N 83 118.700 118.700 119.804 -1.104 25195 4384 1 7 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.384 -0.184 25195 4385 1 7 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.921 0.879 25195 4386 1 7 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.176 2.124 25195 4387 1 7 . 1 1 83 83 GLU H H 83 7.120 7.120 7.589 -0.469 25195 4388 1 7 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.878 0.332 25195 4389 1 7 . 1 1 84 84 ALA C C 84 180.900 180.900 179.208 1.692 25195 4390 1 7 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.801 -0.101 25195 4391 1 7 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.861 -1.061 25195 4392 1 7 . 1 1 85 85 ARG N N 85 115.800 115.800 118.984 -3.184 25195 4393 1 7 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.963 0.097 25195 4394 1 7 . 1 1 85 85 ARG C C 85 178.200 178.200 177.935 0.265 25195 4395 1 7 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.978 -2.078 25195 4396 1 7 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.768 0.132 25195 4397 1 7 . 1 1 85 85 ARG H H 85 9.280 9.280 8.097 1.183 25195 4398 1 7 . 1 1 86 86 TYR N N 86 118.300 118.300 119.939 -1.639 25195 4399 1 7 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.059 -0.219 25195 4400 1 7 . 1 1 86 86 TYR C C 86 176.500 176.500 176.800 -0.300 25195 4401 1 7 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.461 -0.261 25195 4402 1 7 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.832 0.368 25195 4403 1 7 . 1 1 86 86 TYR H H 86 7.270 7.270 8.663 -1.393 25195 4404 1 7 . 1 1 87 87 ALA N N 87 120.500 120.500 119.119 1.381 25195 4405 1 7 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.491 0.849 25195 4406 1 7 . 1 1 87 87 ALA C C 87 181.900 181.900 180.400 1.500 25195 4407 1 7 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.289 0.111 25195 4408 1 7 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.690 0.710 25195 4409 1 7 . 1 1 87 87 ALA H H 87 7.110 7.110 7.798 -0.688 25195 4410 1 7 . 1 1 88 88 GLU N N 88 119.500 119.500 120.056 -0.556 25195 4411 1 7 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.034 -0.054 25195 4412 1 7 . 1 1 88 88 GLU C C 88 178.800 178.800 178.416 0.384 25195 4413 1 7 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.769 0.531 25195 4414 1 7 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.597 0.903 25195 4415 1 7 . 1 1 88 88 GLU H H 88 8.240 8.240 8.128 0.112 25195 4416 1 7 . 1 1 89 89 LEU N N 89 115.100 115.100 117.342 -2.242 25195 4417 1 7 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.221 0.059 25195 4418 1 7 . 1 1 89 89 LEU C C 89 176.900 176.900 177.345 -0.445 25195 4419 1 7 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.481 -0.981 25195 4420 1 7 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.313 0.487 25195 4421 1 7 . 1 1 89 89 LEU H H 89 7.430 7.430 7.999 -0.569 25195 4422 1 7 . 1 1 90 90 GLY N N 90 108.200 108.200 106.102 2.098 25195 4423 1 7 . 1 1 90 90 GLY C C 90 176.900 176.900 175.865 1.035 25195 4424 1 7 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.595 1.405 25195 4425 1 7 . 1 1 90 90 GLY H H 90 7.690 7.690 7.525 0.165 25195 4426 1 7 . 1 1 91 91 LEU N N 91 113.000 113.000 120.016 -7.016 25195 4427 1 7 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.071 -0.301 25195 4428 1 7 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.251 -1.551 25195 4429 1 7 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.002 -1.702 25195 4430 1 7 . 1 1 91 91 LEU H H 91 7.000 7.000 7.365 -0.365 25195 4431 1 7 . 1 1 92 92 ASP N N 92 117.000 117.000 115.352 1.648 25195 4432 1 7 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.523 -0.083 25195 4433 1 7 . 1 1 92 92 ASP C C 92 175.400 175.400 175.898 -0.498 25195 4434 1 7 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.211 -0.411 25195 4435 1 7 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.820 -0.120 25195 4436 1 7 . 1 1 92 92 ASP H H 92 8.510 8.510 7.894 0.616 25195 4437 1 7 . 1 1 93 93 ASP N N 93 120.600 120.600 120.096 0.504 25195 4438 1 7 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.593 -0.013 25195 4439 1 7 . 1 1 93 93 ASP C C 93 176.000 176.000 176.236 -0.236 25195 4440 1 7 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.896 -1.796 25195 4441 1 7 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.950 0.550 25195 4442 1 7 . 1 1 93 93 ASP H H 93 7.000 7.000 7.546 -0.546 25195 4443 1 7 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.319 -0.019 25195 4444 1 7 . 1 1 94 94 PRO C C 94 178.100 178.100 176.996 1.104 25195 4445 1 7 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.930 -0.130 25195 4446 1 7 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.951 0.249 25195 4447 1 7 . 1 1 95 95 ALA N N 95 121.900 121.900 120.132 1.768 25195 4448 1 7 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.452 -0.182 25195 4449 1 7 . 1 1 95 95 ALA C C 95 178.400 178.400 176.441 1.959 25195 4450 1 7 . 1 1 95 95 ALA CA C 95 52.500 52.500 51.852 0.648 25195 4451 1 7 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.196 1.004 25195 4452 1 7 . 1 1 95 95 ALA H H 95 8.610 8.610 8.112 0.498 25195 4453 1 7 . 1 1 96 96 LEU N N 96 117.600 117.600 118.996 -1.396 25195 4454 1 7 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.736 -0.566 25195 4455 1 7 . 1 1 96 96 LEU C C 96 177.600 177.600 176.393 1.207 25195 4456 1 7 . 1 1 96 96 LEU CA C 96 55.500 55.500 53.856 1.643 25195 4457 1 7 . 1 1 96 96 LEU CB C 96 42.400 42.400 44.185 -1.786 25195 4458 1 7 . 1 1 96 96 LEU H H 96 7.010 7.010 7.460 -0.450 25195 4459 1 7 . 1 1 97 97 SER N N 97 119.200 119.200 112.719 6.481 25195 4460 1 7 . 1 1 97 97 SER HA H 97 4.360 4.360 4.765 -0.405 25195 4461 1 7 . 1 1 97 97 SER C C 97 174.400 174.400 173.853 0.547 25195 4462 1 7 . 1 1 97 97 SER CA C 97 57.300 57.300 57.450 -0.150 25195 4463 1 7 . 1 1 97 97 SER CB C 97 64.900 64.900 65.938 -1.038 25195 4464 1 7 . 1 1 97 97 SER H H 97 8.620 8.620 8.140 0.480 25195 4465 1 7 . 1 1 98 98 ASP N N 98 122.000 122.000 121.968 0.032 25195 4466 1 7 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.286 -0.016 25195 4467 1 7 . 1 1 98 98 ASP C C 98 178.100 178.100 178.199 -0.099 25195 4468 1 7 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.226 0.574 25195 4469 1 7 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.847 -0.747 25195 4470 1 7 . 1 1 98 98 ASP H H 98 9.050 9.050 8.630 0.420 25195 4471 1 7 . 1 1 99 99 GLU N N 99 116.100 116.100 120.134 -4.034 25195 4472 1 7 . 1 1 99 99 GLU HA H 99 3.790 3.790 3.949 -0.159 25195 4473 1 7 . 1 1 99 99 GLU C C 99 176.800 176.800 178.680 -1.880 25195 4474 1 7 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.688 0.212 25195 4475 1 7 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.540 -0.340 25195 4476 1 7 . 1 1 99 99 GLU H H 99 8.250 8.250 8.502 -0.252 25195 4477 1 7 . 1 1 100 100 VAL N N 100 118.000 118.000 115.961 2.039 25195 4478 1 7 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.748 0.062 25195 4479 1 7 . 1 1 100 100 VAL C C 100 179.200 179.200 177.936 1.264 25195 4480 1 7 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.430 0.171 25195 4481 1 7 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.497 -0.097 25195 4482 1 7 . 1 1 100 100 VAL H H 100 7.290 7.290 7.462 -0.172 25195 4483 1 7 . 1 1 101 101 LEU N N 101 120.100 120.100 120.981 -0.881 25195 4484 1 7 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.034 -0.084 25195 4485 1 7 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.967 0.133 25195 4486 1 7 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.854 0.646 25195 4487 1 7 . 1 1 101 101 LEU H H 101 7.610 7.610 7.896 -0.286 25195 4488 1 7 . 1 1 102 102 ILE N N 102 118.900 118.900 120.107 -1.207 25195 4489 1 7 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.508 -0.088 25195 4490 1 7 . 1 1 102 102 ILE C C 102 177.700 177.700 177.771 -0.071 25195 4491 1 7 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.094 0.306 25195 4492 1 7 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.579 0.921 25195 4493 1 7 . 1 1 102 102 ILE H H 102 8.260 8.260 8.608 -0.348 25195 4494 1 7 . 1 1 103 103 ASP N N 103 118.000 118.000 119.926 -1.926 25195 4495 1 7 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.258 0.062 25195 4496 1 7 . 1 1 103 103 ASP C C 103 179.400 179.400 178.784 0.616 25195 4497 1 7 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.508 0.292 25195 4498 1 7 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.087 0.013 25195 4499 1 7 . 1 1 103 103 ASP H H 103 8.080 8.080 8.144 -0.064 25195 4500 1 7 . 1 1 104 104 ALA N N 104 121.500 121.500 121.778 -0.278 25195 4501 1 7 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.075 -0.005 25195 4502 1 7 . 1 1 104 104 ALA C C 104 179.900 179.900 179.255 0.645 25195 4503 1 7 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.970 0.430 25195 4504 1 7 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.675 -0.976 25195 4505 1 7 . 1 1 104 104 ALA H H 104 8.210 8.210 8.000 0.210 25195 4506 1 7 . 1 1 105 105 MET N N 105 115.800 115.800 119.403 -3.603 25195 4507 1 7 . 1 1 105 105 MET HA H 105 3.940 3.940 4.112 -0.172 25195 4508 1 7 . 1 1 105 105 MET C C 105 176.700 176.700 178.461 -1.761 25195 4509 1 7 . 1 1 105 105 MET CA C 105 59.500 59.500 59.004 0.496 25195 4510 1 7 . 1 1 105 105 MET CB C 105 35.400 35.400 32.953 2.447 25195 4511 1 7 . 1 1 105 105 MET H H 105 7.520 7.520 7.775 -0.255 25195 4512 1 7 . 1 1 106 106 ILE N N 106 118.100 118.100 116.805 1.295 25195 4513 1 7 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.862 0.158 25195 4514 1 7 . 1 1 106 106 ILE C C 106 178.200 178.200 177.649 0.551 25195 4515 1 7 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.345 -1.345 25195 4516 1 7 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.754 -0.054 25195 4517 1 7 . 1 1 106 106 ILE H H 106 7.730 7.730 8.412 -0.682 25195 4518 1 7 . 1 1 107 107 SER N N 107 112.400 112.400 113.405 -1.005 25195 4519 1 7 . 1 1 107 107 SER HA H 107 4.340 4.340 4.433 -0.093 25195 4520 1 7 . 1 1 107 107 SER C C 107 174.800 174.800 175.080 -0.280 25195 4521 1 7 . 1 1 107 107 SER CA C 107 60.400 60.400 59.393 1.007 25195 4522 1 7 . 1 1 107 107 SER CB C 107 64.000 64.000 63.998 0.002 25195 4523 1 7 . 1 1 107 107 SER H H 107 8.160 8.160 7.535 0.625 25195 4524 1 7 . 1 1 108 108 ASN N N 108 116.400 116.400 120.082 -3.682 25195 4525 1 7 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.028 0.262 25195 4526 1 7 . 1 1 108 108 ASN CA C 108 51.100 51.100 51.920 -0.820 25195 4527 1 7 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.527 1.673 25195 4528 1 7 . 1 1 108 108 ASN H H 108 7.700 7.700 7.794 -0.094 25195 4529 1 7 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.331 0.439 25195 4530 1 7 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.986 0.814 25195 4531 1 7 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.796 0.404 25195 4532 1 7 . 1 1 110 110 VAL N N 110 119.100 119.100 117.793 1.307 25195 4533 1 7 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.836 0.214 25195 4534 1 7 . 1 1 110 110 VAL C C 110 175.200 175.200 176.400 -1.200 25195 4535 1 7 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.285 1.315 25195 4536 1 7 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.141 0.059 25195 4537 1 7 . 1 1 110 110 VAL H H 110 8.280 8.280 7.924 0.356 25195 4538 1 7 . 1 1 111 111 LEU N N 111 115.200 115.200 111.943 3.257 25195 4539 1 7 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.145 0.255 25195 4540 1 7 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.886 2.314 25195 4541 1 7 . 1 1 111 111 LEU H H 111 8.420 8.420 7.260 1.160 25195 4542 1 7 . 1 1 112 112 MET N N 112 118.900 118.900 118.261 0.639 25195 4543 1 7 . 1 1 112 112 MET HA H 112 4.060 4.060 4.279 -0.219 25195 4544 1 7 . 1 1 112 112 MET CA C 112 56.500 56.500 56.706 -0.206 25195 4545 1 7 . 1 1 112 112 MET CB C 112 35.600 35.600 32.139 3.462 25195 4546 1 7 . 1 1 112 112 MET H H 112 7.940 7.940 7.664 0.276 25195 4547 1 7 . 1 1 113 113 ASN N N 113 125.800 125.800 120.621 5.179 25195 4548 1 7 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.699 -0.059 25195 4549 1 7 . 1 1 113 113 ASN C C 113 170.700 170.700 175.995 -5.295 25195 4550 1 7 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.029 -0.829 25195 4551 1 7 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.350 -1.450 25195 4552 1 7 . 1 1 113 113 ASN H H 113 9.140 9.140 8.251 0.889 25195 4553 1 7 . 1 1 114 114 ARG N N 114 113.200 113.200 120.554 -7.354 25195 4554 1 7 . 1 1 114 114 ARG CA C 114 53.800 53.800 59.286 -5.486 25195 4555 1 7 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.471 1.329 25195 4556 1 7 . 1 1 114 114 ARG H H 114 7.970 7.970 8.332 -0.362 25195 4557 1 7 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.700 0.120 25195 4558 1 7 . 1 1 115 115 PRO C C 115 175.400 175.400 176.132 -0.732 25195 4559 1 7 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.645 -0.045 25195 4560 1 7 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.925 2.475 25195 4561 1 7 . 1 1 116 116 VAL N N 116 124.500 124.500 126.665 -2.165 25195 4562 1 7 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.344 0.736 25195 4563 1 7 . 1 1 116 116 VAL C C 116 174.500 174.500 174.259 0.241 25195 4564 1 7 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.412 1.088 25195 4565 1 7 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.778 -2.778 25195 4566 1 7 . 1 1 116 116 VAL H H 116 7.840 7.840 8.825 -0.985 25195 4567 1 7 . 1 1 117 117 VAL N N 117 128.000 128.000 126.554 1.446 25195 4568 1 7 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.420 0.360 25195 4569 1 7 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.913 0.088 25195 4570 1 7 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.502 0.298 25195 4571 1 7 . 1 1 117 117 VAL H H 117 8.670 8.670 8.960 -0.290 25195 4572 1 7 . 1 1 118 118 VAL N N 118 125.700 125.700 129.337 -3.637 25195 4573 1 7 . 1 1 118 118 VAL C C 118 175.700 175.700 174.715 0.985 25195 4574 1 7 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.601 0.599 25195 4575 1 7 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.025 2.975 25195 4576 1 7 . 1 1 118 118 VAL H H 118 9.110 9.110 9.349 -0.239 25195 4577 1 7 . 1 1 119 119 THR N N 119 118.500 118.500 118.948 -0.448 25195 4578 1 7 . 1 1 119 119 THR HA H 119 5.490 5.490 5.016 0.474 25195 4579 1 7 . 1 1 119 119 THR CA C 119 58.800 58.800 58.536 0.264 25195 4580 1 7 . 1 1 119 119 THR CB C 119 69.800 69.800 70.671 -0.870 25195 4581 1 7 . 1 1 119 119 THR H H 119 9.370 9.370 8.856 0.514 25195 4582 1 7 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.480 0.000 25195 4583 1 7 . 1 1 120 120 PRO C C 120 177.800 177.800 177.018 0.782 25195 4584 1 7 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.662 0.438 25195 4585 1 7 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.662 0.638 25195 4586 1 7 . 1 1 121 121 LYS N N 121 113.600 113.600 119.133 -5.533 25195 4587 1 7 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.494 -0.234 25195 4588 1 7 . 1 1 121 121 LYS C C 121 176.400 176.400 175.663 0.737 25195 4589 1 7 . 1 1 121 121 LYS CA C 121 57.200 57.200 54.826 2.374 25195 4590 1 7 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.774 0.026 25195 4591 1 7 . 1 1 121 121 LYS H H 121 8.360 8.360 7.689 0.671 25195 4592 1 7 . 1 1 122 122 GLY N N 122 108.400 108.400 105.622 2.778 25195 4593 1 7 . 1 1 122 122 GLY C C 122 169.500 169.500 172.316 -2.816 25195 4594 1 7 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.885 0.215 25195 4595 1 7 . 1 1 122 122 GLY H H 122 7.900 7.900 7.522 0.378 25195 4596 1 7 . 1 1 123 123 VAL N N 123 117.100 117.100 119.301 -2.201 25195 4597 1 7 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.931 0.528 25195 4598 1 7 . 1 1 123 123 VAL C C 123 176.100 176.100 174.462 1.638 25195 4599 1 7 . 1 1 123 123 VAL CA C 123 60.000 60.000 61.496 -1.496 25195 4600 1 7 . 1 1 123 123 VAL CB C 123 34.800 34.800 36.023 -1.223 25195 4601 1 7 . 1 1 123 123 VAL H H 123 8.080 8.080 8.515 -0.435 25195 4602 1 7 . 1 1 124 124 ARG N N 124 122.300 122.300 121.393 0.907 25195 4603 1 7 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.652 0.008 25195 4604 1 7 . 1 1 124 124 ARG C C 124 174.800 174.800 174.257 0.543 25195 4605 1 7 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.475 -0.075 25195 4606 1 7 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.951 0.949 25195 4607 1 7 . 1 1 124 124 ARG H H 124 8.510 8.510 8.721 -0.211 25195 4608 1 7 . 1 1 125 125 LEU N N 125 125.500 125.500 123.332 2.168 25195 4609 1 7 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.188 0.412 25195 4610 1 7 . 1 1 125 125 LEU C C 125 176.500 176.500 177.993 -1.493 25195 4611 1 7 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.217 -1.517 25195 4612 1 7 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.230 -1.330 25195 4613 1 7 . 1 1 125 125 LEU H H 125 8.860 8.860 8.720 0.140 25195 4614 1 7 . 1 1 126 126 CYS N N 126 129.700 129.700 123.732 5.968 25195 4615 1 7 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.212 0.278 25195 4616 1 7 . 1 1 126 126 CYS C C 126 172.000 172.000 174.135 -2.135 25195 4617 1 7 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.882 0.018 25195 4618 1 7 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.958 -0.658 25195 4619 1 7 . 1 1 126 126 CYS H H 126 8.540 8.540 8.621 -0.081 25195 4620 1 7 . 1 1 127 127 ARG N N 127 117.500 117.500 118.572 -1.072 25195 4621 1 7 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.669 -0.479 25195 4622 1 7 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.108 0.092 25195 4623 1 7 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.629 1.771 25195 4624 1 7 . 1 1 127 127 ARG H H 127 6.930 6.930 7.132 -0.202 25195 4625 1 7 . 1 1 128 128 PRO C C 128 177.100 177.100 177.100 0.000 25195 4626 1 7 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.455 0.745 25195 4627 1 7 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.532 2.768 25195 4628 1 7 . 1 1 129 129 ALA N N 129 124.000 124.000 120.552 3.448 25195 4629 1 7 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.028 -0.178 25195 4630 1 7 . 1 1 129 129 ALA C C 129 177.700 177.700 179.678 -1.978 25195 4631 1 7 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.743 0.457 25195 4632 1 7 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.959 0.941 25195 4633 1 7 . 1 1 129 129 ALA H H 129 9.320 9.320 8.487 0.833 25195 4634 1 7 . 1 1 130 130 GLU N N 130 111.600 111.600 117.825 -6.225 25195 4635 1 7 . 1 1 130 130 GLU HA H 130 3.840 3.840 3.941 -0.101 25195 4636 1 7 . 1 1 130 130 GLU C C 130 178.200 178.200 178.717 -0.517 25195 4637 1 7 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.583 0.917 25195 4638 1 7 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.369 -1.269 25195 4639 1 7 . 1 1 130 130 GLU H H 130 9.490 9.490 8.393 1.097 25195 4640 1 7 . 1 1 131 131 THR N N 131 116.100 116.100 113.815 2.285 25195 4641 1 7 . 1 1 131 131 THR HA H 131 4.040 4.040 4.004 0.036 25195 4642 1 7 . 1 1 131 131 THR C C 131 175.800 175.800 176.568 -0.768 25195 4643 1 7 . 1 1 131 131 THR CA C 131 65.600 65.600 65.566 0.034 25195 4644 1 7 . 1 1 131 131 THR CB C 131 69.800 69.800 68.511 1.289 25195 4645 1 7 . 1 1 131 131 THR H H 131 7.940 7.940 7.639 0.301 25195 4646 1 7 . 1 1 132 132 VAL N N 132 119.200 119.200 121.810 -2.610 25195 4647 1 7 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.596 0.284 25195 4648 1 7 . 1 1 132 132 VAL C C 132 176.500 176.500 177.631 -1.131 25195 4649 1 7 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.760 -1.660 25195 4650 1 7 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.622 0.778 25195 4651 1 7 . 1 1 132 132 VAL H H 132 8.130 8.130 7.612 0.518 25195 4652 1 7 . 1 1 133 133 GLN N N 133 118.500 118.500 118.390 0.110 25195 4653 1 7 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.078 -0.228 25195 4654 1 7 . 1 1 133 133 GLN C C 133 178.500 178.500 177.941 0.559 25195 4655 1 7 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.472 0.328 25195 4656 1 7 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.733 -0.733 25195 4657 1 7 . 1 1 133 133 GLN H H 133 7.690 7.690 7.863 -0.173 25195 4658 1 7 . 1 1 134 134 GLU N N 134 115.200 115.200 119.541 -4.341 25195 4659 1 7 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.194 -0.054 25195 4660 1 7 . 1 1 134 134 GLU C C 134 177.000 177.000 178.487 -1.487 25195 4661 1 7 . 1 1 134 134 GLU CA C 134 57.800 57.800 58.644 -0.844 25195 4662 1 7 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.274 -0.374 25195 4663 1 7 . 1 1 134 134 GLU H H 134 7.620 7.620 7.855 -0.235 25195 4664 1 7 . 1 1 135 135 LEU N N 135 115.600 115.600 119.545 -3.945 25195 4665 1 7 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.263 -0.043 25195 4666 1 7 . 1 1 135 135 LEU C C 135 176.100 176.100 177.076 -0.976 25195 4667 1 7 . 1 1 135 135 LEU CA C 135 53.800 53.800 57.153 -3.353 25195 4668 1 7 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.904 0.396 25195 4669 1 7 . 1 1 135 135 LEU H H 135 7.740 7.740 7.689 0.051 25195 4670 1 8 . 1 1 9 9 MET C C 9 176.700 176.700 174.713 1.987 25195 4671 1 8 . 1 1 9 9 MET CA C 9 55.600 55.600 54.542 1.058 25195 4672 1 8 . 1 1 9 9 MET CB C 9 32.700 32.700 35.988 -3.288 25195 4673 1 8 . 1 1 10 10 GLY N N 10 109.800 109.800 108.547 1.253 25195 4674 1 8 . 1 1 10 10 GLY C C 10 174.400 174.400 173.408 0.992 25195 4675 1 8 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.022 0.278 25195 4676 1 8 . 1 1 10 10 GLY H H 10 8.480 8.480 8.500 -0.020 25195 4677 1 8 . 1 1 11 11 THR N N 11 113.500 113.500 115.205 -1.705 25195 4678 1 8 . 1 1 11 11 THR HA H 11 4.330 4.330 4.694 -0.364 25195 4679 1 8 . 1 1 11 11 THR CA C 11 62.100 62.100 61.974 0.126 25195 4680 1 8 . 1 1 11 11 THR CB C 11 69.900 69.900 69.657 0.243 25195 4681 1 8 . 1 1 11 11 THR H H 11 8.080 8.080 7.975 0.105 25195 4682 1 8 . 1 1 12 12 LEU N N 12 123.900 123.900 121.969 1.931 25195 4683 1 8 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.880 -0.570 25195 4684 1 8 . 1 1 12 12 LEU C C 12 177.700 177.700 175.511 2.189 25195 4685 1 8 . 1 1 12 12 LEU CA C 12 55.800 55.800 53.741 2.059 25195 4686 1 8 . 1 1 12 12 LEU CB C 12 42.200 42.200 42.716 -0.516 25195 4687 1 8 . 1 1 12 12 LEU H H 12 8.390 8.390 8.636 -0.246 25195 4688 1 8 . 1 1 13 13 GLU N N 13 121.300 121.300 119.607 1.693 25195 4689 1 8 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.149 0.051 25195 4690 1 8 . 1 1 13 13 GLU C C 13 176.500 176.500 175.750 0.750 25195 4691 1 8 . 1 1 13 13 GLU CA C 13 57.100 57.100 56.668 0.432 25195 4692 1 8 . 1 1 13 13 GLU CB C 13 29.900 29.900 30.449 -0.549 25195 4693 1 8 . 1 1 13 13 GLU H H 13 8.430 8.430 8.414 0.016 25195 4694 1 8 . 1 1 14 14 ALA N N 14 124.100 124.100 125.677 -1.577 25195 4695 1 8 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.403 -0.133 25195 4696 1 8 . 1 1 14 14 ALA C C 14 177.900 177.900 176.472 1.428 25195 4697 1 8 . 1 1 14 14 ALA CA C 14 52.800 52.800 52.991 -0.191 25195 4698 1 8 . 1 1 14 14 ALA CB C 14 19.200 19.200 19.498 -0.298 25195 4699 1 8 . 1 1 14 14 ALA H H 14 8.270 8.270 8.614 -0.344 25195 4700 1 8 . 1 1 15 15 GLN N N 15 118.900 118.900 117.037 1.863 25195 4701 1 8 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.430 -0.190 25195 4702 1 8 . 1 1 15 15 GLN C C 15 176.500 176.500 175.205 1.295 25195 4703 1 8 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.399 0.401 25195 4704 1 8 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.863 0.537 25195 4705 1 8 . 1 1 15 15 GLN H H 15 8.360 8.360 7.766 0.594 25195 4706 1 8 . 1 1 16 16 THR N N 16 114.900 114.900 114.982 -0.082 25195 4707 1 8 . 1 1 16 16 THR HA H 16 4.360 4.360 4.167 0.193 25195 4708 1 8 . 1 1 16 16 THR C C 16 174.600 174.600 175.811 -1.211 25195 4709 1 8 . 1 1 16 16 THR CA C 16 61.900 61.900 61.852 0.048 25195 4710 1 8 . 1 1 16 16 THR CB C 16 69.800 69.800 69.844 -0.044 25195 4711 1 8 . 1 1 16 16 THR H H 16 8.190 8.190 8.258 -0.068 25195 4712 1 8 . 1 1 17 17 GLN N N 17 122.100 122.100 121.027 1.073 25195 4713 1 8 . 1 1 17 17 GLN C C 17 176.100 176.100 176.796 -0.696 25195 4714 1 8 . 1 1 17 17 GLN CA C 17 55.700 55.700 57.895 -2.195 25195 4715 1 8 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.231 0.469 25195 4716 1 8 . 1 1 17 17 GLN H H 17 8.440 8.440 8.492 -0.052 25195 4717 1 8 . 1 1 18 18 GLY N N 18 110.100 110.100 107.929 2.171 25195 4718 1 8 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.227 0.473 25195 4719 1 8 . 1 1 18 18 GLY H H 18 8.370 8.370 8.484 -0.114 25195 4720 1 8 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.435 0.005 25195 4721 1 8 . 1 1 19 19 PRO C C 19 177.700 177.700 177.349 0.351 25195 4722 1 8 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.841 0.859 25195 4723 1 8 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.160 0.240 25195 4724 1 8 . 1 1 20 20 GLY N N 20 109.200 109.200 110.677 -1.477 25195 4725 1 8 . 1 1 20 20 GLY C C 20 174.400 174.400 174.618 -0.218 25195 4726 1 8 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.373 0.027 25195 4727 1 8 . 1 1 20 20 GLY H H 20 8.620 8.620 8.478 0.142 25195 4728 1 8 . 1 1 21 21 SER N N 21 115.000 115.000 114.901 0.099 25195 4729 1 8 . 1 1 21 21 SER HA H 21 4.420 4.420 4.526 -0.106 25195 4730 1 8 . 1 1 21 21 SER C C 21 174.600 174.600 174.141 0.459 25195 4731 1 8 . 1 1 21 21 SER CA C 21 58.600 58.600 58.334 0.266 25195 4732 1 8 . 1 1 21 21 SER CB C 21 64.100 64.100 64.002 0.098 25195 4733 1 8 . 1 1 21 21 SER H H 21 8.180 8.180 8.672 -0.492 25195 4734 1 8 . 1 1 22 22 MET N N 22 121.500 121.500 119.331 2.169 25195 4735 1 8 . 1 1 22 22 MET HA H 22 4.440 4.440 4.397 0.043 25195 4736 1 8 . 1 1 22 22 MET C C 22 175.100 175.100 175.393 -0.293 25195 4737 1 8 . 1 1 22 22 MET CA C 22 55.600 55.600 56.551 -0.951 25195 4738 1 8 . 1 1 22 22 MET CB C 22 33.600 33.600 32.432 1.168 25195 4739 1 8 . 1 1 22 22 MET H H 22 8.340 8.340 7.588 0.752 25195 4740 1 8 . 1 1 23 23 ASP N N 23 123.000 123.000 123.639 -0.639 25195 4741 1 8 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.892 -0.282 25195 4742 1 8 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.912 0.888 25195 4743 1 8 . 1 1 23 23 ASP CB C 23 41.700 41.700 42.417 -0.717 25195 4744 1 8 . 1 1 23 23 ASP H H 23 8.170 8.170 8.618 -0.448 25195 4745 1 8 . 1 1 24 24 VAL N N 24 123.200 123.200 115.979 7.221 25195 4746 1 8 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.915 0.125 25195 4747 1 8 . 1 1 24 24 VAL C C 24 174.900 174.900 174.214 0.686 25195 4748 1 8 . 1 1 24 24 VAL CA C 24 60.900 60.900 59.934 0.966 25195 4749 1 8 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.881 0.219 25195 4750 1 8 . 1 1 24 24 VAL H H 24 8.210 8.210 7.725 0.485 25195 4751 1 8 . 1 1 25 25 THR N N 25 124.200 124.200 122.088 2.112 25195 4752 1 8 . 1 1 25 25 THR HA H 25 5.310 5.310 4.881 0.429 25195 4753 1 8 . 1 1 25 25 THR C C 25 172.300 172.300 173.511 -1.211 25195 4754 1 8 . 1 1 25 25 THR CA C 25 61.800 61.800 60.971 0.829 25195 4755 1 8 . 1 1 25 25 THR CB C 25 71.600 71.600 70.009 1.591 25195 4756 1 8 . 1 1 25 25 THR H H 25 9.170 9.170 8.547 0.623 25195 4757 1 8 . 1 1 26 26 ILE N N 26 122.500 122.500 123.519 -1.019 25195 4758 1 8 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.850 0.420 25195 4759 1 8 . 1 1 26 26 ILE C C 26 172.200 172.200 174.373 -2.173 25195 4760 1 8 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.121 -0.421 25195 4761 1 8 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.677 1.623 25195 4762 1 8 . 1 1 26 26 ILE H H 26 8.910 8.910 8.970 -0.060 25195 4763 1 8 . 1 1 27 27 TYR N N 27 129.400 129.400 122.751 6.649 25195 4764 1 8 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.665 -0.485 25195 4765 1 8 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.415 2.085 25195 4766 1 8 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.839 -2.739 25195 4767 1 8 . 1 1 27 27 TYR H H 27 9.090 9.090 8.856 0.234 25195 4768 1 8 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.496 3.204 25195 4769 1 8 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.337 0.513 25195 4770 1 8 . 1 1 30 30 PRO C C 30 177.000 177.000 176.147 0.853 25195 4771 1 8 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.914 1.286 25195 4772 1 8 . 1 1 30 30 PRO CB C 30 32.700 32.700 31.903 0.797 25195 4773 1 8 . 1 1 31 31 VAL N N 31 112.100 112.100 122.795 -10.695 25195 4774 1 8 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.300 -0.140 25195 4775 1 8 . 1 1 31 31 VAL C C 31 175.000 175.000 175.236 -0.236 25195 4776 1 8 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.347 1.653 25195 4777 1 8 . 1 1 31 31 VAL CB C 31 31.500 31.500 34.570 -3.070 25195 4778 1 8 . 1 1 31 31 VAL H H 31 7.290 7.290 8.219 -0.929 25195 4779 1 8 . 1 1 32 32 CYS N N 32 126.100 126.100 125.641 0.459 25195 4780 1 8 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.388 -0.028 25195 4781 1 8 . 1 1 32 32 CYS CA C 32 59.300 59.300 60.148 -0.848 25195 4782 1 8 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.927 3.273 25195 4783 1 8 . 1 1 32 32 CYS H H 32 7.780 7.780 8.823 -1.043 25195 4784 1 8 . 1 1 33 33 GLY C C 33 177.400 177.400 175.646 1.754 25195 4785 1 8 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.471 1.228 25195 4786 1 8 . 1 1 34 34 THR N N 34 123.700 123.700 118.042 5.658 25195 4787 1 8 . 1 1 34 34 THR HA H 34 4.250 4.250 3.847 0.403 25195 4788 1 8 . 1 1 34 34 THR C C 34 175.600 175.600 176.302 -0.702 25195 4789 1 8 . 1 1 34 34 THR CA C 34 67.600 67.600 66.512 1.088 25195 4790 1 8 . 1 1 34 34 THR CB C 34 68.700 68.700 68.761 -0.061 25195 4791 1 8 . 1 1 34 34 THR H H 34 9.110 9.110 7.905 1.205 25195 4792 1 8 . 1 1 35 35 SER N N 35 123.600 123.600 117.585 6.015 25195 4793 1 8 . 1 1 35 35 SER C C 35 177.900 177.900 176.535 1.365 25195 4794 1 8 . 1 1 35 35 SER CA C 35 63.800 63.800 61.976 1.824 25195 4795 1 8 . 1 1 35 35 SER CB C 35 63.800 63.800 63.142 0.658 25195 4796 1 8 . 1 1 35 35 SER H H 35 9.530 9.530 8.201 1.329 25195 4797 1 8 . 1 1 36 36 ARG N N 36 113.400 113.400 120.275 -6.875 25195 4798 1 8 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.080 -0.080 25195 4799 1 8 . 1 1 36 36 ARG C C 36 179.200 179.200 178.608 0.592 25195 4800 1 8 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.124 2.176 25195 4801 1 8 . 1 1 36 36 ARG CB C 36 31.300 31.300 30.210 1.090 25195 4802 1 8 . 1 1 36 36 ARG H H 36 8.740 8.740 8.061 0.679 25195 4803 1 8 . 1 1 37 37 LYS N N 37 121.900 121.900 120.787 1.113 25195 4804 1 8 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.093 0.047 25195 4805 1 8 . 1 1 37 37 LYS C C 37 179.400 179.400 178.801 0.599 25195 4806 1 8 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.506 0.194 25195 4807 1 8 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.440 0.160 25195 4808 1 8 . 1 1 37 37 LYS H H 37 7.980 7.980 7.871 0.109 25195 4809 1 8 . 1 1 38 38 VAL N N 38 120.900 120.900 119.793 1.107 25195 4810 1 8 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.627 -0.007 25195 4811 1 8 . 1 1 38 38 VAL C C 38 177.300 177.300 177.869 -0.569 25195 4812 1 8 . 1 1 38 38 VAL CA C 38 67.300 67.300 67.344 -0.044 25195 4813 1 8 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.598 0.302 25195 4814 1 8 . 1 1 38 38 VAL H H 38 8.670 8.670 8.024 0.646 25195 4815 1 8 . 1 1 39 39 LEU N N 39 120.200 120.200 119.085 1.115 25195 4816 1 8 . 1 1 39 39 LEU C C 39 178.300 178.300 179.307 -1.007 25195 4817 1 8 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.931 0.669 25195 4818 1 8 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.199 0.401 25195 4819 1 8 . 1 1 39 39 LEU H H 39 8.300 8.300 8.599 -0.299 25195 4820 1 8 . 1 1 40 40 GLY N N 40 103.600 103.600 106.930 -3.330 25195 4821 1 8 . 1 1 40 40 GLY C C 40 176.600 176.600 176.141 0.459 25195 4822 1 8 . 1 1 40 40 GLY CA C 40 47.400 47.400 46.849 0.551 25195 4823 1 8 . 1 1 40 40 GLY H H 40 8.050 8.050 7.832 0.218 25195 4824 1 8 . 1 1 41 41 MET N N 41 122.300 122.300 122.098 0.202 25195 4825 1 8 . 1 1 41 41 MET HA H 41 4.030 4.030 4.000 0.030 25195 4826 1 8 . 1 1 41 41 MET C C 41 179.200 179.200 178.738 0.462 25195 4827 1 8 . 1 1 41 41 MET CA C 41 59.900 59.900 59.532 0.368 25195 4828 1 8 . 1 1 41 41 MET CB C 41 33.600 33.600 32.445 1.155 25195 4829 1 8 . 1 1 41 41 MET H H 41 8.310 8.310 7.946 0.365 25195 4830 1 8 . 1 1 42 42 ILE N N 42 120.600 120.600 118.906 1.694 25195 4831 1 8 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.574 -0.034 25195 4832 1 8 . 1 1 42 42 ILE C C 42 177.600 177.600 177.959 -0.359 25195 4833 1 8 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.057 1.143 25195 4834 1 8 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.278 1.822 25195 4835 1 8 . 1 1 42 42 ILE H H 42 8.260 8.260 8.158 0.102 25195 4836 1 8 . 1 1 43 43 ARG N N 43 117.200 117.200 119.562 -2.362 25195 4837 1 8 . 1 1 43 43 ARG C C 43 182.100 182.100 178.860 3.240 25195 4838 1 8 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.060 0.039 25195 4839 1 8 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.110 -0.710 25195 4840 1 8 . 1 1 43 43 ARG H H 43 7.810 7.810 8.036 -0.226 25195 4841 1 8 . 1 1 44 44 GLU N N 44 122.200 122.200 117.609 4.591 25195 4842 1 8 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.299 -0.249 25195 4843 1 8 . 1 1 44 44 GLU C C 44 177.600 177.600 177.591 0.009 25195 4844 1 8 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.069 1.031 25195 4845 1 8 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.523 -0.023 25195 4846 1 8 . 1 1 44 44 GLU H H 44 8.670 8.670 8.195 0.475 25195 4847 1 8 . 1 1 45 45 ALA N N 45 120.400 120.400 120.283 0.117 25195 4848 1 8 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.285 0.135 25195 4849 1 8 . 1 1 45 45 ALA C C 45 177.300 177.300 178.123 -0.823 25195 4850 1 8 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.619 -0.119 25195 4851 1 8 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.465 -1.065 25195 4852 1 8 . 1 1 45 45 ALA H H 45 7.430 7.430 7.776 -0.346 25195 4853 1 8 . 1 1 46 46 GLY N N 46 106.000 106.000 105.490 0.510 25195 4854 1 8 . 1 1 46 46 GLY C C 46 173.800 173.800 173.039 0.761 25195 4855 1 8 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.676 0.624 25195 4856 1 8 . 1 1 46 46 GLY H H 46 8.080 8.080 7.715 0.365 25195 4857 1 8 . 1 1 47 47 ILE N N 47 121.500 121.500 119.013 2.487 25195 4858 1 8 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.318 -0.218 25195 4859 1 8 . 1 1 47 47 ILE C C 47 174.100 174.100 173.859 0.241 25195 4860 1 8 . 1 1 47 47 ILE CA C 47 59.700 59.700 60.595 -0.895 25195 4861 1 8 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.044 -0.944 25195 4862 1 8 . 1 1 47 47 ILE H H 47 7.180 7.180 7.508 -0.328 25195 4863 1 8 . 1 1 48 48 GLU N N 48 127.000 127.000 125.439 1.561 25195 4864 1 8 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.606 0.594 25195 4865 1 8 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.181 -0.881 25195 4866 1 8 . 1 1 48 48 GLU CB C 48 29.400 29.400 29.847 -0.447 25195 4867 1 8 . 1 1 48 48 GLU H H 48 8.440 8.440 8.614 -0.174 25195 4868 1 8 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.608 0.032 25195 4869 1 8 . 1 1 49 49 PRO C C 49 175.200 175.200 176.160 -0.960 25195 4870 1 8 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.631 -0.731 25195 4871 1 8 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.920 -0.220 25195 4872 1 8 . 1 1 50 50 HIS N N 50 119.000 119.000 123.356 -4.356 25195 4873 1 8 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.697 0.003 25195 4874 1 8 . 1 1 50 50 HIS C C 50 174.200 174.200 174.551 -0.351 25195 4875 1 8 . 1 1 50 50 HIS CA C 50 55.400 55.400 55.553 -0.153 25195 4876 1 8 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.188 -2.088 25195 4877 1 8 . 1 1 50 50 HIS H H 50 9.160 9.160 8.609 0.551 25195 4878 1 8 . 1 1 51 51 VAL N N 51 128.400 128.400 126.614 1.786 25195 4879 1 8 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.308 -0.068 25195 4880 1 8 . 1 1 51 51 VAL C C 51 175.600 175.600 175.557 0.043 25195 4881 1 8 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.635 -0.435 25195 4882 1 8 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.630 0.570 25195 4883 1 8 . 1 1 51 51 VAL H H 51 8.760 8.760 8.709 0.051 25195 4884 1 8 . 1 1 52 52 ILE N N 52 129.400 129.400 129.261 0.139 25195 4885 1 8 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.406 -0.186 25195 4886 1 8 . 1 1 52 52 ILE C C 52 176.500 176.500 174.781 1.719 25195 4887 1 8 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.118 0.182 25195 4888 1 8 . 1 1 52 52 ILE CB C 52 38.200 38.200 41.526 -3.326 25195 4889 1 8 . 1 1 52 52 ILE H H 52 9.000 9.000 8.795 0.205 25195 4890 1 8 . 1 1 53 53 GLU N N 53 129.900 129.900 127.534 2.366 25195 4891 1 8 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.592 0.538 25195 4892 1 8 . 1 1 53 53 GLU C C 53 174.200 174.200 175.294 -1.094 25195 4893 1 8 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.396 0.504 25195 4894 1 8 . 1 1 53 53 GLU CB C 53 28.300 28.300 30.636 -2.336 25195 4895 1 8 . 1 1 53 53 GLU H H 53 9.180 9.180 8.728 0.452 25195 4896 1 8 . 1 1 54 54 TYR N N 54 124.200 124.200 126.746 -2.546 25195 4897 1 8 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.747 0.453 25195 4898 1 8 . 1 1 54 54 TYR C C 54 174.200 174.200 174.358 -0.158 25195 4899 1 8 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.753 -3.653 25195 4900 1 8 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.254 -2.253 25195 4901 1 8 . 1 1 54 54 TYR H H 54 8.460 8.460 8.599 -0.139 25195 4902 1 8 . 1 1 55 55 MET N N 55 121.900 121.900 128.228 -6.328 25195 4903 1 8 . 1 1 55 55 MET H H 55 7.660 7.660 8.176 -0.516 25195 4904 1 8 . 1 1 56 56 LYS C C 56 176.700 176.700 174.693 2.007 25195 4905 1 8 . 1 1 56 56 LYS CA C 56 56.900 56.900 55.349 1.551 25195 4906 1 8 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.524 -4.324 25195 4907 1 8 . 1 1 57 57 THR N N 57 114.700 114.700 113.830 0.870 25195 4908 1 8 . 1 1 57 57 THR HA H 57 4.720 4.720 4.149 0.571 25195 4909 1 8 . 1 1 57 57 THR CB C 57 70.500 70.500 68.019 2.481 25195 4910 1 8 . 1 1 57 57 THR H H 57 7.940 7.940 8.362 -0.422 25195 4911 1 8 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.434 0.266 25195 4912 1 8 . 1 1 58 58 PRO C C 58 177.400 177.400 176.139 1.261 25195 4913 1 8 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.271 -0.471 25195 4914 1 8 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.328 0.272 25195 4915 1 8 . 1 1 59 59 LEU N N 59 125.300 125.300 120.249 5.051 25195 4916 1 8 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.805 -0.225 25195 4917 1 8 . 1 1 59 59 LEU CB C 59 42.300 42.300 42.550 -0.251 25195 4918 1 8 . 1 1 59 59 LEU H H 59 8.760 8.760 8.042 0.718 25195 4919 1 8 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.546 -0.036 25195 4920 1 8 . 1 1 60 60 PRO C C 60 178.400 178.400 177.793 0.607 25195 4921 1 8 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.138 -0.038 25195 4922 1 8 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.565 -0.265 25195 4923 1 8 . 1 1 61 61 ARG N N 61 125.800 125.800 118.824 6.976 25195 4924 1 8 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.883 -0.183 25195 4925 1 8 . 1 1 61 61 ARG C C 61 177.800 177.800 177.541 0.259 25195 4926 1 8 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.981 0.819 25195 4927 1 8 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.125 1.275 25195 4928 1 8 . 1 1 61 61 ARG H H 61 8.980 8.980 8.730 0.249 25195 4929 1 8 . 1 1 62 62 ASP N N 62 113.300 113.300 120.363 -7.063 25195 4930 1 8 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.420 -0.180 25195 4931 1 8 . 1 1 62 62 ASP C C 62 179.100 179.100 178.862 0.238 25195 4932 1 8 . 1 1 62 62 ASP CA C 62 57.000 57.000 56.970 0.030 25195 4933 1 8 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.017 -0.317 25195 4934 1 8 . 1 1 62 62 ASP H H 62 8.820 8.820 8.767 0.053 25195 4935 1 8 . 1 1 63 63 MET N N 63 118.800 118.800 118.713 0.087 25195 4936 1 8 . 1 1 63 63 MET HA H 63 4.460 4.460 4.325 0.135 25195 4937 1 8 . 1 1 63 63 MET C C 63 177.700 177.700 178.808 -1.108 25195 4938 1 8 . 1 1 63 63 MET CA C 63 57.200 57.200 57.264 -0.064 25195 4939 1 8 . 1 1 63 63 MET CB C 63 32.500 32.500 31.929 0.571 25195 4940 1 8 . 1 1 63 63 MET H H 63 7.340 7.340 7.319 0.021 25195 4941 1 8 . 1 1 64 64 LEU N N 64 121.000 121.000 121.686 -0.686 25195 4942 1 8 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.013 -0.053 25195 4943 1 8 . 1 1 64 64 LEU C C 64 178.000 178.000 178.430 -0.430 25195 4944 1 8 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.539 -0.239 25195 4945 1 8 . 1 1 64 64 LEU CB C 64 41.400 41.400 42.026 -0.626 25195 4946 1 8 . 1 1 64 64 LEU H H 64 7.570 7.570 8.465 -0.895 25195 4947 1 8 . 1 1 65 65 VAL N N 65 117.200 117.200 119.690 -2.490 25195 4948 1 8 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.666 -0.236 25195 4949 1 8 . 1 1 65 65 VAL C C 65 178.500 178.500 177.430 1.070 25195 4950 1 8 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.492 1.108 25195 4951 1 8 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.981 0.019 25195 4952 1 8 . 1 1 65 65 VAL H H 65 8.250 8.250 8.476 -0.226 25195 4953 1 8 . 1 1 66 66 GLU N N 66 120.200 120.200 120.248 -0.048 25195 4954 1 8 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.134 0.206 25195 4955 1 8 . 1 1 66 66 GLU C C 66 178.500 178.500 178.935 -0.435 25195 4956 1 8 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.030 -0.330 25195 4957 1 8 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.307 -0.107 25195 4958 1 8 . 1 1 66 66 GLU H H 66 7.510 7.510 8.044 -0.534 25195 4959 1 8 . 1 1 67 67 LEU N N 67 121.100 121.100 119.968 1.132 25195 4960 1 8 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.146 -0.156 25195 4961 1 8 . 1 1 67 67 LEU C C 67 179.400 179.400 178.962 0.438 25195 4962 1 8 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.791 0.609 25195 4963 1 8 . 1 1 67 67 LEU CB C 67 41.800 41.800 41.820 -0.020 25195 4964 1 8 . 1 1 67 67 LEU H H 67 8.480 8.480 7.945 0.535 25195 4965 1 8 . 1 1 68 68 LEU N N 68 118.500 118.500 118.285 0.215 25195 4966 1 8 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.274 -0.494 25195 4967 1 8 . 1 1 68 68 LEU C C 68 179.100 179.100 178.341 0.759 25195 4968 1 8 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.825 0.875 25195 4969 1 8 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.528 -0.128 25195 4970 1 8 . 1 1 68 68 LEU H H 68 8.250 8.250 8.488 -0.237 25195 4971 1 8 . 1 1 69 69 ARG N N 69 119.200 119.200 118.312 0.888 25195 4972 1 8 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.285 -0.235 25195 4973 1 8 . 1 1 69 69 ARG C C 69 180.400 180.400 178.194 2.206 25195 4974 1 8 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.308 1.192 25195 4975 1 8 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.003 0.097 25195 4976 1 8 . 1 1 69 69 ARG H H 69 7.950 7.950 8.204 -0.254 25195 4977 1 8 . 1 1 70 70 GLN N N 70 118.500 118.500 117.256 1.244 25195 4978 1 8 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.206 -0.176 25195 4979 1 8 . 1 1 70 70 GLN C C 70 179.900 179.900 178.021 1.879 25195 4980 1 8 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.689 1.211 25195 4981 1 8 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.515 0.885 25195 4982 1 8 . 1 1 70 70 GLN H H 70 8.450 8.450 7.847 0.603 25195 4983 1 8 . 1 1 71 71 MET N N 71 117.500 117.500 119.108 -1.608 25195 4984 1 8 . 1 1 71 71 MET HA H 71 4.140 4.140 4.137 0.003 25195 4985 1 8 . 1 1 71 71 MET C C 71 175.200 175.200 177.060 -1.860 25195 4986 1 8 . 1 1 71 71 MET CA C 71 58.200 58.200 58.027 0.173 25195 4987 1 8 . 1 1 71 71 MET CB C 71 36.200 36.200 33.115 3.084 25195 4988 1 8 . 1 1 71 71 MET H H 71 8.380 8.380 7.829 0.551 25195 4989 1 8 . 1 1 72 72 ALA N N 72 120.400 120.400 117.527 2.873 25195 4990 1 8 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.464 -0.434 25195 4991 1 8 . 1 1 72 72 ALA C C 72 176.600 176.600 176.838 -0.238 25195 4992 1 8 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.239 0.561 25195 4993 1 8 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.329 -4.829 25195 4994 1 8 . 1 1 72 72 ALA H H 72 8.100 8.100 7.615 0.485 25195 4995 1 8 . 1 1 73 73 ILE N N 73 108.600 108.600 114.710 -6.110 25195 4996 1 8 . 1 1 73 73 ILE C C 73 174.700 174.700 174.777 -0.077 25195 4997 1 8 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.819 0.081 25195 4998 1 8 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.210 2.390 25195 4999 1 8 . 1 1 73 73 ILE H H 73 7.240 7.240 7.849 -0.609 25195 5000 1 8 . 1 1 74 74 SER N N 74 116.500 116.500 117.963 -1.463 25195 5001 1 8 . 1 1 74 74 SER HA H 74 4.780 4.780 4.586 0.194 25195 5002 1 8 . 1 1 74 74 SER CA C 74 55.900 55.900 58.671 -2.771 25195 5003 1 8 . 1 1 74 74 SER CB C 74 63.500 63.500 62.568 0.932 25195 5004 1 8 . 1 1 74 74 SER H H 74 8.290 8.290 8.608 -0.318 25195 5005 1 8 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.375 0.385 25195 5006 1 8 . 1 1 75 75 PRO C C 75 178.200 178.200 178.030 0.170 25195 5007 1 8 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.321 1.279 25195 5008 1 8 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.906 0.194 25195 5009 1 8 . 1 1 76 76 ARG N N 76 114.400 114.400 118.226 -3.826 25195 5010 1 8 . 1 1 76 76 ARG C C 76 178.100 178.100 175.785 2.315 25195 5011 1 8 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.773 1.227 25195 5012 1 8 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.433 -0.033 25195 5013 1 8 . 1 1 76 76 ARG H H 76 8.340 8.340 8.505 -0.165 25195 5014 1 8 . 1 1 77 77 ALA N N 77 119.400 119.400 119.671 -0.271 25195 5015 1 8 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.512 -0.282 25195 5016 1 8 . 1 1 77 77 ALA C C 77 178.100 178.100 176.685 1.415 25195 5017 1 8 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.116 2.684 25195 5018 1 8 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.078 -0.478 25195 5019 1 8 . 1 1 77 77 ALA H H 77 7.720 7.720 7.513 0.207 25195 5020 1 8 . 1 1 78 78 LEU N N 78 119.400 119.400 120.188 -0.788 25195 5021 1 8 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.423 -0.043 25195 5022 1 8 . 1 1 78 78 LEU C C 78 174.800 174.800 176.621 -1.821 25195 5023 1 8 . 1 1 78 78 LEU CA C 78 52.900 52.900 54.835 -1.935 25195 5024 1 8 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.696 0.404 25195 5025 1 8 . 1 1 78 78 LEU H H 78 7.610 7.610 7.346 0.264 25195 5026 1 8 . 1 1 79 79 LEU N N 79 118.700 118.700 121.352 -2.652 25195 5027 1 8 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.962 0.688 25195 5028 1 8 . 1 1 79 79 LEU C C 79 178.900 178.900 176.550 2.350 25195 5029 1 8 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.770 0.330 25195 5030 1 8 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.533 5.067 25195 5031 1 8 . 1 1 79 79 LEU H H 79 7.220 7.220 7.620 -0.400 25195 5032 1 8 . 1 1 80 80 ARG N N 80 124.000 124.000 124.291 -0.291 25195 5033 1 8 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.065 0.155 25195 5034 1 8 . 1 1 80 80 ARG C C 80 174.800 174.800 175.779 -0.979 25195 5035 1 8 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.350 -0.150 25195 5036 1 8 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.633 0.067 25195 5037 1 8 . 1 1 80 80 ARG H H 80 8.780 8.780 7.939 0.841 25195 5038 1 8 . 1 1 81 81 ALA N N 81 124.400 124.400 122.469 1.931 25195 5039 1 8 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.277 -1.787 25195 5040 1 8 . 1 1 81 81 ALA C C 81 177.600 177.600 178.771 -1.171 25195 5041 1 8 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.561 -1.861 25195 5042 1 8 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.961 -0.361 25195 5043 1 8 . 1 1 81 81 ALA H H 81 7.420 7.420 8.419 -0.999 25195 5044 1 8 . 1 1 82 82 LYS N N 82 114.500 114.500 117.364 -2.864 25195 5045 1 8 . 1 1 82 82 LYS HA H 82 4.250 4.250 3.995 0.255 25195 5046 1 8 . 1 1 82 82 LYS C C 82 177.700 177.700 178.238 -0.538 25195 5047 1 8 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.285 -2.485 25195 5048 1 8 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.055 -0.655 25195 5049 1 8 . 1 1 82 82 LYS H H 82 8.190 8.190 8.298 -0.108 25195 5050 1 8 . 1 1 83 83 GLU N N 83 118.700 118.700 119.510 -0.810 25195 5051 1 8 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.366 -0.166 25195 5052 1 8 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.164 1.636 25195 5053 1 8 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.765 1.534 25195 5054 1 8 . 1 1 83 83 GLU H H 83 7.120 7.120 7.770 -0.650 25195 5055 1 8 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.899 0.311 25195 5056 1 8 . 1 1 84 84 ALA C C 84 180.900 180.900 179.208 1.692 25195 5057 1 8 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.754 -0.054 25195 5058 1 8 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.819 -1.019 25195 5059 1 8 . 1 1 85 85 ARG N N 85 115.800 115.800 118.988 -3.188 25195 5060 1 8 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.960 0.100 25195 5061 1 8 . 1 1 85 85 ARG C C 85 178.200 178.200 177.930 0.270 25195 5062 1 8 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.998 -2.099 25195 5063 1 8 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.774 0.126 25195 5064 1 8 . 1 1 85 85 ARG H H 85 9.280 9.280 8.098 1.182 25195 5065 1 8 . 1 1 86 86 TYR N N 86 118.300 118.300 119.896 -1.596 25195 5066 1 8 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.059 -0.219 25195 5067 1 8 . 1 1 86 86 TYR C C 86 176.500 176.500 176.800 -0.300 25195 5068 1 8 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.447 -0.247 25195 5069 1 8 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.834 0.366 25195 5070 1 8 . 1 1 86 86 TYR H H 86 7.270 7.270 8.669 -1.399 25195 5071 1 8 . 1 1 87 87 ALA N N 87 120.500 120.500 119.309 1.191 25195 5072 1 8 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.406 0.934 25195 5073 1 8 . 1 1 87 87 ALA C C 87 181.900 181.900 180.040 1.860 25195 5074 1 8 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.194 0.206 25195 5075 1 8 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.915 0.485 25195 5076 1 8 . 1 1 87 87 ALA H H 87 7.110 7.110 7.808 -0.698 25195 5077 1 8 . 1 1 88 88 GLU N N 88 119.500 119.500 120.100 -0.600 25195 5078 1 8 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.021 -0.041 25195 5079 1 8 . 1 1 88 88 GLU C C 88 178.800 178.800 178.444 0.356 25195 5080 1 8 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.773 0.527 25195 5081 1 8 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.549 0.951 25195 5082 1 8 . 1 1 88 88 GLU H H 88 8.240 8.240 8.039 0.201 25195 5083 1 8 . 1 1 89 89 LEU N N 89 115.100 115.100 117.258 -2.158 25195 5084 1 8 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.220 0.060 25195 5085 1 8 . 1 1 89 89 LEU C C 89 176.900 176.900 177.376 -0.476 25195 5086 1 8 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.490 -0.990 25195 5087 1 8 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.325 0.475 25195 5088 1 8 . 1 1 89 89 LEU H H 89 7.430 7.430 7.935 -0.505 25195 5089 1 8 . 1 1 90 90 GLY N N 90 108.200 108.200 106.062 2.138 25195 5090 1 8 . 1 1 90 90 GLY C C 90 176.900 176.900 175.842 1.058 25195 5091 1 8 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.575 1.425 25195 5092 1 8 . 1 1 90 90 GLY H H 90 7.690 7.690 7.599 0.091 25195 5093 1 8 . 1 1 91 91 LEU N N 91 113.000 113.000 119.863 -6.863 25195 5094 1 8 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.062 -0.292 25195 5095 1 8 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.251 -1.551 25195 5096 1 8 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.026 -1.726 25195 5097 1 8 . 1 1 91 91 LEU H H 91 7.000 7.000 7.375 -0.375 25195 5098 1 8 . 1 1 92 92 ASP N N 92 117.000 117.000 115.547 1.453 25195 5099 1 8 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.514 -0.074 25195 5100 1 8 . 1 1 92 92 ASP C C 92 175.400 175.400 175.921 -0.521 25195 5101 1 8 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.201 -0.401 25195 5102 1 8 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.794 -0.094 25195 5103 1 8 . 1 1 92 92 ASP H H 92 8.510 8.510 7.904 0.606 25195 5104 1 8 . 1 1 93 93 ASP N N 93 120.600 120.600 120.018 0.582 25195 5105 1 8 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.583 -0.003 25195 5106 1 8 . 1 1 93 93 ASP C C 93 176.000 176.000 176.130 -0.130 25195 5107 1 8 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.981 -1.881 25195 5108 1 8 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.897 0.603 25195 5109 1 8 . 1 1 93 93 ASP H H 93 7.000 7.000 7.574 -0.574 25195 5110 1 8 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.314 -0.014 25195 5111 1 8 . 1 1 94 94 PRO C C 94 178.100 178.100 176.475 1.625 25195 5112 1 8 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.531 0.269 25195 5113 1 8 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.085 0.115 25195 5114 1 8 . 1 1 95 95 ALA N N 95 121.900 121.900 121.373 0.527 25195 5115 1 8 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.408 -0.138 25195 5116 1 8 . 1 1 95 95 ALA C C 95 178.400 178.400 176.797 1.603 25195 5117 1 8 . 1 1 95 95 ALA CA C 95 52.500 52.500 51.874 0.626 25195 5118 1 8 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.448 0.752 25195 5119 1 8 . 1 1 95 95 ALA H H 95 8.610 8.610 8.046 0.564 25195 5120 1 8 . 1 1 96 96 LEU N N 96 117.600 117.600 119.074 -1.474 25195 5121 1 8 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.698 -0.528 25195 5122 1 8 . 1 1 96 96 LEU C C 96 177.600 177.600 175.867 1.733 25195 5123 1 8 . 1 1 96 96 LEU CA C 96 55.500 55.500 54.127 1.373 25195 5124 1 8 . 1 1 96 96 LEU CB C 96 42.400 42.400 44.219 -1.819 25195 5125 1 8 . 1 1 96 96 LEU H H 96 7.010 7.010 7.479 -0.469 25195 5126 1 8 . 1 1 97 97 SER N N 97 119.200 119.200 113.519 5.681 25195 5127 1 8 . 1 1 97 97 SER HA H 97 4.360 4.360 4.780 -0.420 25195 5128 1 8 . 1 1 97 97 SER C C 97 174.400 174.400 174.246 0.154 25195 5129 1 8 . 1 1 97 97 SER CA C 97 57.300 57.300 57.098 0.202 25195 5130 1 8 . 1 1 97 97 SER CB C 97 64.900 64.900 65.758 -0.858 25195 5131 1 8 . 1 1 97 97 SER H H 97 8.620 8.620 8.042 0.578 25195 5132 1 8 . 1 1 98 98 ASP N N 98 122.000 122.000 123.327 -1.327 25195 5133 1 8 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.356 -0.086 25195 5134 1 8 . 1 1 98 98 ASP C C 98 178.100 178.100 178.359 -0.259 25195 5135 1 8 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.322 0.478 25195 5136 1 8 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.843 -0.743 25195 5137 1 8 . 1 1 98 98 ASP H H 98 9.050 9.050 8.792 0.258 25195 5138 1 8 . 1 1 99 99 GLU N N 99 116.100 116.100 120.180 -4.080 25195 5139 1 8 . 1 1 99 99 GLU HA H 99 3.790 3.790 3.996 -0.206 25195 5140 1 8 . 1 1 99 99 GLU C C 99 176.800 176.800 178.730 -1.930 25195 5141 1 8 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.681 0.219 25195 5142 1 8 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.541 -0.341 25195 5143 1 8 . 1 1 99 99 GLU H H 99 8.250 8.250 8.536 -0.286 25195 5144 1 8 . 1 1 100 100 VAL N N 100 118.000 118.000 117.644 0.356 25195 5145 1 8 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.824 -0.014 25195 5146 1 8 . 1 1 100 100 VAL C C 100 179.200 179.200 178.039 1.161 25195 5147 1 8 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.725 -0.125 25195 5148 1 8 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.323 0.077 25195 5149 1 8 . 1 1 100 100 VAL H H 100 7.290 7.290 7.475 -0.185 25195 5150 1 8 . 1 1 101 101 LEU N N 101 120.100 120.100 120.528 -0.428 25195 5151 1 8 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.012 -0.062 25195 5152 1 8 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.097 0.003 25195 5153 1 8 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.804 0.696 25195 5154 1 8 . 1 1 101 101 LEU H H 101 7.610 7.610 7.863 -0.253 25195 5155 1 8 . 1 1 102 102 ILE N N 102 118.900 118.900 120.092 -1.192 25195 5156 1 8 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.564 -0.144 25195 5157 1 8 . 1 1 102 102 ILE C C 102 177.700 177.700 177.733 -0.033 25195 5158 1 8 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.460 -0.060 25195 5159 1 8 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.682 0.818 25195 5160 1 8 . 1 1 102 102 ILE H H 102 8.260 8.260 8.600 -0.340 25195 5161 1 8 . 1 1 103 103 ASP N N 103 118.000 118.000 119.889 -1.889 25195 5162 1 8 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.261 0.059 25195 5163 1 8 . 1 1 103 103 ASP C C 103 179.400 179.400 178.379 1.021 25195 5164 1 8 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.602 0.198 25195 5165 1 8 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.683 -0.583 25195 5166 1 8 . 1 1 103 103 ASP H H 103 8.080 8.080 8.090 -0.010 25195 5167 1 8 . 1 1 104 104 ALA N N 104 121.500 121.500 121.415 0.085 25195 5168 1 8 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.167 -0.097 25195 5169 1 8 . 1 1 104 104 ALA C C 104 179.900 179.900 179.491 0.409 25195 5170 1 8 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.835 0.565 25195 5171 1 8 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.533 -0.833 25195 5172 1 8 . 1 1 104 104 ALA H H 104 8.210 8.210 7.867 0.343 25195 5173 1 8 . 1 1 105 105 MET N N 105 115.800 115.800 119.309 -3.509 25195 5174 1 8 . 1 1 105 105 MET HA H 105 3.940 3.940 4.104 -0.164 25195 5175 1 8 . 1 1 105 105 MET C C 105 176.700 176.700 178.474 -1.774 25195 5176 1 8 . 1 1 105 105 MET CA C 105 59.500 59.500 59.077 0.423 25195 5177 1 8 . 1 1 105 105 MET CB C 105 35.400 35.400 33.040 2.360 25195 5178 1 8 . 1 1 105 105 MET H H 105 7.520 7.520 7.746 -0.226 25195 5179 1 8 . 1 1 106 106 ILE N N 106 118.100 118.100 115.249 2.851 25195 5180 1 8 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.885 0.135 25195 5181 1 8 . 1 1 106 106 ILE C C 106 178.200 178.200 177.426 0.774 25195 5182 1 8 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.016 -1.016 25195 5183 1 8 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.573 0.127 25195 5184 1 8 . 1 1 106 106 ILE H H 106 7.730 7.730 8.563 -0.833 25195 5185 1 8 . 1 1 107 107 SER N N 107 112.400 112.400 113.751 -1.351 25195 5186 1 8 . 1 1 107 107 SER HA H 107 4.340 4.340 4.413 -0.073 25195 5187 1 8 . 1 1 107 107 SER C C 107 174.800 174.800 175.178 -0.378 25195 5188 1 8 . 1 1 107 107 SER CA C 107 60.400 60.400 59.402 0.998 25195 5189 1 8 . 1 1 107 107 SER CB C 107 64.000 64.000 64.662 -0.662 25195 5190 1 8 . 1 1 107 107 SER H H 107 8.160 8.160 7.527 0.633 25195 5191 1 8 . 1 1 108 108 ASN N N 108 116.400 116.400 120.639 -4.239 25195 5192 1 8 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.988 0.302 25195 5193 1 8 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.382 -1.282 25195 5194 1 8 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.512 1.688 25195 5195 1 8 . 1 1 108 108 ASN H H 108 7.700 7.700 7.854 -0.154 25195 5196 1 8 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.392 0.378 25195 5197 1 8 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.951 0.849 25195 5198 1 8 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.739 0.461 25195 5199 1 8 . 1 1 110 110 VAL N N 110 119.100 119.100 113.651 5.449 25195 5200 1 8 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.865 0.185 25195 5201 1 8 . 1 1 110 110 VAL C C 110 175.200 175.200 176.543 -1.343 25195 5202 1 8 . 1 1 110 110 VAL CA C 110 64.600 64.600 64.089 0.511 25195 5203 1 8 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.019 0.181 25195 5204 1 8 . 1 1 110 110 VAL H H 110 8.280 8.280 7.759 0.521 25195 5205 1 8 . 1 1 111 111 LEU N N 111 115.200 115.200 114.256 0.944 25195 5206 1 8 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.629 -0.229 25195 5207 1 8 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.058 2.142 25195 5208 1 8 . 1 1 111 111 LEU H H 111 8.420 8.420 7.283 1.137 25195 5209 1 8 . 1 1 112 112 MET N N 112 118.900 118.900 120.412 -1.512 25195 5210 1 8 . 1 1 112 112 MET HA H 112 4.060 4.060 4.166 -0.106 25195 5211 1 8 . 1 1 112 112 MET CA C 112 56.500 56.500 56.994 -0.494 25195 5212 1 8 . 1 1 112 112 MET CB C 112 35.600 35.600 31.579 4.021 25195 5213 1 8 . 1 1 112 112 MET H H 112 7.940 7.940 7.766 0.174 25195 5214 1 8 . 1 1 113 113 ASN N N 113 125.800 125.800 121.057 4.743 25195 5215 1 8 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.762 -0.122 25195 5216 1 8 . 1 1 113 113 ASN C C 113 170.700 170.700 175.819 -5.119 25195 5217 1 8 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.434 -1.234 25195 5218 1 8 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.735 -1.835 25195 5219 1 8 . 1 1 113 113 ASN H H 113 9.140 9.140 8.209 0.931 25195 5220 1 8 . 1 1 114 114 ARG N N 114 113.200 113.200 120.388 -7.188 25195 5221 1 8 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.088 -4.288 25195 5222 1 8 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.596 2.204 25195 5223 1 8 . 1 1 114 114 ARG H H 114 7.970 7.970 8.198 -0.228 25195 5224 1 8 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.805 0.015 25195 5225 1 8 . 1 1 115 115 PRO C C 115 175.400 175.400 176.126 -0.726 25195 5226 1 8 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.772 -0.172 25195 5227 1 8 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.233 2.167 25195 5228 1 8 . 1 1 116 116 VAL N N 116 124.500 124.500 126.363 -1.863 25195 5229 1 8 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.441 0.639 25195 5230 1 8 . 1 1 116 116 VAL C C 116 174.500 174.500 174.242 0.258 25195 5231 1 8 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.641 0.859 25195 5232 1 8 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.554 -2.554 25195 5233 1 8 . 1 1 116 116 VAL H H 116 7.840 7.840 8.789 -0.949 25195 5234 1 8 . 1 1 117 117 VAL N N 117 128.000 128.000 127.724 0.276 25195 5235 1 8 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.518 0.262 25195 5236 1 8 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.003 0.997 25195 5237 1 8 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.121 0.679 25195 5238 1 8 . 1 1 117 117 VAL H H 117 8.670 8.670 9.170 -0.500 25195 5239 1 8 . 1 1 118 118 VAL N N 118 125.700 125.700 129.353 -3.653 25195 5240 1 8 . 1 1 118 118 VAL C C 118 175.700 175.700 174.611 1.089 25195 5241 1 8 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.017 0.182 25195 5242 1 8 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.282 2.717 25195 5243 1 8 . 1 1 118 118 VAL H H 118 9.110 9.110 9.183 -0.073 25195 5244 1 8 . 1 1 119 119 THR N N 119 118.500 118.500 118.947 -0.447 25195 5245 1 8 . 1 1 119 119 THR HA H 119 5.490 5.490 4.971 0.519 25195 5246 1 8 . 1 1 119 119 THR CA C 119 58.800 58.800 58.609 0.191 25195 5247 1 8 . 1 1 119 119 THR CB C 119 69.800 69.800 70.835 -1.035 25195 5248 1 8 . 1 1 119 119 THR H H 119 9.370 9.370 8.742 0.628 25195 5249 1 8 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.461 0.019 25195 5250 1 8 . 1 1 120 120 PRO C C 120 177.800 177.800 177.011 0.789 25195 5251 1 8 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.570 0.530 25195 5252 1 8 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.744 0.556 25195 5253 1 8 . 1 1 121 121 LYS N N 121 113.600 113.600 117.020 -3.420 25195 5254 1 8 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.468 -0.208 25195 5255 1 8 . 1 1 121 121 LYS C C 121 176.400 176.400 176.122 0.278 25195 5256 1 8 . 1 1 121 121 LYS CA C 121 57.200 57.200 56.041 1.159 25195 5257 1 8 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.722 0.078 25195 5258 1 8 . 1 1 121 121 LYS H H 121 8.360 8.360 8.035 0.325 25195 5259 1 8 . 1 1 122 122 GLY N N 122 108.400 108.400 107.629 0.771 25195 5260 1 8 . 1 1 122 122 GLY C C 122 169.500 169.500 171.507 -2.007 25195 5261 1 8 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.915 0.185 25195 5262 1 8 . 1 1 122 122 GLY H H 122 7.900 7.900 7.528 0.372 25195 5263 1 8 . 1 1 123 123 VAL N N 123 117.100 117.100 120.251 -3.151 25195 5264 1 8 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.083 0.377 25195 5265 1 8 . 1 1 123 123 VAL C C 123 176.100 176.100 174.485 1.615 25195 5266 1 8 . 1 1 123 123 VAL CA C 123 60.000 60.000 59.399 0.601 25195 5267 1 8 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.953 -0.153 25195 5268 1 8 . 1 1 123 123 VAL H H 123 8.080 8.080 8.403 -0.323 25195 5269 1 8 . 1 1 124 124 ARG N N 124 122.300 122.300 125.868 -3.568 25195 5270 1 8 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.575 0.085 25195 5271 1 8 . 1 1 124 124 ARG C C 124 174.800 174.800 173.765 1.035 25195 5272 1 8 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.030 0.370 25195 5273 1 8 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.278 1.623 25195 5274 1 8 . 1 1 124 124 ARG H H 124 8.510 8.510 8.887 -0.377 25195 5275 1 8 . 1 1 125 125 LEU N N 125 125.500 125.500 121.752 3.748 25195 5276 1 8 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.451 0.149 25195 5277 1 8 . 1 1 125 125 LEU C C 125 176.500 176.500 178.902 -2.402 25195 5278 1 8 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.410 -0.709 25195 5279 1 8 . 1 1 125 125 LEU CB C 125 40.900 40.900 40.727 0.173 25195 5280 1 8 . 1 1 125 125 LEU H H 125 8.860 8.860 8.619 0.241 25195 5281 1 8 . 1 1 126 126 CYS N N 126 129.700 129.700 123.783 5.917 25195 5282 1 8 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.154 0.336 25195 5283 1 8 . 1 1 126 126 CYS C C 126 172.000 172.000 174.493 -2.493 25195 5284 1 8 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.767 0.134 25195 5285 1 8 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.698 -0.398 25195 5286 1 8 . 1 1 126 126 CYS H H 126 8.540 8.540 8.665 -0.125 25195 5287 1 8 . 1 1 127 127 ARG N N 127 117.500 117.500 118.378 -0.878 25195 5288 1 8 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.697 -0.507 25195 5289 1 8 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.024 0.176 25195 5290 1 8 . 1 1 127 127 ARG CB C 127 33.400 33.400 32.392 1.008 25195 5291 1 8 . 1 1 127 127 ARG H H 127 6.930 6.930 7.150 -0.220 25195 5292 1 8 . 1 1 128 128 PRO C C 128 177.100 177.100 176.935 0.165 25195 5293 1 8 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.483 0.717 25195 5294 1 8 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.745 2.555 25195 5295 1 8 . 1 1 129 129 ALA N N 129 124.000 124.000 120.541 3.459 25195 5296 1 8 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.055 -0.205 25195 5297 1 8 . 1 1 129 129 ALA C C 129 177.700 177.700 179.892 -2.192 25195 5298 1 8 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.897 0.303 25195 5299 1 8 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.423 1.477 25195 5300 1 8 . 1 1 129 129 ALA H H 129 9.320 9.320 8.560 0.760 25195 5301 1 8 . 1 1 130 130 GLU N N 130 111.600 111.600 117.304 -5.704 25195 5302 1 8 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.059 -0.219 25195 5303 1 8 . 1 1 130 130 GLU C C 130 178.200 178.200 178.760 -0.560 25195 5304 1 8 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.452 1.048 25195 5305 1 8 . 1 1 130 130 GLU CB C 130 28.100 28.100 28.996 -0.896 25195 5306 1 8 . 1 1 130 130 GLU H H 130 9.490 9.490 8.768 0.722 25195 5307 1 8 . 1 1 131 131 THR N N 131 116.100 116.100 113.357 2.743 25195 5308 1 8 . 1 1 131 131 THR HA H 131 4.040 4.040 4.119 -0.079 25195 5309 1 8 . 1 1 131 131 THR C C 131 175.800 175.800 176.473 -0.673 25195 5310 1 8 . 1 1 131 131 THR CA C 131 65.600 65.600 65.746 -0.146 25195 5311 1 8 . 1 1 131 131 THR CB C 131 69.800 69.800 68.785 1.015 25195 5312 1 8 . 1 1 131 131 THR H H 131 7.940 7.940 7.712 0.228 25195 5313 1 8 . 1 1 132 132 VAL N N 132 119.200 119.200 122.344 -3.144 25195 5314 1 8 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.685 0.195 25195 5315 1 8 . 1 1 132 132 VAL C C 132 176.500 176.500 177.179 -0.679 25195 5316 1 8 . 1 1 132 132 VAL CA C 132 64.100 64.100 66.279 -2.179 25195 5317 1 8 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.859 0.541 25195 5318 1 8 . 1 1 132 132 VAL H H 132 8.130 8.130 7.662 0.468 25195 5319 1 8 . 1 1 133 133 GLN N N 133 118.500 118.500 118.359 0.141 25195 5320 1 8 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.106 -0.256 25195 5321 1 8 . 1 1 133 133 GLN C C 133 178.500 178.500 177.556 0.944 25195 5322 1 8 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.274 0.526 25195 5323 1 8 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.283 -0.283 25195 5324 1 8 . 1 1 133 133 GLN H H 133 7.690 7.690 8.181 -0.491 25195 5325 1 8 . 1 1 134 134 GLU N N 134 115.200 115.200 119.450 -4.250 25195 5326 1 8 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.127 0.013 25195 5327 1 8 . 1 1 134 134 GLU C C 134 177.000 177.000 178.122 -1.122 25195 5328 1 8 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.974 -0.174 25195 5329 1 8 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.076 -0.176 25195 5330 1 8 . 1 1 134 134 GLU H H 134 7.620 7.620 7.729 -0.109 25195 5331 1 8 . 1 1 135 135 LEU N N 135 115.600 115.600 119.664 -4.064 25195 5332 1 8 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.220 -0.000 25195 5333 1 8 . 1 1 135 135 LEU C C 135 176.100 176.100 176.757 -0.657 25195 5334 1 8 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.873 -3.073 25195 5335 1 8 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.783 0.517 25195 5336 1 8 . 1 1 135 135 LEU H H 135 7.740 7.740 7.766 -0.026 25195 5337 1 9 . 1 1 9 9 MET C C 9 176.700 176.700 174.155 2.545 25195 5338 1 9 . 1 1 9 9 MET CA C 9 55.600 55.600 55.269 0.331 25195 5339 1 9 . 1 1 9 9 MET CB C 9 32.700 32.700 35.230 -2.530 25195 5340 1 9 . 1 1 10 10 GLY N N 10 109.800 109.800 108.961 0.839 25195 5341 1 9 . 1 1 10 10 GLY C C 10 174.400 174.400 172.728 1.672 25195 5342 1 9 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.446 0.854 25195 5343 1 9 . 1 1 10 10 GLY H H 10 8.480 8.480 8.768 -0.288 25195 5344 1 9 . 1 1 11 11 THR N N 11 113.500 113.500 113.152 0.348 25195 5345 1 9 . 1 1 11 11 THR HA H 11 4.330 4.330 4.971 -0.641 25195 5346 1 9 . 1 1 11 11 THR CA C 11 62.100 62.100 61.715 0.385 25195 5347 1 9 . 1 1 11 11 THR CB C 11 69.900 69.900 71.422 -1.522 25195 5348 1 9 . 1 1 11 11 THR H H 11 8.080 8.080 8.582 -0.502 25195 5349 1 9 . 1 1 12 12 LEU N N 12 123.900 123.900 121.228 2.672 25195 5350 1 9 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.943 -0.633 25195 5351 1 9 . 1 1 12 12 LEU C C 12 177.700 177.700 174.933 2.767 25195 5352 1 9 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.599 1.200 25195 5353 1 9 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.109 -1.909 25195 5354 1 9 . 1 1 12 12 LEU H H 12 8.390 8.390 8.571 -0.181 25195 5355 1 9 . 1 1 13 13 GLU N N 13 121.300 121.300 120.423 0.877 25195 5356 1 9 . 1 1 13 13 GLU HA H 13 4.200 4.200 5.245 -1.045 25195 5357 1 9 . 1 1 13 13 GLU C C 13 176.500 176.500 174.668 1.832 25195 5358 1 9 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.859 1.241 25195 5359 1 9 . 1 1 13 13 GLU CB C 13 29.900 29.900 32.148 -2.248 25195 5360 1 9 . 1 1 13 13 GLU H H 13 8.430 8.430 8.895 -0.465 25195 5361 1 9 . 1 1 14 14 ALA N N 14 124.100 124.100 122.560 1.540 25195 5362 1 9 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.660 -0.390 25195 5363 1 9 . 1 1 14 14 ALA C C 14 177.900 177.900 176.241 1.659 25195 5364 1 9 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.738 1.062 25195 5365 1 9 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.282 -1.082 25195 5366 1 9 . 1 1 14 14 ALA H H 14 8.270 8.270 8.153 0.117 25195 5367 1 9 . 1 1 15 15 GLN N N 15 118.900 118.900 118.437 0.463 25195 5368 1 9 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.700 -0.460 25195 5369 1 9 . 1 1 15 15 GLN C C 15 176.500 176.500 175.086 1.414 25195 5370 1 9 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.150 0.650 25195 5371 1 9 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.700 -1.300 25195 5372 1 9 . 1 1 15 15 GLN H H 15 8.360 8.360 8.491 -0.131 25195 5373 1 9 . 1 1 16 16 THR N N 16 114.900 114.900 112.629 2.271 25195 5374 1 9 . 1 1 16 16 THR HA H 16 4.360 4.360 4.511 -0.151 25195 5375 1 9 . 1 1 16 16 THR C C 16 174.600 174.600 173.631 0.969 25195 5376 1 9 . 1 1 16 16 THR CA C 16 61.900 61.900 61.207 0.693 25195 5377 1 9 . 1 1 16 16 THR CB C 16 69.800 69.800 69.366 0.434 25195 5378 1 9 . 1 1 16 16 THR H H 16 8.190 8.190 8.076 0.114 25195 5379 1 9 . 1 1 17 17 GLN N N 17 122.100 122.100 119.259 2.841 25195 5380 1 9 . 1 1 17 17 GLN C C 17 176.100 176.100 175.831 0.269 25195 5381 1 9 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.390 0.310 25195 5382 1 9 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.100 0.600 25195 5383 1 9 . 1 1 17 17 GLN H H 17 8.440 8.440 8.364 0.076 25195 5384 1 9 . 1 1 18 18 GLY N N 18 110.100 110.100 107.567 2.533 25195 5385 1 9 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.116 0.584 25195 5386 1 9 . 1 1 18 18 GLY H H 18 8.370 8.370 8.346 0.024 25195 5387 1 9 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.444 -0.004 25195 5388 1 9 . 1 1 19 19 PRO C C 19 177.700 177.700 177.435 0.265 25195 5389 1 9 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.426 1.274 25195 5390 1 9 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.754 -0.354 25195 5391 1 9 . 1 1 20 20 GLY N N 20 109.200 109.200 107.311 1.889 25195 5392 1 9 . 1 1 20 20 GLY C C 20 174.400 174.400 174.424 -0.024 25195 5393 1 9 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.386 0.014 25195 5394 1 9 . 1 1 20 20 GLY H H 20 8.620 8.620 8.461 0.159 25195 5395 1 9 . 1 1 21 21 SER N N 21 115.000 115.000 118.160 -3.160 25195 5396 1 9 . 1 1 21 21 SER HA H 21 4.420 4.420 4.515 -0.095 25195 5397 1 9 . 1 1 21 21 SER C C 21 174.600 174.600 174.515 0.085 25195 5398 1 9 . 1 1 21 21 SER CA C 21 58.600 58.600 57.310 1.290 25195 5399 1 9 . 1 1 21 21 SER CB C 21 64.100 64.100 64.458 -0.358 25195 5400 1 9 . 1 1 21 21 SER H H 21 8.180 8.180 8.000 0.180 25195 5401 1 9 . 1 1 22 22 MET N N 22 121.500 121.500 118.875 2.625 25195 5402 1 9 . 1 1 22 22 MET HA H 22 4.440 4.440 4.363 0.077 25195 5403 1 9 . 1 1 22 22 MET C C 22 175.100 175.100 174.980 0.120 25195 5404 1 9 . 1 1 22 22 MET CA C 22 55.600 55.600 56.908 -1.308 25195 5405 1 9 . 1 1 22 22 MET CB C 22 33.600 33.600 32.228 1.372 25195 5406 1 9 . 1 1 22 22 MET H H 22 8.340 8.340 7.747 0.593 25195 5407 1 9 . 1 1 23 23 ASP N N 23 123.000 123.000 124.036 -1.036 25195 5408 1 9 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.796 -0.186 25195 5409 1 9 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.708 1.092 25195 5410 1 9 . 1 1 23 23 ASP CB C 23 41.700 41.700 42.585 -0.885 25195 5411 1 9 . 1 1 23 23 ASP H H 23 8.170 8.170 8.573 -0.403 25195 5412 1 9 . 1 1 24 24 VAL N N 24 123.200 123.200 120.892 2.308 25195 5413 1 9 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.987 0.053 25195 5414 1 9 . 1 1 24 24 VAL C C 24 174.900 174.900 175.113 -0.213 25195 5415 1 9 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.380 0.520 25195 5416 1 9 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.892 0.208 25195 5417 1 9 . 1 1 24 24 VAL H H 24 8.210 8.210 7.808 0.402 25195 5418 1 9 . 1 1 25 25 THR N N 25 124.200 124.200 123.069 1.131 25195 5419 1 9 . 1 1 25 25 THR HA H 25 5.310 5.310 4.690 0.620 25195 5420 1 9 . 1 1 25 25 THR C C 25 172.300 172.300 173.251 -0.951 25195 5421 1 9 . 1 1 25 25 THR CA C 25 61.800 61.800 60.709 1.091 25195 5422 1 9 . 1 1 25 25 THR CB C 25 71.600 71.600 70.186 1.413 25195 5423 1 9 . 1 1 25 25 THR H H 25 9.170 9.170 8.681 0.489 25195 5424 1 9 . 1 1 26 26 ILE N N 26 122.500 122.500 123.068 -0.568 25195 5425 1 9 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.886 0.384 25195 5426 1 9 . 1 1 26 26 ILE C C 26 172.200 172.200 174.617 -2.417 25195 5427 1 9 . 1 1 26 26 ILE CA C 26 57.700 57.700 57.989 -0.289 25195 5428 1 9 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.092 2.208 25195 5429 1 9 . 1 1 26 26 ILE H H 26 8.910 8.910 8.779 0.131 25195 5430 1 9 . 1 1 27 27 TYR N N 27 129.400 129.400 121.561 7.839 25195 5431 1 9 . 1 1 27 27 TYR HA H 27 5.180 5.180 4.703 0.477 25195 5432 1 9 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.137 2.363 25195 5433 1 9 . 1 1 27 27 TYR CB C 27 37.100 37.100 40.283 -3.183 25195 5434 1 9 . 1 1 27 27 TYR H H 27 9.090 9.090 8.890 0.200 25195 5435 1 9 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.221 4.479 25195 5436 1 9 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.371 0.479 25195 5437 1 9 . 1 1 30 30 PRO C C 30 177.000 177.000 176.538 0.462 25195 5438 1 9 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.649 1.551 25195 5439 1 9 . 1 1 30 30 PRO CB C 30 32.700 32.700 32.727 -0.027 25195 5440 1 9 . 1 1 31 31 VAL N N 31 112.100 112.100 118.425 -6.325 25195 5441 1 9 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.250 -0.090 25195 5442 1 9 . 1 1 31 31 VAL C C 31 175.000 175.000 175.745 -0.745 25195 5443 1 9 . 1 1 31 31 VAL CA C 31 62.000 62.000 59.766 2.235 25195 5444 1 9 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.616 -2.116 25195 5445 1 9 . 1 1 31 31 VAL H H 31 7.290 7.290 8.138 -0.848 25195 5446 1 9 . 1 1 32 32 CYS N N 32 126.100 126.100 119.702 6.398 25195 5447 1 9 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.044 0.316 25195 5448 1 9 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.658 -2.358 25195 5449 1 9 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.977 3.223 25195 5450 1 9 . 1 1 32 32 CYS H H 32 7.780 7.780 8.449 -0.669 25195 5451 1 9 . 1 1 33 33 GLY C C 33 177.400 177.400 175.492 1.908 25195 5452 1 9 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.962 0.738 25195 5453 1 9 . 1 1 34 34 THR N N 34 123.700 123.700 116.815 6.885 25195 5454 1 9 . 1 1 34 34 THR HA H 34 4.250 4.250 3.923 0.327 25195 5455 1 9 . 1 1 34 34 THR C C 34 175.600 175.600 176.380 -0.780 25195 5456 1 9 . 1 1 34 34 THR CA C 34 67.600 67.600 66.277 1.323 25195 5457 1 9 . 1 1 34 34 THR CB C 34 68.700 68.700 68.539 0.161 25195 5458 1 9 . 1 1 34 34 THR H H 34 9.110 9.110 8.027 1.083 25195 5459 1 9 . 1 1 35 35 SER N N 35 123.600 123.600 116.755 6.845 25195 5460 1 9 . 1 1 35 35 SER C C 35 177.900 177.900 176.409 1.491 25195 5461 1 9 . 1 1 35 35 SER CA C 35 63.800 63.800 61.998 1.802 25195 5462 1 9 . 1 1 35 35 SER CB C 35 63.800 63.800 62.963 0.837 25195 5463 1 9 . 1 1 35 35 SER H H 35 9.530 9.530 8.110 1.420 25195 5464 1 9 . 1 1 36 36 ARG N N 36 113.400 113.400 119.902 -6.502 25195 5465 1 9 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.061 -0.061 25195 5466 1 9 . 1 1 36 36 ARG C C 36 179.200 179.200 178.544 0.656 25195 5467 1 9 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.196 2.104 25195 5468 1 9 . 1 1 36 36 ARG CB C 36 31.300 31.300 30.071 1.229 25195 5469 1 9 . 1 1 36 36 ARG H H 36 8.740 8.740 7.573 1.167 25195 5470 1 9 . 1 1 37 37 LYS N N 37 121.900 121.900 120.927 0.973 25195 5471 1 9 . 1 1 37 37 LYS HA H 37 4.140 4.140 3.927 0.213 25195 5472 1 9 . 1 1 37 37 LYS C C 37 179.400 179.400 178.686 0.714 25195 5473 1 9 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.996 -0.296 25195 5474 1 9 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.262 0.338 25195 5475 1 9 . 1 1 37 37 LYS H H 37 7.980 7.980 7.815 0.165 25195 5476 1 9 . 1 1 38 38 VAL N N 38 120.900 120.900 119.420 1.480 25195 5477 1 9 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.696 -0.076 25195 5478 1 9 . 1 1 38 38 VAL C C 38 177.300 177.300 178.022 -0.722 25195 5479 1 9 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.973 0.327 25195 5480 1 9 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.421 0.479 25195 5481 1 9 . 1 1 38 38 VAL H H 38 8.670 8.670 8.055 0.615 25195 5482 1 9 . 1 1 39 39 LEU N N 39 120.200 120.200 119.465 0.735 25195 5483 1 9 . 1 1 39 39 LEU C C 39 178.300 178.300 179.321 -1.021 25195 5484 1 9 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.819 0.781 25195 5485 1 9 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.244 0.356 25195 5486 1 9 . 1 1 39 39 LEU H H 39 8.300 8.300 8.365 -0.065 25195 5487 1 9 . 1 1 40 40 GLY N N 40 103.600 103.600 107.407 -3.807 25195 5488 1 9 . 1 1 40 40 GLY C C 40 176.600 176.600 176.300 0.300 25195 5489 1 9 . 1 1 40 40 GLY CA C 40 47.400 47.400 46.983 0.417 25195 5490 1 9 . 1 1 40 40 GLY H H 40 8.050 8.050 8.236 -0.186 25195 5491 1 9 . 1 1 41 41 MET N N 41 122.300 122.300 121.431 0.869 25195 5492 1 9 . 1 1 41 41 MET HA H 41 4.030 4.030 4.298 -0.268 25195 5493 1 9 . 1 1 41 41 MET C C 41 179.200 179.200 178.634 0.566 25195 5494 1 9 . 1 1 41 41 MET CA C 41 59.900 59.900 57.920 1.980 25195 5495 1 9 . 1 1 41 41 MET CB C 41 33.600 33.600 31.935 1.665 25195 5496 1 9 . 1 1 41 41 MET H H 41 8.310 8.310 7.887 0.423 25195 5497 1 9 . 1 1 42 42 ILE N N 42 120.600 120.600 119.234 1.366 25195 5498 1 9 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.587 -0.047 25195 5499 1 9 . 1 1 42 42 ILE C C 42 177.600 177.600 178.099 -0.499 25195 5500 1 9 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.116 1.084 25195 5501 1 9 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.271 1.829 25195 5502 1 9 . 1 1 42 42 ILE H H 42 8.260 8.260 8.213 0.047 25195 5503 1 9 . 1 1 43 43 ARG N N 43 117.200 117.200 119.037 -1.837 25195 5504 1 9 . 1 1 43 43 ARG C C 43 182.100 182.100 178.518 3.582 25195 5505 1 9 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.087 0.013 25195 5506 1 9 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.242 -0.842 25195 5507 1 9 . 1 1 43 43 ARG H H 43 7.810 7.810 8.101 -0.291 25195 5508 1 9 . 1 1 44 44 GLU N N 44 122.200 122.200 117.200 5.000 25195 5509 1 9 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.225 -0.175 25195 5510 1 9 . 1 1 44 44 GLU C C 44 177.600 177.600 177.214 0.386 25195 5511 1 9 . 1 1 44 44 GLU CA C 44 59.100 59.100 57.865 1.235 25195 5512 1 9 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.610 -0.111 25195 5513 1 9 . 1 1 44 44 GLU H H 44 8.670 8.670 8.048 0.622 25195 5514 1 9 . 1 1 45 45 ALA N N 45 120.400 120.400 121.762 -1.362 25195 5515 1 9 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.147 0.273 25195 5516 1 9 . 1 1 45 45 ALA C C 45 177.300 177.300 177.736 -0.436 25195 5517 1 9 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.886 -0.386 25195 5518 1 9 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.608 -1.208 25195 5519 1 9 . 1 1 45 45 ALA H H 45 7.430 7.430 7.692 -0.262 25195 5520 1 9 . 1 1 46 46 GLY N N 46 106.000 106.000 104.944 1.056 25195 5521 1 9 . 1 1 46 46 GLY C C 46 173.800 173.800 173.225 0.575 25195 5522 1 9 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.540 0.760 25195 5523 1 9 . 1 1 46 46 GLY H H 46 8.080 8.080 7.669 0.411 25195 5524 1 9 . 1 1 47 47 ILE N N 47 121.500 121.500 118.841 2.659 25195 5525 1 9 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.338 -0.238 25195 5526 1 9 . 1 1 47 47 ILE C C 47 174.100 174.100 173.949 0.151 25195 5527 1 9 . 1 1 47 47 ILE CA C 47 59.700 59.700 60.679 -0.979 25195 5528 1 9 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.191 -1.091 25195 5529 1 9 . 1 1 47 47 ILE H H 47 7.180 7.180 7.634 -0.454 25195 5530 1 9 . 1 1 48 48 GLU N N 48 127.000 127.000 126.073 0.927 25195 5531 1 9 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.635 0.565 25195 5532 1 9 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.042 -0.742 25195 5533 1 9 . 1 1 48 48 GLU CB C 48 29.400 29.400 31.072 -1.672 25195 5534 1 9 . 1 1 48 48 GLU H H 48 8.440 8.440 8.717 -0.277 25195 5535 1 9 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.713 -0.073 25195 5536 1 9 . 1 1 49 49 PRO C C 49 175.200 175.200 176.047 -0.847 25195 5537 1 9 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.580 -0.680 25195 5538 1 9 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.562 0.138 25195 5539 1 9 . 1 1 50 50 HIS N N 50 119.000 119.000 119.805 -0.805 25195 5540 1 9 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.696 0.004 25195 5541 1 9 . 1 1 50 50 HIS C C 50 174.200 174.200 174.473 -0.273 25195 5542 1 9 . 1 1 50 50 HIS CA C 50 55.400 55.400 55.421 -0.021 25195 5543 1 9 . 1 1 50 50 HIS CB C 50 29.100 29.100 32.219 -3.119 25195 5544 1 9 . 1 1 50 50 HIS H H 50 9.160 9.160 8.534 0.626 25195 5545 1 9 . 1 1 51 51 VAL N N 51 128.400 128.400 123.425 4.975 25195 5546 1 9 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.097 0.143 25195 5547 1 9 . 1 1 51 51 VAL C C 51 175.600 175.600 175.061 0.539 25195 5548 1 9 . 1 1 51 51 VAL CA C 51 62.200 62.200 61.722 0.478 25195 5549 1 9 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.151 0.049 25195 5550 1 9 . 1 1 51 51 VAL H H 51 8.760 8.760 8.533 0.227 25195 5551 1 9 . 1 1 52 52 ILE N N 52 129.400 129.400 128.587 0.813 25195 5552 1 9 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.313 -0.093 25195 5553 1 9 . 1 1 52 52 ILE C C 52 176.500 176.500 175.302 1.198 25195 5554 1 9 . 1 1 52 52 ILE CA C 52 60.300 60.300 59.442 0.858 25195 5555 1 9 . 1 1 52 52 ILE CB C 52 38.200 38.200 38.803 -0.603 25195 5556 1 9 . 1 1 52 52 ILE H H 52 9.000 9.000 8.546 0.454 25195 5557 1 9 . 1 1 53 53 GLU N N 53 129.900 129.900 126.887 3.013 25195 5558 1 9 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.513 0.617 25195 5559 1 9 . 1 1 53 53 GLU C C 53 174.200 174.200 175.141 -0.941 25195 5560 1 9 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.108 0.792 25195 5561 1 9 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.566 -1.266 25195 5562 1 9 . 1 1 53 53 GLU H H 53 9.180 9.180 8.620 0.560 25195 5563 1 9 . 1 1 54 54 TYR N N 54 124.200 124.200 127.015 -2.815 25195 5564 1 9 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.791 0.409 25195 5565 1 9 . 1 1 54 54 TYR C C 54 174.200 174.200 173.518 0.682 25195 5566 1 9 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.831 -3.731 25195 5567 1 9 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.491 -2.491 25195 5568 1 9 . 1 1 54 54 TYR H H 54 8.460 8.460 8.323 0.137 25195 5569 1 9 . 1 1 55 55 MET N N 55 121.900 121.900 123.390 -1.490 25195 5570 1 9 . 1 1 55 55 MET H H 55 7.660 7.660 8.371 -0.711 25195 5571 1 9 . 1 1 56 56 LYS C C 56 176.700 176.700 174.479 2.221 25195 5572 1 9 . 1 1 56 56 LYS CA C 56 56.900 56.900 57.024 -0.124 25195 5573 1 9 . 1 1 56 56 LYS CB C 56 29.200 29.200 30.866 -1.666 25195 5574 1 9 . 1 1 57 57 THR N N 57 114.700 114.700 113.584 1.116 25195 5575 1 9 . 1 1 57 57 THR HA H 57 4.720 4.720 4.541 0.179 25195 5576 1 9 . 1 1 57 57 THR CB C 57 70.500 70.500 69.803 0.697 25195 5577 1 9 . 1 1 57 57 THR H H 57 7.940 7.940 7.924 0.016 25195 5578 1 9 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.520 0.180 25195 5579 1 9 . 1 1 58 58 PRO C C 58 177.400 177.400 175.841 1.559 25195 5580 1 9 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.032 -0.232 25195 5581 1 9 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.434 0.166 25195 5582 1 9 . 1 1 59 59 LEU N N 59 125.300 125.300 122.205 3.095 25195 5583 1 9 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.754 -0.174 25195 5584 1 9 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.689 0.611 25195 5585 1 9 . 1 1 59 59 LEU H H 59 8.760 8.760 8.090 0.670 25195 5586 1 9 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.686 -0.176 25195 5587 1 9 . 1 1 60 60 PRO C C 60 178.400 178.400 177.811 0.589 25195 5588 1 9 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.160 -0.060 25195 5589 1 9 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.639 -0.339 25195 5590 1 9 . 1 1 61 61 ARG N N 61 125.800 125.800 121.414 4.386 25195 5591 1 9 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.882 -0.182 25195 5592 1 9 . 1 1 61 61 ARG C C 61 177.800 177.800 177.655 0.145 25195 5593 1 9 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.835 0.965 25195 5594 1 9 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.403 0.997 25195 5595 1 9 . 1 1 61 61 ARG H H 61 8.980 8.980 8.792 0.188 25195 5596 1 9 . 1 1 62 62 ASP N N 62 113.300 113.300 118.703 -5.403 25195 5597 1 9 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.359 -0.119 25195 5598 1 9 . 1 1 62 62 ASP C C 62 179.100 179.100 178.352 0.748 25195 5599 1 9 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.931 -0.931 25195 5600 1 9 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.192 -0.492 25195 5601 1 9 . 1 1 62 62 ASP H H 62 8.820 8.820 8.659 0.161 25195 5602 1 9 . 1 1 63 63 MET N N 63 118.800 118.800 119.129 -0.329 25195 5603 1 9 . 1 1 63 63 MET HA H 63 4.460 4.460 4.290 0.170 25195 5604 1 9 . 1 1 63 63 MET C C 63 177.700 177.700 178.660 -0.960 25195 5605 1 9 . 1 1 63 63 MET CA C 63 57.200 57.200 57.194 0.006 25195 5606 1 9 . 1 1 63 63 MET CB C 63 32.500 32.500 32.352 0.148 25195 5607 1 9 . 1 1 63 63 MET H H 63 7.340 7.340 7.331 0.009 25195 5608 1 9 . 1 1 64 64 LEU N N 64 121.000 121.000 121.184 -0.184 25195 5609 1 9 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.040 -0.080 25195 5610 1 9 . 1 1 64 64 LEU C C 64 178.000 178.000 178.824 -0.824 25195 5611 1 9 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.282 0.018 25195 5612 1 9 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.934 -0.534 25195 5613 1 9 . 1 1 64 64 LEU H H 64 7.570 7.570 8.038 -0.468 25195 5614 1 9 . 1 1 65 65 VAL N N 65 117.200 117.200 119.546 -2.346 25195 5615 1 9 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.641 -0.211 25195 5616 1 9 . 1 1 65 65 VAL C C 65 178.500 178.500 177.135 1.365 25195 5617 1 9 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.300 1.300 25195 5618 1 9 . 1 1 65 65 VAL CB C 65 32.000 32.000 32.052 -0.052 25195 5619 1 9 . 1 1 65 65 VAL H H 65 8.250 8.250 8.283 -0.033 25195 5620 1 9 . 1 1 66 66 GLU N N 66 120.200 120.200 120.308 -0.108 25195 5621 1 9 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.024 0.316 25195 5622 1 9 . 1 1 66 66 GLU C C 66 178.500 178.500 179.000 -0.500 25195 5623 1 9 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.634 -0.934 25195 5624 1 9 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.626 -0.426 25195 5625 1 9 . 1 1 66 66 GLU H H 66 7.510 7.510 7.898 -0.388 25195 5626 1 9 . 1 1 67 67 LEU N N 67 121.100 121.100 120.315 0.785 25195 5627 1 9 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.111 -0.121 25195 5628 1 9 . 1 1 67 67 LEU C C 67 179.400 179.400 178.514 0.886 25195 5629 1 9 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.101 0.299 25195 5630 1 9 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.169 -0.369 25195 5631 1 9 . 1 1 67 67 LEU H H 67 8.480 8.480 7.914 0.566 25195 5632 1 9 . 1 1 68 68 LEU N N 68 118.500 118.500 117.860 0.640 25195 5633 1 9 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.145 -0.365 25195 5634 1 9 . 1 1 68 68 LEU C C 68 179.100 179.100 178.297 0.803 25195 5635 1 9 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.032 0.668 25195 5636 1 9 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.362 0.038 25195 5637 1 9 . 1 1 68 68 LEU H H 68 8.250 8.250 8.102 0.148 25195 5638 1 9 . 1 1 69 69 ARG N N 69 119.200 119.200 117.902 1.298 25195 5639 1 9 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.354 -0.304 25195 5640 1 9 . 1 1 69 69 ARG C C 69 180.400 180.400 178.305 2.095 25195 5641 1 9 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.264 1.236 25195 5642 1 9 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.832 0.268 25195 5643 1 9 . 1 1 69 69 ARG H H 69 7.950 7.950 8.386 -0.436 25195 5644 1 9 . 1 1 70 70 GLN N N 70 118.500 118.500 117.726 0.774 25195 5645 1 9 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.117 -0.087 25195 5646 1 9 . 1 1 70 70 GLN C C 70 179.900 179.900 177.982 1.918 25195 5647 1 9 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.773 1.127 25195 5648 1 9 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.659 0.741 25195 5649 1 9 . 1 1 70 70 GLN H H 70 8.450 8.450 7.718 0.732 25195 5650 1 9 . 1 1 71 71 MET N N 71 117.500 117.500 118.318 -0.818 25195 5651 1 9 . 1 1 71 71 MET HA H 71 4.140 4.140 4.133 0.007 25195 5652 1 9 . 1 1 71 71 MET C C 71 175.200 175.200 176.547 -1.347 25195 5653 1 9 . 1 1 71 71 MET CA C 71 58.200 58.200 58.214 -0.014 25195 5654 1 9 . 1 1 71 71 MET CB C 71 36.200 36.200 32.928 3.272 25195 5655 1 9 . 1 1 71 71 MET H H 71 8.380 8.380 7.962 0.418 25195 5656 1 9 . 1 1 72 72 ALA N N 72 120.400 120.400 118.242 2.158 25195 5657 1 9 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.532 -0.502 25195 5658 1 9 . 1 1 72 72 ALA C C 72 176.600 176.600 176.971 -0.371 25195 5659 1 9 . 1 1 72 72 ALA CA C 72 52.800 52.800 51.999 0.801 25195 5660 1 9 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.622 -5.122 25195 5661 1 9 . 1 1 72 72 ALA H H 72 8.100 8.100 7.506 0.594 25195 5662 1 9 . 1 1 73 73 ILE N N 73 108.600 108.600 115.423 -6.823 25195 5663 1 9 . 1 1 73 73 ILE C C 73 174.700 174.700 174.541 0.159 25195 5664 1 9 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.791 0.109 25195 5665 1 9 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.148 2.452 25195 5666 1 9 . 1 1 73 73 ILE H H 73 7.240 7.240 8.045 -0.805 25195 5667 1 9 . 1 1 74 74 SER N N 74 116.500 116.500 117.614 -1.114 25195 5668 1 9 . 1 1 74 74 SER HA H 74 4.780 4.780 4.510 0.270 25195 5669 1 9 . 1 1 74 74 SER CA C 74 55.900 55.900 59.075 -3.175 25195 5670 1 9 . 1 1 74 74 SER CB C 74 63.500 63.500 63.322 0.178 25195 5671 1 9 . 1 1 74 74 SER H H 74 8.290 8.290 8.578 -0.288 25195 5672 1 9 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.355 0.405 25195 5673 1 9 . 1 1 75 75 PRO C C 75 178.200 178.200 177.659 0.541 25195 5674 1 9 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.735 0.865 25195 5675 1 9 . 1 1 75 75 PRO CB C 75 32.100 32.100 32.024 0.076 25195 5676 1 9 . 1 1 76 76 ARG N N 76 114.400 114.400 119.084 -4.684 25195 5677 1 9 . 1 1 76 76 ARG C C 76 178.100 178.100 176.202 1.898 25195 5678 1 9 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.953 1.047 25195 5679 1 9 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.419 -1.019 25195 5680 1 9 . 1 1 76 76 ARG H H 76 8.340 8.340 8.179 0.161 25195 5681 1 9 . 1 1 77 77 ALA N N 77 119.400 119.400 118.370 1.030 25195 5682 1 9 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.479 -0.249 25195 5683 1 9 . 1 1 77 77 ALA C C 77 178.100 178.100 176.600 1.500 25195 5684 1 9 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.275 2.525 25195 5685 1 9 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.021 -0.421 25195 5686 1 9 . 1 1 77 77 ALA H H 77 7.720 7.720 7.589 0.131 25195 5687 1 9 . 1 1 78 78 LEU N N 78 119.400 119.400 119.424 -0.024 25195 5688 1 9 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.561 -0.181 25195 5689 1 9 . 1 1 78 78 LEU C C 78 174.800 174.800 176.249 -1.449 25195 5690 1 9 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.101 -2.201 25195 5691 1 9 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.931 0.169 25195 5692 1 9 . 1 1 78 78 LEU H H 78 7.610 7.610 7.266 0.344 25195 5693 1 9 . 1 1 79 79 LEU N N 79 118.700 118.700 121.506 -2.806 25195 5694 1 9 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.935 0.715 25195 5695 1 9 . 1 1 79 79 LEU C C 79 178.900 178.900 176.801 2.099 25195 5696 1 9 . 1 1 79 79 LEU CA C 79 55.100 55.100 55.017 0.083 25195 5697 1 9 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.399 5.201 25195 5698 1 9 . 1 1 79 79 LEU H H 79 7.220 7.220 7.434 -0.214 25195 5699 1 9 . 1 1 80 80 ARG N N 80 124.000 124.000 124.032 -0.032 25195 5700 1 9 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.066 0.154 25195 5701 1 9 . 1 1 80 80 ARG C C 80 174.800 174.800 176.853 -2.053 25195 5702 1 9 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.570 -0.370 25195 5703 1 9 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.792 -0.092 25195 5704 1 9 . 1 1 80 80 ARG H H 80 8.780 8.780 8.014 0.766 25195 5705 1 9 . 1 1 81 81 ALA N N 81 124.400 124.400 124.010 0.390 25195 5706 1 9 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.207 -1.717 25195 5707 1 9 . 1 1 81 81 ALA C C 81 177.600 177.600 178.309 -0.709 25195 5708 1 9 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.882 -2.182 25195 5709 1 9 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.995 -0.396 25195 5710 1 9 . 1 1 81 81 ALA H H 81 7.420 7.420 8.565 -1.145 25195 5711 1 9 . 1 1 82 82 LYS N N 82 114.500 114.500 116.566 -2.066 25195 5712 1 9 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.096 0.154 25195 5713 1 9 . 1 1 82 82 LYS C C 82 177.700 177.700 178.470 -0.770 25195 5714 1 9 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.060 -2.260 25195 5715 1 9 . 1 1 82 82 LYS CB C 82 31.400 31.400 31.597 -0.197 25195 5716 1 9 . 1 1 82 82 LYS H H 82 8.190 8.190 8.280 -0.090 25195 5717 1 9 . 1 1 83 83 GLU N N 83 118.700 118.700 119.375 -0.675 25195 5718 1 9 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.418 -0.218 25195 5719 1 9 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.790 1.010 25195 5720 1 9 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.112 2.188 25195 5721 1 9 . 1 1 83 83 GLU H H 83 7.120 7.120 7.758 -0.638 25195 5722 1 9 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.902 0.308 25195 5723 1 9 . 1 1 84 84 ALA C C 84 180.900 180.900 179.023 1.877 25195 5724 1 9 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.777 -0.077 25195 5725 1 9 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.721 -0.921 25195 5726 1 9 . 1 1 85 85 ARG N N 85 115.800 115.800 118.072 -2.272 25195 5727 1 9 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.956 0.104 25195 5728 1 9 . 1 1 85 85 ARG C C 85 178.200 178.200 178.483 -0.283 25195 5729 1 9 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.395 -1.494 25195 5730 1 9 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.148 0.752 25195 5731 1 9 . 1 1 85 85 ARG H H 85 9.280 9.280 8.337 0.943 25195 5732 1 9 . 1 1 86 86 TYR N N 86 118.300 118.300 120.925 -2.625 25195 5733 1 9 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.070 -0.230 25195 5734 1 9 . 1 1 86 86 TYR C C 86 176.500 176.500 176.695 -0.195 25195 5735 1 9 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.659 -0.459 25195 5736 1 9 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.602 0.598 25195 5737 1 9 . 1 1 86 86 TYR H H 86 7.270 7.270 8.689 -1.419 25195 5738 1 9 . 1 1 87 87 ALA N N 87 120.500 120.500 120.048 0.452 25195 5739 1 9 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.659 0.681 25195 5740 1 9 . 1 1 87 87 ALA C C 87 181.900 181.900 180.370 1.530 25195 5741 1 9 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.858 0.542 25195 5742 1 9 . 1 1 87 87 ALA CB C 87 18.400 18.400 18.074 0.326 25195 5743 1 9 . 1 1 87 87 ALA H H 87 7.110 7.110 7.746 -0.636 25195 5744 1 9 . 1 1 88 88 GLU N N 88 119.500 119.500 120.297 -0.797 25195 5745 1 9 . 1 1 88 88 GLU HA H 88 3.980 3.980 3.967 0.013 25195 5746 1 9 . 1 1 88 88 GLU C C 88 178.800 178.800 178.507 0.293 25195 5747 1 9 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.913 0.387 25195 5748 1 9 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.668 0.832 25195 5749 1 9 . 1 1 88 88 GLU H H 88 8.240 8.240 8.105 0.135 25195 5750 1 9 . 1 1 89 89 LEU N N 89 115.100 115.100 117.239 -2.139 25195 5751 1 9 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.197 0.083 25195 5752 1 9 . 1 1 89 89 LEU C C 89 176.900 176.900 177.439 -0.539 25195 5753 1 9 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.611 -1.111 25195 5754 1 9 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.304 0.496 25195 5755 1 9 . 1 1 89 89 LEU H H 89 7.430 7.430 7.889 -0.459 25195 5756 1 9 . 1 1 90 90 GLY N N 90 108.200 108.200 105.955 2.245 25195 5757 1 9 . 1 1 90 90 GLY C C 90 176.900 176.900 175.813 1.087 25195 5758 1 9 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.568 1.432 25195 5759 1 9 . 1 1 90 90 GLY H H 90 7.690 7.690 7.740 -0.050 25195 5760 1 9 . 1 1 91 91 LEU N N 91 113.000 113.000 120.061 -7.061 25195 5761 1 9 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.014 -0.244 25195 5762 1 9 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.352 -1.652 25195 5763 1 9 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.161 -1.861 25195 5764 1 9 . 1 1 91 91 LEU H H 91 7.000 7.000 7.359 -0.359 25195 5765 1 9 . 1 1 92 92 ASP N N 92 117.000 117.000 113.672 3.328 25195 5766 1 9 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.449 -0.009 25195 5767 1 9 . 1 1 92 92 ASP C C 92 175.400 175.400 176.391 -0.991 25195 5768 1 9 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.937 -0.137 25195 5769 1 9 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.251 0.450 25195 5770 1 9 . 1 1 92 92 ASP H H 92 8.510 8.510 7.769 0.741 25195 5771 1 9 . 1 1 93 93 ASP N N 93 120.600 120.600 121.457 -0.857 25195 5772 1 9 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.615 -0.035 25195 5773 1 9 . 1 1 93 93 ASP C C 93 176.000 176.000 176.868 -0.868 25195 5774 1 9 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.377 -1.276 25195 5775 1 9 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.954 0.546 25195 5776 1 9 . 1 1 93 93 ASP H H 93 7.000 7.000 7.738 -0.738 25195 5777 1 9 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.316 -0.016 25195 5778 1 9 . 1 1 94 94 PRO C C 94 178.100 178.100 176.716 1.384 25195 5779 1 9 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.741 0.059 25195 5780 1 9 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.963 0.237 25195 5781 1 9 . 1 1 95 95 ALA N N 95 121.900 121.900 120.531 1.369 25195 5782 1 9 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.314 -0.044 25195 5783 1 9 . 1 1 95 95 ALA C C 95 178.400 178.400 177.265 1.135 25195 5784 1 9 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.074 0.426 25195 5785 1 9 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.701 0.499 25195 5786 1 9 . 1 1 95 95 ALA H H 95 8.610 8.610 8.104 0.506 25195 5787 1 9 . 1 1 96 96 LEU N N 96 117.600 117.600 118.742 -1.142 25195 5788 1 9 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.490 -0.320 25195 5789 1 9 . 1 1 96 96 LEU C C 96 177.600 177.600 176.364 1.236 25195 5790 1 9 . 1 1 96 96 LEU CA C 96 55.500 55.500 54.498 1.002 25195 5791 1 9 . 1 1 96 96 LEU CB C 96 42.400 42.400 43.042 -0.642 25195 5792 1 9 . 1 1 96 96 LEU H H 96 7.010 7.010 7.456 -0.446 25195 5793 1 9 . 1 1 97 97 SER N N 97 119.200 119.200 112.698 6.502 25195 5794 1 9 . 1 1 97 97 SER HA H 97 4.360 4.360 4.795 -0.435 25195 5795 1 9 . 1 1 97 97 SER C C 97 174.400 174.400 174.171 0.229 25195 5796 1 9 . 1 1 97 97 SER CA C 97 57.300 57.300 57.239 0.062 25195 5797 1 9 . 1 1 97 97 SER CB C 97 64.900 64.900 65.776 -0.876 25195 5798 1 9 . 1 1 97 97 SER H H 97 8.620 8.620 8.047 0.573 25195 5799 1 9 . 1 1 98 98 ASP N N 98 122.000 122.000 122.785 -0.785 25195 5800 1 9 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.367 -0.097 25195 5801 1 9 . 1 1 98 98 ASP C C 98 178.100 178.100 177.981 0.119 25195 5802 1 9 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.332 0.468 25195 5803 1 9 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.550 -0.450 25195 5804 1 9 . 1 1 98 98 ASP H H 98 9.050 9.050 8.815 0.235 25195 5805 1 9 . 1 1 99 99 GLU N N 99 116.100 116.100 119.359 -3.259 25195 5806 1 9 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.015 -0.225 25195 5807 1 9 . 1 1 99 99 GLU C C 99 176.800 176.800 178.696 -1.896 25195 5808 1 9 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.446 0.454 25195 5809 1 9 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.321 -0.121 25195 5810 1 9 . 1 1 99 99 GLU H H 99 8.250 8.250 8.808 -0.558 25195 5811 1 9 . 1 1 100 100 VAL N N 100 118.000 118.000 117.124 0.876 25195 5812 1 9 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.837 -0.027 25195 5813 1 9 . 1 1 100 100 VAL C C 100 179.200 179.200 177.571 1.629 25195 5814 1 9 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.350 0.250 25195 5815 1 9 . 1 1 100 100 VAL CB C 100 31.400 31.400 30.935 0.465 25195 5816 1 9 . 1 1 100 100 VAL H H 100 7.290 7.290 7.796 -0.506 25195 5817 1 9 . 1 1 101 101 LEU N N 101 120.100 120.100 120.944 -0.844 25195 5818 1 9 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.013 -0.063 25195 5819 1 9 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.123 -0.023 25195 5820 1 9 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.593 0.907 25195 5821 1 9 . 1 1 101 101 LEU H H 101 7.610 7.610 7.885 -0.275 25195 5822 1 9 . 1 1 102 102 ILE N N 102 118.900 118.900 120.146 -1.246 25195 5823 1 9 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.542 -0.122 25195 5824 1 9 . 1 1 102 102 ILE C C 102 177.700 177.700 177.667 0.033 25195 5825 1 9 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.475 -0.076 25195 5826 1 9 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.610 0.890 25195 5827 1 9 . 1 1 102 102 ILE H H 102 8.260 8.260 8.597 -0.337 25195 5828 1 9 . 1 1 103 103 ASP N N 103 118.000 118.000 119.789 -1.789 25195 5829 1 9 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.239 0.081 25195 5830 1 9 . 1 1 103 103 ASP C C 103 179.400 179.400 178.142 1.258 25195 5831 1 9 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.224 0.576 25195 5832 1 9 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.604 -0.504 25195 5833 1 9 . 1 1 103 103 ASP H H 103 8.080 8.080 8.010 0.070 25195 5834 1 9 . 1 1 104 104 ALA N N 104 121.500 121.500 121.744 -0.244 25195 5835 1 9 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.128 -0.058 25195 5836 1 9 . 1 1 104 104 ALA C C 104 179.900 179.900 179.569 0.331 25195 5837 1 9 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.880 0.520 25195 5838 1 9 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.424 -0.724 25195 5839 1 9 . 1 1 104 104 ALA H H 104 8.210 8.210 7.862 0.348 25195 5840 1 9 . 1 1 105 105 MET N N 105 115.800 115.800 119.299 -3.499 25195 5841 1 9 . 1 1 105 105 MET HA H 105 3.940 3.940 4.109 -0.169 25195 5842 1 9 . 1 1 105 105 MET C C 105 176.700 176.700 178.539 -1.839 25195 5843 1 9 . 1 1 105 105 MET CA C 105 59.500 59.500 59.041 0.459 25195 5844 1 9 . 1 1 105 105 MET CB C 105 35.400 35.400 33.030 2.370 25195 5845 1 9 . 1 1 105 105 MET H H 105 7.520 7.520 7.790 -0.270 25195 5846 1 9 . 1 1 106 106 ILE N N 106 118.100 118.100 116.950 1.150 25195 5847 1 9 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.832 0.188 25195 5848 1 9 . 1 1 106 106 ILE C C 106 178.200 178.200 177.513 0.687 25195 5849 1 9 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.442 -1.442 25195 5850 1 9 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.920 -0.220 25195 5851 1 9 . 1 1 106 106 ILE H H 106 7.730 7.730 8.475 -0.745 25195 5852 1 9 . 1 1 107 107 SER N N 107 112.400 112.400 113.249 -0.849 25195 5853 1 9 . 1 1 107 107 SER HA H 107 4.340 4.340 4.418 -0.078 25195 5854 1 9 . 1 1 107 107 SER C C 107 174.800 174.800 174.746 0.054 25195 5855 1 9 . 1 1 107 107 SER CA C 107 60.400 60.400 59.450 0.950 25195 5856 1 9 . 1 1 107 107 SER CB C 107 64.000 64.000 63.961 0.039 25195 5857 1 9 . 1 1 107 107 SER H H 107 8.160 8.160 7.415 0.745 25195 5858 1 9 . 1 1 108 108 ASN N N 108 116.400 116.400 119.615 -3.215 25195 5859 1 9 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.959 0.331 25195 5860 1 9 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.557 -1.457 25195 5861 1 9 . 1 1 108 108 ASN CB C 108 40.200 40.200 39.100 1.100 25195 5862 1 9 . 1 1 108 108 ASN H H 108 7.700 7.700 7.666 0.034 25195 5863 1 9 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.315 0.455 25195 5864 1 9 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.101 0.699 25195 5865 1 9 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.606 0.594 25195 5866 1 9 . 1 1 110 110 VAL N N 110 119.100 119.100 114.199 4.901 25195 5867 1 9 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.875 0.175 25195 5868 1 9 . 1 1 110 110 VAL C C 110 175.200 175.200 176.347 -1.147 25195 5869 1 9 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.935 0.665 25195 5870 1 9 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.072 1.129 25195 5871 1 9 . 1 1 110 110 VAL H H 110 8.280 8.280 7.874 0.406 25195 5872 1 9 . 1 1 111 111 LEU N N 111 115.200 115.200 113.535 1.665 25195 5873 1 9 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.464 -0.064 25195 5874 1 9 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.000 2.200 25195 5875 1 9 . 1 1 111 111 LEU H H 111 8.420 8.420 7.258 1.162 25195 5876 1 9 . 1 1 112 112 MET N N 112 118.900 118.900 117.085 1.815 25195 5877 1 9 . 1 1 112 112 MET HA H 112 4.060 4.060 4.236 -0.176 25195 5878 1 9 . 1 1 112 112 MET CA C 112 56.500 56.500 56.521 -0.021 25195 5879 1 9 . 1 1 112 112 MET CB C 112 35.600 35.600 31.217 4.383 25195 5880 1 9 . 1 1 112 112 MET H H 112 7.940 7.940 7.658 0.282 25195 5881 1 9 . 1 1 113 113 ASN N N 113 125.800 125.800 122.190 3.610 25195 5882 1 9 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.810 -0.170 25195 5883 1 9 . 1 1 113 113 ASN C C 113 170.700 170.700 176.077 -5.377 25195 5884 1 9 . 1 1 113 113 ASN CA C 113 52.200 52.200 52.366 -0.166 25195 5885 1 9 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.802 -1.902 25195 5886 1 9 . 1 1 113 113 ASN H H 113 9.140 9.140 8.394 0.746 25195 5887 1 9 . 1 1 114 114 ARG N N 114 113.200 113.200 119.737 -6.537 25195 5888 1 9 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.427 -4.627 25195 5889 1 9 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.355 2.445 25195 5890 1 9 . 1 1 114 114 ARG H H 114 7.970 7.970 8.086 -0.116 25195 5891 1 9 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.951 -0.131 25195 5892 1 9 . 1 1 115 115 PRO C C 115 175.400 175.400 175.943 -0.543 25195 5893 1 9 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.618 -0.018 25195 5894 1 9 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.212 2.188 25195 5895 1 9 . 1 1 116 116 VAL N N 116 124.500 124.500 127.334 -2.834 25195 5896 1 9 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.453 0.627 25195 5897 1 9 . 1 1 116 116 VAL C C 116 174.500 174.500 174.339 0.161 25195 5898 1 9 . 1 1 116 116 VAL CA C 116 62.500 62.500 60.916 1.584 25195 5899 1 9 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.036 -2.036 25195 5900 1 9 . 1 1 116 116 VAL H H 116 7.840 7.840 8.911 -1.071 25195 5901 1 9 . 1 1 117 117 VAL N N 117 128.000 128.000 127.049 0.951 25195 5902 1 9 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.678 0.102 25195 5903 1 9 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.704 1.296 25195 5904 1 9 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.736 0.064 25195 5905 1 9 . 1 1 117 117 VAL H H 117 8.670 8.670 9.175 -0.505 25195 5906 1 9 . 1 1 118 118 VAL N N 118 125.700 125.700 129.093 -3.393 25195 5907 1 9 . 1 1 118 118 VAL C C 118 175.700 175.700 174.658 1.042 25195 5908 1 9 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.244 -0.044 25195 5909 1 9 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.340 2.660 25195 5910 1 9 . 1 1 118 118 VAL H H 118 9.110 9.110 9.140 -0.030 25195 5911 1 9 . 1 1 119 119 THR N N 119 118.500 118.500 120.099 -1.599 25195 5912 1 9 . 1 1 119 119 THR HA H 119 5.490 5.490 4.924 0.566 25195 5913 1 9 . 1 1 119 119 THR CA C 119 58.800 58.800 58.793 0.007 25195 5914 1 9 . 1 1 119 119 THR CB C 119 69.800 69.800 70.568 -0.768 25195 5915 1 9 . 1 1 119 119 THR H H 119 9.370 9.370 8.687 0.683 25195 5916 1 9 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.443 0.037 25195 5917 1 9 . 1 1 120 120 PRO C C 120 177.800 177.800 176.899 0.901 25195 5918 1 9 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.576 0.523 25195 5919 1 9 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.727 0.573 25195 5920 1 9 . 1 1 121 121 LYS N N 121 113.600 113.600 116.736 -3.136 25195 5921 1 9 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.472 -0.212 25195 5922 1 9 . 1 1 121 121 LYS C C 121 176.400 176.400 176.325 0.075 25195 5923 1 9 . 1 1 121 121 LYS CA C 121 57.200 57.200 56.162 1.038 25195 5924 1 9 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.701 0.099 25195 5925 1 9 . 1 1 121 121 LYS H H 121 8.360 8.360 8.128 0.232 25195 5926 1 9 . 1 1 122 122 GLY N N 122 108.400 108.400 107.377 1.023 25195 5927 1 9 . 1 1 122 122 GLY C C 122 169.500 169.500 172.234 -2.734 25195 5928 1 9 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.159 -0.059 25195 5929 1 9 . 1 1 122 122 GLY H H 122 7.900 7.900 7.586 0.314 25195 5930 1 9 . 1 1 123 123 VAL N N 123 117.100 117.100 119.643 -2.543 25195 5931 1 9 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.975 0.485 25195 5932 1 9 . 1 1 123 123 VAL C C 123 176.100 176.100 175.646 0.454 25195 5933 1 9 . 1 1 123 123 VAL CA C 123 60.000 60.000 61.055 -1.055 25195 5934 1 9 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.629 0.171 25195 5935 1 9 . 1 1 123 123 VAL H H 123 8.080 8.080 8.235 -0.155 25195 5936 1 9 . 1 1 124 124 ARG N N 124 122.300 122.300 123.473 -1.173 25195 5937 1 9 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.573 0.087 25195 5938 1 9 . 1 1 124 124 ARG C C 124 174.800 174.800 173.800 1.000 25195 5939 1 9 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.576 -0.176 25195 5940 1 9 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.075 1.825 25195 5941 1 9 . 1 1 124 124 ARG H H 124 8.510 8.510 9.011 -0.501 25195 5942 1 9 . 1 1 125 125 LEU N N 125 125.500 125.500 121.725 3.775 25195 5943 1 9 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.260 0.340 25195 5944 1 9 . 1 1 125 125 LEU C C 125 176.500 176.500 176.987 -0.487 25195 5945 1 9 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.002 -1.302 25195 5946 1 9 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.610 -1.710 25195 5947 1 9 . 1 1 125 125 LEU H H 125 8.860 8.860 8.698 0.162 25195 5948 1 9 . 1 1 126 126 CYS N N 126 129.700 129.700 123.651 6.049 25195 5949 1 9 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.227 0.263 25195 5950 1 9 . 1 1 126 126 CYS C C 126 172.000 172.000 174.492 -2.492 25195 5951 1 9 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.829 0.071 25195 5952 1 9 . 1 1 126 126 CYS CB C 126 27.300 27.300 28.230 -0.930 25195 5953 1 9 . 1 1 126 126 CYS H H 126 8.540 8.540 8.451 0.089 25195 5954 1 9 . 1 1 127 127 ARG N N 127 117.500 117.500 118.434 -0.934 25195 5955 1 9 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.747 -0.557 25195 5956 1 9 . 1 1 127 127 ARG CA C 127 53.200 53.200 52.948 0.252 25195 5957 1 9 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.719 1.681 25195 5958 1 9 . 1 1 127 127 ARG H H 127 6.930 6.930 7.227 -0.297 25195 5959 1 9 . 1 1 128 128 PRO C C 128 177.100 177.100 177.111 -0.011 25195 5960 1 9 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.533 0.667 25195 5961 1 9 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.603 2.697 25195 5962 1 9 . 1 1 129 129 ALA N N 129 124.000 124.000 120.577 3.423 25195 5963 1 9 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.042 -0.192 25195 5964 1 9 . 1 1 129 129 ALA C C 129 177.700 177.700 179.985 -2.285 25195 5965 1 9 . 1 1 129 129 ALA CA C 129 55.200 55.200 55.118 0.082 25195 5966 1 9 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.393 1.507 25195 5967 1 9 . 1 1 129 129 ALA H H 129 9.320 9.320 8.588 0.732 25195 5968 1 9 . 1 1 130 130 GLU N N 130 111.600 111.600 117.485 -5.885 25195 5969 1 9 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.110 -0.270 25195 5970 1 9 . 1 1 130 130 GLU C C 130 178.200 178.200 179.099 -0.899 25195 5971 1 9 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.594 0.906 25195 5972 1 9 . 1 1 130 130 GLU CB C 130 28.100 28.100 28.668 -0.568 25195 5973 1 9 . 1 1 130 130 GLU H H 130 9.490 9.490 8.854 0.636 25195 5974 1 9 . 1 1 131 131 THR N N 131 116.100 116.100 114.422 1.678 25195 5975 1 9 . 1 1 131 131 THR HA H 131 4.040 4.040 4.026 0.014 25195 5976 1 9 . 1 1 131 131 THR C C 131 175.800 175.800 176.576 -0.776 25195 5977 1 9 . 1 1 131 131 THR CA C 131 65.600 65.600 65.608 -0.008 25195 5978 1 9 . 1 1 131 131 THR CB C 131 69.800 69.800 68.154 1.646 25195 5979 1 9 . 1 1 131 131 THR H H 131 7.940 7.940 7.671 0.269 25195 5980 1 9 . 1 1 132 132 VAL N N 132 119.200 119.200 121.947 -2.747 25195 5981 1 9 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.625 0.255 25195 5982 1 9 . 1 1 132 132 VAL C C 132 176.500 176.500 177.555 -1.055 25195 5983 1 9 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.703 -1.603 25195 5984 1 9 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.443 0.957 25195 5985 1 9 . 1 1 132 132 VAL H H 132 8.130 8.130 7.666 0.464 25195 5986 1 9 . 1 1 133 133 GLN N N 133 118.500 118.500 118.836 -0.336 25195 5987 1 9 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.037 -0.187 25195 5988 1 9 . 1 1 133 133 GLN C C 133 178.500 178.500 178.029 0.471 25195 5989 1 9 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.767 0.033 25195 5990 1 9 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.756 -0.756 25195 5991 1 9 . 1 1 133 133 GLN H H 133 7.690 7.690 7.909 -0.219 25195 5992 1 9 . 1 1 134 134 GLU N N 134 115.200 115.200 118.894 -3.694 25195 5993 1 9 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.202 -0.062 25195 5994 1 9 . 1 1 134 134 GLU C C 134 177.000 177.000 178.288 -1.288 25195 5995 1 9 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.942 -0.142 25195 5996 1 9 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.985 -0.085 25195 5997 1 9 . 1 1 134 134 GLU H H 134 7.620 7.620 7.708 -0.088 25195 5998 1 9 . 1 1 135 135 LEU N N 135 115.600 115.600 119.946 -4.346 25195 5999 1 9 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.173 0.047 25195 6000 1 9 . 1 1 135 135 LEU C C 135 176.100 176.100 176.446 -0.346 25195 6001 1 9 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.449 -2.649 25195 6002 1 9 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.745 0.555 25195 6003 1 9 . 1 1 135 135 LEU H H 135 7.740 7.740 7.856 -0.116 25195 6004 1 10 . 1 1 9 9 MET C C 9 176.700 176.700 174.204 2.496 25195 6005 1 10 . 1 1 9 9 MET CA C 9 55.600 55.600 54.341 1.259 25195 6006 1 10 . 1 1 9 9 MET CB C 9 32.700 32.700 36.683 -3.983 25195 6007 1 10 . 1 1 10 10 GLY N N 10 109.800 109.800 108.146 1.654 25195 6008 1 10 . 1 1 10 10 GLY C C 10 174.400 174.400 172.741 1.659 25195 6009 1 10 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.558 0.742 25195 6010 1 10 . 1 1 10 10 GLY H H 10 8.480 8.480 8.955 -0.475 25195 6011 1 10 . 1 1 11 11 THR N N 11 113.500 113.500 113.659 -0.159 25195 6012 1 10 . 1 1 11 11 THR HA H 11 4.330 4.330 4.650 -0.320 25195 6013 1 10 . 1 1 11 11 THR CA C 11 62.100 62.100 61.542 0.558 25195 6014 1 10 . 1 1 11 11 THR CB C 11 69.900 69.900 69.967 -0.067 25195 6015 1 10 . 1 1 11 11 THR H H 11 8.080 8.080 8.055 0.025 25195 6016 1 10 . 1 1 12 12 LEU N N 12 123.900 123.900 124.587 -0.687 25195 6017 1 10 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.779 -0.469 25195 6018 1 10 . 1 1 12 12 LEU C C 12 177.700 177.700 175.092 2.608 25195 6019 1 10 . 1 1 12 12 LEU CA C 12 55.800 55.800 55.406 0.394 25195 6020 1 10 . 1 1 12 12 LEU CB C 12 42.200 42.200 42.882 -0.682 25195 6021 1 10 . 1 1 12 12 LEU H H 12 8.390 8.390 8.382 0.008 25195 6022 1 10 . 1 1 13 13 GLU N N 13 121.300 121.300 125.054 -3.754 25195 6023 1 10 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.724 -0.524 25195 6024 1 10 . 1 1 13 13 GLU C C 13 176.500 176.500 174.569 1.931 25195 6025 1 10 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.786 1.314 25195 6026 1 10 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.728 -1.828 25195 6027 1 10 . 1 1 13 13 GLU H H 13 8.430 8.430 8.461 -0.031 25195 6028 1 10 . 1 1 14 14 ALA N N 14 124.100 124.100 123.215 0.885 25195 6029 1 10 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.898 -0.628 25195 6030 1 10 . 1 1 14 14 ALA C C 14 177.900 177.900 175.625 2.275 25195 6031 1 10 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.668 1.132 25195 6032 1 10 . 1 1 14 14 ALA CB C 14 19.200 19.200 21.333 -2.133 25195 6033 1 10 . 1 1 14 14 ALA H H 14 8.270 8.270 8.641 -0.371 25195 6034 1 10 . 1 1 15 15 GLN N N 15 118.900 118.900 118.774 0.126 25195 6035 1 10 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.569 -0.329 25195 6036 1 10 . 1 1 15 15 GLN C C 15 176.500 176.500 173.993 2.507 25195 6037 1 10 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.424 0.376 25195 6038 1 10 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.960 -1.560 25195 6039 1 10 . 1 1 15 15 GLN H H 15 8.360 8.360 8.741 -0.381 25195 6040 1 10 . 1 1 16 16 THR N N 16 114.900 114.900 113.039 1.861 25195 6041 1 10 . 1 1 16 16 THR HA H 16 4.360 4.360 4.748 -0.388 25195 6042 1 10 . 1 1 16 16 THR C C 16 174.600 174.600 173.539 1.061 25195 6043 1 10 . 1 1 16 16 THR CA C 16 61.900 61.900 61.959 -0.059 25195 6044 1 10 . 1 1 16 16 THR CB C 16 69.800 69.800 70.173 -0.373 25195 6045 1 10 . 1 1 16 16 THR H H 16 8.190 8.190 8.321 -0.131 25195 6046 1 10 . 1 1 17 17 GLN N N 17 122.100 122.100 121.267 0.833 25195 6047 1 10 . 1 1 17 17 GLN C C 17 176.100 176.100 175.079 1.021 25195 6048 1 10 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.102 0.598 25195 6049 1 10 . 1 1 17 17 GLN CB C 17 29.700 29.700 30.481 -0.781 25195 6050 1 10 . 1 1 17 17 GLN H H 17 8.440 8.440 8.498 -0.058 25195 6051 1 10 . 1 1 18 18 GLY N N 18 110.100 110.100 108.539 1.561 25195 6052 1 10 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.685 0.015 25195 6053 1 10 . 1 1 18 18 GLY H H 18 8.370 8.370 8.370 0.000 25195 6054 1 10 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.501 -0.061 25195 6055 1 10 . 1 1 19 19 PRO C C 19 177.700 177.700 177.048 0.652 25195 6056 1 10 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.475 1.225 25195 6057 1 10 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.471 -0.071 25195 6058 1 10 . 1 1 20 20 GLY N N 20 109.200 109.200 107.971 1.229 25195 6059 1 10 . 1 1 20 20 GLY C C 20 174.400 174.400 174.259 0.141 25195 6060 1 10 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.898 0.502 25195 6061 1 10 . 1 1 20 20 GLY H H 20 8.620 8.620 8.612 0.008 25195 6062 1 10 . 1 1 21 21 SER N N 21 115.000 115.000 117.496 -2.496 25195 6063 1 10 . 1 1 21 21 SER HA H 21 4.420 4.420 4.426 -0.006 25195 6064 1 10 . 1 1 21 21 SER C C 21 174.600 174.600 175.004 -0.404 25195 6065 1 10 . 1 1 21 21 SER CA C 21 58.600 58.600 57.803 0.797 25195 6066 1 10 . 1 1 21 21 SER CB C 21 64.100 64.100 64.313 -0.213 25195 6067 1 10 . 1 1 21 21 SER H H 21 8.180 8.180 8.355 -0.175 25195 6068 1 10 . 1 1 22 22 MET N N 22 121.500 121.500 123.478 -1.978 25195 6069 1 10 . 1 1 22 22 MET HA H 22 4.440 4.440 4.453 -0.013 25195 6070 1 10 . 1 1 22 22 MET C C 22 175.100 175.100 175.437 -0.337 25195 6071 1 10 . 1 1 22 22 MET CA C 22 55.600 55.600 55.704 -0.104 25195 6072 1 10 . 1 1 22 22 MET CB C 22 33.600 33.600 31.771 1.829 25195 6073 1 10 . 1 1 22 22 MET H H 22 8.340 8.340 7.873 0.467 25195 6074 1 10 . 1 1 23 23 ASP N N 23 123.000 123.000 125.987 -2.987 25195 6075 1 10 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.770 -0.160 25195 6076 1 10 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.205 0.595 25195 6077 1 10 . 1 1 23 23 ASP CB C 23 41.700 41.700 39.531 2.170 25195 6078 1 10 . 1 1 23 23 ASP H H 23 8.170 8.170 8.391 -0.221 25195 6079 1 10 . 1 1 24 24 VAL N N 24 123.200 123.200 121.420 1.780 25195 6080 1 10 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.503 0.537 25195 6081 1 10 . 1 1 24 24 VAL C C 24 174.900 174.900 175.437 -0.537 25195 6082 1 10 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.467 0.433 25195 6083 1 10 . 1 1 24 24 VAL CB C 24 35.100 35.100 33.684 1.416 25195 6084 1 10 . 1 1 24 24 VAL H H 24 8.210 8.210 8.069 0.141 25195 6085 1 10 . 1 1 25 25 THR N N 25 124.200 124.200 122.867 1.333 25195 6086 1 10 . 1 1 25 25 THR HA H 25 5.310 5.310 4.941 0.369 25195 6087 1 10 . 1 1 25 25 THR C C 25 172.300 172.300 172.765 -0.465 25195 6088 1 10 . 1 1 25 25 THR CA C 25 61.800 61.800 61.056 0.744 25195 6089 1 10 . 1 1 25 25 THR CB C 25 71.600 71.600 71.392 0.208 25195 6090 1 10 . 1 1 25 25 THR H H 25 9.170 9.170 8.811 0.359 25195 6091 1 10 . 1 1 26 26 ILE N N 26 122.500 122.500 122.910 -0.410 25195 6092 1 10 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.469 0.801 25195 6093 1 10 . 1 1 26 26 ILE C C 26 172.200 172.200 174.251 -2.051 25195 6094 1 10 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.251 -0.551 25195 6095 1 10 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.127 2.173 25195 6096 1 10 . 1 1 26 26 ILE H H 26 8.910 8.910 8.865 0.045 25195 6097 1 10 . 1 1 27 27 TYR N N 27 129.400 129.400 123.553 5.847 25195 6098 1 10 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.490 -0.310 25195 6099 1 10 . 1 1 27 27 TYR CA C 27 58.500 58.500 55.526 2.974 25195 6100 1 10 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.040 -1.940 25195 6101 1 10 . 1 1 27 27 TYR H H 27 9.090 9.090 8.983 0.107 25195 6102 1 10 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.023 3.677 25195 6103 1 10 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.276 0.574 25195 6104 1 10 . 1 1 30 30 PRO C C 30 177.000 177.000 175.726 1.274 25195 6105 1 10 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.970 1.230 25195 6106 1 10 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.259 2.441 25195 6107 1 10 . 1 1 31 31 VAL N N 31 112.100 112.100 124.620 -12.520 25195 6108 1 10 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.221 -0.061 25195 6109 1 10 . 1 1 31 31 VAL C C 31 175.000 175.000 175.648 -0.648 25195 6110 1 10 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.795 1.205 25195 6111 1 10 . 1 1 31 31 VAL CB C 31 31.500 31.500 32.410 -0.910 25195 6112 1 10 . 1 1 31 31 VAL H H 31 7.290 7.290 8.345 -1.055 25195 6113 1 10 . 1 1 32 32 CYS N N 32 126.100 126.100 124.389 1.711 25195 6114 1 10 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.178 0.182 25195 6115 1 10 . 1 1 32 32 CYS CA C 32 59.300 59.300 59.813 -0.513 25195 6116 1 10 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.607 2.593 25195 6117 1 10 . 1 1 32 32 CYS H H 32 7.780 7.780 8.939 -1.159 25195 6118 1 10 . 1 1 33 33 GLY C C 33 177.400 177.400 175.588 1.812 25195 6119 1 10 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.873 0.827 25195 6120 1 10 . 1 1 34 34 THR N N 34 123.700 123.700 117.296 6.404 25195 6121 1 10 . 1 1 34 34 THR HA H 34 4.250 4.250 3.831 0.419 25195 6122 1 10 . 1 1 34 34 THR C C 34 175.600 175.600 176.357 -0.757 25195 6123 1 10 . 1 1 34 34 THR CA C 34 67.600 67.600 66.757 0.843 25195 6124 1 10 . 1 1 34 34 THR CB C 34 68.700 68.700 68.659 0.041 25195 6125 1 10 . 1 1 34 34 THR H H 34 9.110 9.110 7.992 1.118 25195 6126 1 10 . 1 1 35 35 SER N N 35 123.600 123.600 117.969 5.631 25195 6127 1 10 . 1 1 35 35 SER C C 35 177.900 177.900 176.329 1.571 25195 6128 1 10 . 1 1 35 35 SER CA C 35 63.800 63.800 62.117 1.683 25195 6129 1 10 . 1 1 35 35 SER CB C 35 63.800 63.800 63.034 0.766 25195 6130 1 10 . 1 1 35 35 SER H H 35 9.530 9.530 8.418 1.112 25195 6131 1 10 . 1 1 36 36 ARG N N 36 113.400 113.400 120.979 -7.579 25195 6132 1 10 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.062 -0.062 25195 6133 1 10 . 1 1 36 36 ARG C C 36 179.200 179.200 178.663 0.537 25195 6134 1 10 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.230 2.071 25195 6135 1 10 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.989 1.311 25195 6136 1 10 . 1 1 36 36 ARG H H 36 8.740 8.740 8.533 0.207 25195 6137 1 10 . 1 1 37 37 LYS N N 37 121.900 121.900 120.272 1.628 25195 6138 1 10 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.115 0.025 25195 6139 1 10 . 1 1 37 37 LYS C C 37 179.400 179.400 178.418 0.982 25195 6140 1 10 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.414 0.286 25195 6141 1 10 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.308 0.292 25195 6142 1 10 . 1 1 37 37 LYS H H 37 7.980 7.980 7.859 0.121 25195 6143 1 10 . 1 1 38 38 VAL N N 38 120.900 120.900 121.048 -0.148 25195 6144 1 10 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.666 -0.046 25195 6145 1 10 . 1 1 38 38 VAL C C 38 177.300 177.300 178.019 -0.719 25195 6146 1 10 . 1 1 38 38 VAL CA C 38 67.300 67.300 65.817 1.483 25195 6147 1 10 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.857 0.043 25195 6148 1 10 . 1 1 38 38 VAL H H 38 8.670 8.670 8.079 0.591 25195 6149 1 10 . 1 1 39 39 LEU N N 39 120.200 120.200 119.388 0.812 25195 6150 1 10 . 1 1 39 39 LEU C C 39 178.300 178.300 179.190 -0.890 25195 6151 1 10 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.807 0.793 25195 6152 1 10 . 1 1 39 39 LEU CB C 39 41.600 41.600 40.572 1.028 25195 6153 1 10 . 1 1 39 39 LEU H H 39 8.300 8.300 8.788 -0.488 25195 6154 1 10 . 1 1 40 40 GLY N N 40 103.600 103.600 107.752 -4.152 25195 6155 1 10 . 1 1 40 40 GLY C C 40 176.600 176.600 176.561 0.039 25195 6156 1 10 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.152 0.248 25195 6157 1 10 . 1 1 40 40 GLY H H 40 8.050 8.050 8.138 -0.088 25195 6158 1 10 . 1 1 41 41 MET N N 41 122.300 122.300 121.191 1.109 25195 6159 1 10 . 1 1 41 41 MET HA H 41 4.030 4.030 4.237 -0.207 25195 6160 1 10 . 1 1 41 41 MET C C 41 179.200 179.200 179.116 0.084 25195 6161 1 10 . 1 1 41 41 MET CA C 41 59.900 59.900 57.499 2.401 25195 6162 1 10 . 1 1 41 41 MET CB C 41 33.600 33.600 31.773 1.827 25195 6163 1 10 . 1 1 41 41 MET H H 41 8.310 8.310 7.859 0.451 25195 6164 1 10 . 1 1 42 42 ILE N N 42 120.600 120.600 120.109 0.491 25195 6165 1 10 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.583 -0.043 25195 6166 1 10 . 1 1 42 42 ILE C C 42 177.600 177.600 177.712 -0.112 25195 6167 1 10 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.341 0.859 25195 6168 1 10 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.527 1.573 25195 6169 1 10 . 1 1 42 42 ILE H H 42 8.260 8.260 8.107 0.153 25195 6170 1 10 . 1 1 43 43 ARG N N 43 117.200 117.200 119.486 -2.286 25195 6171 1 10 . 1 1 43 43 ARG C C 43 182.100 182.100 178.607 3.493 25195 6172 1 10 . 1 1 43 43 ARG CA C 43 59.100 59.100 58.921 0.179 25195 6173 1 10 . 1 1 43 43 ARG CB C 43 29.400 29.400 29.709 -0.309 25195 6174 1 10 . 1 1 43 43 ARG H H 43 7.810 7.810 8.252 -0.442 25195 6175 1 10 . 1 1 44 44 GLU N N 44 122.200 122.200 119.872 2.328 25195 6176 1 10 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.147 -0.097 25195 6177 1 10 . 1 1 44 44 GLU C C 44 177.600 177.600 178.167 -0.567 25195 6178 1 10 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.308 0.792 25195 6179 1 10 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.556 -0.056 25195 6180 1 10 . 1 1 44 44 GLU H H 44 8.670 8.670 8.043 0.627 25195 6181 1 10 . 1 1 45 45 ALA N N 45 120.400 120.400 121.011 -0.611 25195 6182 1 10 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.171 0.249 25195 6183 1 10 . 1 1 45 45 ALA C C 45 177.300 177.300 178.141 -0.841 25195 6184 1 10 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.855 -0.355 25195 6185 1 10 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.561 -1.161 25195 6186 1 10 . 1 1 45 45 ALA H H 45 7.430 7.430 7.788 -0.358 25195 6187 1 10 . 1 1 46 46 GLY N N 46 106.000 106.000 106.020 -0.020 25195 6188 1 10 . 1 1 46 46 GLY C C 46 173.800 173.800 173.636 0.164 25195 6189 1 10 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.688 0.612 25195 6190 1 10 . 1 1 46 46 GLY H H 46 8.080 8.080 7.779 0.301 25195 6191 1 10 . 1 1 47 47 ILE N N 47 121.500 121.500 120.144 1.356 25195 6192 1 10 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.297 -0.197 25195 6193 1 10 . 1 1 47 47 ILE C C 47 174.100 174.100 174.364 -0.264 25195 6194 1 10 . 1 1 47 47 ILE CA C 47 59.700 59.700 59.232 0.468 25195 6195 1 10 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.672 0.428 25195 6196 1 10 . 1 1 47 47 ILE H H 47 7.180 7.180 7.595 -0.415 25195 6197 1 10 . 1 1 48 48 GLU N N 48 127.000 127.000 125.700 1.300 25195 6198 1 10 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.614 0.586 25195 6199 1 10 . 1 1 48 48 GLU CA C 48 51.300 51.300 51.920 -0.620 25195 6200 1 10 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.613 -1.213 25195 6201 1 10 . 1 1 48 48 GLU H H 48 8.440 8.440 8.616 -0.176 25195 6202 1 10 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.663 -0.023 25195 6203 1 10 . 1 1 49 49 PRO C C 49 175.200 175.200 176.225 -1.025 25195 6204 1 10 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.356 -0.456 25195 6205 1 10 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.609 0.091 25195 6206 1 10 . 1 1 50 50 HIS N N 50 119.000 119.000 118.981 0.019 25195 6207 1 10 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.707 -0.007 25195 6208 1 10 . 1 1 50 50 HIS C C 50 174.200 174.200 174.679 -0.479 25195 6209 1 10 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.975 0.425 25195 6210 1 10 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.445 -2.345 25195 6211 1 10 . 1 1 50 50 HIS H H 50 9.160 9.160 8.298 0.862 25195 6212 1 10 . 1 1 51 51 VAL N N 51 128.400 128.400 127.481 0.919 25195 6213 1 10 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.370 -0.130 25195 6214 1 10 . 1 1 51 51 VAL C C 51 175.600 175.600 174.892 0.708 25195 6215 1 10 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.524 -0.324 25195 6216 1 10 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.261 -0.061 25195 6217 1 10 . 1 1 51 51 VAL H H 51 8.760 8.760 8.862 -0.102 25195 6218 1 10 . 1 1 52 52 ILE N N 52 129.400 129.400 130.483 -1.083 25195 6219 1 10 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.450 -0.230 25195 6220 1 10 . 1 1 52 52 ILE C C 52 176.500 176.500 174.593 1.907 25195 6221 1 10 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.550 -0.250 25195 6222 1 10 . 1 1 52 52 ILE CB C 52 38.200 38.200 39.849 -1.649 25195 6223 1 10 . 1 1 52 52 ILE H H 52 9.000 9.000 8.885 0.115 25195 6224 1 10 . 1 1 53 53 GLU N N 53 129.900 129.900 128.289 1.611 25195 6225 1 10 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.532 0.598 25195 6226 1 10 . 1 1 53 53 GLU C C 53 174.200 174.200 175.797 -1.597 25195 6227 1 10 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.452 -0.552 25195 6228 1 10 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.253 -0.953 25195 6229 1 10 . 1 1 53 53 GLU H H 53 9.180 9.180 8.787 0.393 25195 6230 1 10 . 1 1 54 54 TYR N N 54 124.200 124.200 126.543 -2.343 25195 6231 1 10 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.666 0.534 25195 6232 1 10 . 1 1 54 54 TYR C C 54 174.200 174.200 173.753 0.447 25195 6233 1 10 . 1 1 54 54 TYR CA C 54 54.100 54.100 58.286 -4.186 25195 6234 1 10 . 1 1 54 54 TYR CB C 54 38.000 38.000 39.819 -1.819 25195 6235 1 10 . 1 1 54 54 TYR H H 54 8.460 8.460 8.354 0.106 25195 6236 1 10 . 1 1 55 55 MET N N 55 121.900 121.900 128.197 -6.297 25195 6237 1 10 . 1 1 55 55 MET H H 55 7.660 7.660 7.960 -0.300 25195 6238 1 10 . 1 1 56 56 LYS C C 56 176.700 176.700 174.981 1.719 25195 6239 1 10 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.441 0.459 25195 6240 1 10 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.701 -4.501 25195 6241 1 10 . 1 1 57 57 THR N N 57 114.700 114.700 117.173 -2.473 25195 6242 1 10 . 1 1 57 57 THR HA H 57 4.720 4.720 4.134 0.586 25195 6243 1 10 . 1 1 57 57 THR CB C 57 70.500 70.500 68.400 2.100 25195 6244 1 10 . 1 1 57 57 THR H H 57 7.940 7.940 8.335 -0.395 25195 6245 1 10 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.461 0.239 25195 6246 1 10 . 1 1 58 58 PRO C C 58 177.400 177.400 176.180 1.220 25195 6247 1 10 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.769 0.031 25195 6248 1 10 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.377 0.223 25195 6249 1 10 . 1 1 59 59 LEU N N 59 125.300 125.300 120.215 5.085 25195 6250 1 10 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.704 -0.124 25195 6251 1 10 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.087 1.214 25195 6252 1 10 . 1 1 59 59 LEU H H 59 8.760 8.760 8.205 0.555 25195 6253 1 10 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.567 -0.057 25195 6254 1 10 . 1 1 60 60 PRO C C 60 178.400 178.400 177.629 0.771 25195 6255 1 10 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.094 0.006 25195 6256 1 10 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.518 -0.218 25195 6257 1 10 . 1 1 61 61 ARG N N 61 125.800 125.800 119.932 5.868 25195 6258 1 10 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.847 -0.147 25195 6259 1 10 . 1 1 61 61 ARG C C 61 177.800 177.800 177.550 0.250 25195 6260 1 10 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.852 0.948 25195 6261 1 10 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.232 1.168 25195 6262 1 10 . 1 1 61 61 ARG H H 61 8.980 8.980 8.766 0.214 25195 6263 1 10 . 1 1 62 62 ASP N N 62 113.300 113.300 120.967 -7.667 25195 6264 1 10 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.379 -0.139 25195 6265 1 10 . 1 1 62 62 ASP C C 62 179.100 179.100 178.664 0.436 25195 6266 1 10 . 1 1 62 62 ASP CA C 62 57.000 57.000 56.983 0.017 25195 6267 1 10 . 1 1 62 62 ASP CB C 62 39.700 39.700 39.994 -0.294 25195 6268 1 10 . 1 1 62 62 ASP H H 62 8.820 8.820 8.616 0.204 25195 6269 1 10 . 1 1 63 63 MET N N 63 118.800 118.800 118.282 0.518 25195 6270 1 10 . 1 1 63 63 MET HA H 63 4.460 4.460 4.172 0.288 25195 6271 1 10 . 1 1 63 63 MET C C 63 177.700 177.700 178.817 -1.117 25195 6272 1 10 . 1 1 63 63 MET CA C 63 57.200 57.200 58.052 -0.852 25195 6273 1 10 . 1 1 63 63 MET CB C 63 32.500 32.500 31.699 0.801 25195 6274 1 10 . 1 1 63 63 MET H H 63 7.340 7.340 8.103 -0.763 25195 6275 1 10 . 1 1 64 64 LEU N N 64 121.000 121.000 120.488 0.512 25195 6276 1 10 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.062 -0.102 25195 6277 1 10 . 1 1 64 64 LEU C C 64 178.000 178.000 178.729 -0.729 25195 6278 1 10 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.200 0.100 25195 6279 1 10 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.871 -0.471 25195 6280 1 10 . 1 1 64 64 LEU H H 64 7.570 7.570 7.966 -0.396 25195 6281 1 10 . 1 1 65 65 VAL N N 65 117.200 117.200 120.148 -2.948 25195 6282 1 10 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.479 -0.049 25195 6283 1 10 . 1 1 65 65 VAL C C 65 178.500 178.500 178.035 0.465 25195 6284 1 10 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.094 0.506 25195 6285 1 10 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.436 0.564 25195 6286 1 10 . 1 1 65 65 VAL H H 65 8.250 8.250 8.140 0.110 25195 6287 1 10 . 1 1 66 66 GLU N N 66 120.200 120.200 120.239 -0.039 25195 6288 1 10 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.051 0.289 25195 6289 1 10 . 1 1 66 66 GLU C C 66 178.500 178.500 179.283 -0.783 25195 6290 1 10 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.563 -0.863 25195 6291 1 10 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.669 -0.469 25195 6292 1 10 . 1 1 66 66 GLU H H 66 7.510 7.510 7.909 -0.399 25195 6293 1 10 . 1 1 67 67 LEU N N 67 121.100 121.100 119.675 1.425 25195 6294 1 10 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.104 -0.114 25195 6295 1 10 . 1 1 67 67 LEU C C 67 179.400 179.400 178.832 0.568 25195 6296 1 10 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.234 0.166 25195 6297 1 10 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.016 -0.216 25195 6298 1 10 . 1 1 67 67 LEU H H 67 8.480 8.480 7.947 0.533 25195 6299 1 10 . 1 1 68 68 LEU N N 68 118.500 118.500 117.620 0.880 25195 6300 1 10 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.260 -0.480 25195 6301 1 10 . 1 1 68 68 LEU C C 68 179.100 179.100 178.464 0.636 25195 6302 1 10 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.785 0.915 25195 6303 1 10 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.443 -0.043 25195 6304 1 10 . 1 1 68 68 LEU H H 68 8.250 8.250 8.364 -0.114 25195 6305 1 10 . 1 1 69 69 ARG N N 69 119.200 119.200 118.542 0.658 25195 6306 1 10 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.285 -0.235 25195 6307 1 10 . 1 1 69 69 ARG C C 69 180.400 180.400 178.055 2.345 25195 6308 1 10 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.339 1.161 25195 6309 1 10 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.147 -0.047 25195 6310 1 10 . 1 1 69 69 ARG H H 69 7.950 7.950 8.346 -0.396 25195 6311 1 10 . 1 1 70 70 GLN N N 70 118.500 118.500 117.229 1.271 25195 6312 1 10 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.180 -0.150 25195 6313 1 10 . 1 1 70 70 GLN C C 70 179.900 179.900 178.089 1.811 25195 6314 1 10 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.672 1.228 25195 6315 1 10 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.466 0.933 25195 6316 1 10 . 1 1 70 70 GLN H H 70 8.450 8.450 7.774 0.676 25195 6317 1 10 . 1 1 71 71 MET N N 71 117.500 117.500 119.215 -1.715 25195 6318 1 10 . 1 1 71 71 MET HA H 71 4.140 4.140 4.111 0.029 25195 6319 1 10 . 1 1 71 71 MET C C 71 175.200 175.200 177.017 -1.817 25195 6320 1 10 . 1 1 71 71 MET CA C 71 58.200 58.200 58.051 0.149 25195 6321 1 10 . 1 1 71 71 MET CB C 71 36.200 36.200 33.090 3.110 25195 6322 1 10 . 1 1 71 71 MET H H 71 8.380 8.380 7.926 0.454 25195 6323 1 10 . 1 1 72 72 ALA N N 72 120.400 120.400 117.403 2.997 25195 6324 1 10 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.461 -0.431 25195 6325 1 10 . 1 1 72 72 ALA C C 72 176.600 176.600 176.852 -0.252 25195 6326 1 10 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.256 0.544 25195 6327 1 10 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.270 -4.770 25195 6328 1 10 . 1 1 72 72 ALA H H 72 8.100 8.100 7.638 0.462 25195 6329 1 10 . 1 1 73 73 ILE N N 73 108.600 108.600 115.075 -6.475 25195 6330 1 10 . 1 1 73 73 ILE C C 73 174.700 174.700 174.529 0.171 25195 6331 1 10 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.695 0.205 25195 6332 1 10 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.179 2.421 25195 6333 1 10 . 1 1 73 73 ILE H H 73 7.240 7.240 7.953 -0.713 25195 6334 1 10 . 1 1 74 74 SER N N 74 116.500 116.500 117.825 -1.325 25195 6335 1 10 . 1 1 74 74 SER HA H 74 4.780 4.780 4.541 0.239 25195 6336 1 10 . 1 1 74 74 SER CA C 74 55.900 55.900 58.985 -3.085 25195 6337 1 10 . 1 1 74 74 SER CB C 74 63.500 63.500 63.041 0.459 25195 6338 1 10 . 1 1 74 74 SER H H 74 8.290 8.290 8.605 -0.315 25195 6339 1 10 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.410 0.350 25195 6340 1 10 . 1 1 75 75 PRO C C 75 178.200 178.200 177.722 0.478 25195 6341 1 10 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.647 0.953 25195 6342 1 10 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.951 0.148 25195 6343 1 10 . 1 1 76 76 ARG N N 76 114.400 114.400 117.995 -3.595 25195 6344 1 10 . 1 1 76 76 ARG C C 76 178.100 178.100 176.349 1.751 25195 6345 1 10 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.717 1.283 25195 6346 1 10 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.660 -0.260 25195 6347 1 10 . 1 1 76 76 ARG H H 76 8.340 8.340 8.126 0.214 25195 6348 1 10 . 1 1 77 77 ALA N N 77 119.400 119.400 119.933 -0.533 25195 6349 1 10 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.546 -0.316 25195 6350 1 10 . 1 1 77 77 ALA C C 77 178.100 178.100 176.717 1.383 25195 6351 1 10 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.061 2.739 25195 6352 1 10 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.108 -0.508 25195 6353 1 10 . 1 1 77 77 ALA H H 77 7.720 7.720 7.525 0.195 25195 6354 1 10 . 1 1 78 78 LEU N N 78 119.400 119.400 120.223 -0.823 25195 6355 1 10 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.407 -0.027 25195 6356 1 10 . 1 1 78 78 LEU C C 78 174.800 174.800 176.657 -1.857 25195 6357 1 10 . 1 1 78 78 LEU CA C 78 52.900 52.900 54.925 -2.025 25195 6358 1 10 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.453 0.647 25195 6359 1 10 . 1 1 78 78 LEU H H 78 7.610 7.610 7.393 0.217 25195 6360 1 10 . 1 1 79 79 LEU N N 79 118.700 118.700 120.983 -2.283 25195 6361 1 10 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.957 0.693 25195 6362 1 10 . 1 1 79 79 LEU C C 79 178.900 178.900 176.648 2.252 25195 6363 1 10 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.981 0.119 25195 6364 1 10 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.089 5.511 25195 6365 1 10 . 1 1 79 79 LEU H H 79 7.220 7.220 7.833 -0.613 25195 6366 1 10 . 1 1 80 80 ARG N N 80 124.000 124.000 123.918 0.082 25195 6367 1 10 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.068 0.152 25195 6368 1 10 . 1 1 80 80 ARG C C 80 174.800 174.800 175.884 -1.084 25195 6369 1 10 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.258 -0.058 25195 6370 1 10 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.512 0.188 25195 6371 1 10 . 1 1 80 80 ARG H H 80 8.780 8.780 7.917 0.863 25195 6372 1 10 . 1 1 81 81 ALA N N 81 124.400 124.400 121.791 2.609 25195 6373 1 10 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.255 -1.765 25195 6374 1 10 . 1 1 81 81 ALA C C 81 177.600 177.600 178.885 -1.285 25195 6375 1 10 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.506 -1.806 25195 6376 1 10 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.926 -0.326 25195 6377 1 10 . 1 1 81 81 ALA H H 81 7.420 7.420 8.502 -1.082 25195 6378 1 10 . 1 1 82 82 LYS N N 82 114.500 114.500 117.403 -2.903 25195 6379 1 10 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.019 0.231 25195 6380 1 10 . 1 1 82 82 LYS C C 82 177.700 177.700 178.488 -0.788 25195 6381 1 10 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.106 -2.306 25195 6382 1 10 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.048 -0.648 25195 6383 1 10 . 1 1 82 82 LYS H H 82 8.190 8.190 8.511 -0.321 25195 6384 1 10 . 1 1 83 83 GLU N N 83 118.700 118.700 119.989 -1.289 25195 6385 1 10 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.365 -0.165 25195 6386 1 10 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.500 0.300 25195 6387 1 10 . 1 1 83 83 GLU CB C 83 29.300 29.300 28.000 1.300 25195 6388 1 10 . 1 1 83 83 GLU H H 83 7.120 7.120 7.813 -0.693 25195 6389 1 10 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.911 0.299 25195 6390 1 10 . 1 1 84 84 ALA C C 84 180.900 180.900 179.208 1.692 25195 6391 1 10 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.804 -0.104 25195 6392 1 10 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.681 -0.881 25195 6393 1 10 . 1 1 85 85 ARG N N 85 115.800 115.800 118.599 -2.799 25195 6394 1 10 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.959 0.101 25195 6395 1 10 . 1 1 85 85 ARG C C 85 178.200 178.200 178.359 -0.159 25195 6396 1 10 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.897 -1.997 25195 6397 1 10 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.554 0.346 25195 6398 1 10 . 1 1 85 85 ARG H H 85 9.280 9.280 8.201 1.079 25195 6399 1 10 . 1 1 86 86 TYR N N 86 118.300 118.300 120.192 -1.892 25195 6400 1 10 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.073 -0.233 25195 6401 1 10 . 1 1 86 86 TYR C C 86 176.500 176.500 176.470 0.030 25195 6402 1 10 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.773 -0.572 25195 6403 1 10 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.666 0.534 25195 6404 1 10 . 1 1 86 86 TYR H H 86 7.270 7.270 8.782 -1.512 25195 6405 1 10 . 1 1 87 87 ALA N N 87 120.500 120.500 119.827 0.673 25195 6406 1 10 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.602 0.738 25195 6407 1 10 . 1 1 87 87 ALA C C 87 181.900 181.900 180.298 1.602 25195 6408 1 10 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.915 0.485 25195 6409 1 10 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.901 0.499 25195 6410 1 10 . 1 1 87 87 ALA H H 87 7.110 7.110 7.613 -0.503 25195 6411 1 10 . 1 1 88 88 GLU N N 88 119.500 119.500 120.085 -0.585 25195 6412 1 10 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.027 -0.047 25195 6413 1 10 . 1 1 88 88 GLU C C 88 178.800 178.800 178.462 0.338 25195 6414 1 10 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.698 0.602 25195 6415 1 10 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.493 1.007 25195 6416 1 10 . 1 1 88 88 GLU H H 88 8.240 8.240 8.027 0.213 25195 6417 1 10 . 1 1 89 89 LEU N N 89 115.100 115.100 117.282 -2.182 25195 6418 1 10 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.214 0.066 25195 6419 1 10 . 1 1 89 89 LEU C C 89 176.900 176.900 177.408 -0.508 25195 6420 1 10 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.533 -1.033 25195 6421 1 10 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.317 0.483 25195 6422 1 10 . 1 1 89 89 LEU H H 89 7.430 7.430 7.913 -0.483 25195 6423 1 10 . 1 1 90 90 GLY N N 90 108.200 108.200 105.992 2.208 25195 6424 1 10 . 1 1 90 90 GLY C C 90 176.900 176.900 175.844 1.056 25195 6425 1 10 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.593 1.407 25195 6426 1 10 . 1 1 90 90 GLY H H 90 7.690 7.690 7.581 0.109 25195 6427 1 10 . 1 1 91 91 LEU N N 91 113.000 113.000 119.754 -6.754 25195 6428 1 10 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.045 -0.275 25195 6429 1 10 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.488 -1.788 25195 6430 1 10 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.247 -1.947 25195 6431 1 10 . 1 1 91 91 LEU H H 91 7.000 7.000 7.418 -0.418 25195 6432 1 10 . 1 1 92 92 ASP N N 92 117.000 117.000 115.164 1.836 25195 6433 1 10 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.451 -0.011 25195 6434 1 10 . 1 1 92 92 ASP C C 92 175.400 175.400 176.580 -1.180 25195 6435 1 10 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.911 -0.111 25195 6436 1 10 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.137 0.563 25195 6437 1 10 . 1 1 92 92 ASP H H 92 8.510 8.510 7.807 0.703 25195 6438 1 10 . 1 1 93 93 ASP N N 93 120.600 120.600 121.548 -0.948 25195 6439 1 10 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.607 -0.027 25195 6440 1 10 . 1 1 93 93 ASP C C 93 176.000 176.000 176.950 -0.950 25195 6441 1 10 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.481 -1.381 25195 6442 1 10 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.865 0.635 25195 6443 1 10 . 1 1 93 93 ASP H H 93 7.000 7.000 7.680 -0.680 25195 6444 1 10 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.312 -0.012 25195 6445 1 10 . 1 1 94 94 PRO C C 94 178.100 178.100 176.838 1.262 25195 6446 1 10 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.833 -0.033 25195 6447 1 10 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.935 0.265 25195 6448 1 10 . 1 1 95 95 ALA N N 95 121.900 121.900 120.028 1.872 25195 6449 1 10 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.301 -0.031 25195 6450 1 10 . 1 1 95 95 ALA C C 95 178.400 178.400 177.615 0.785 25195 6451 1 10 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.348 0.152 25195 6452 1 10 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.769 0.431 25195 6453 1 10 . 1 1 95 95 ALA H H 95 8.610 8.610 8.024 0.586 25195 6454 1 10 . 1 1 96 96 LEU N N 96 117.600 117.600 120.354 -2.754 25195 6455 1 10 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.363 -0.193 25195 6456 1 10 . 1 1 96 96 LEU C C 96 177.600 177.600 176.678 0.922 25195 6457 1 10 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.473 0.027 25195 6458 1 10 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.651 -0.251 25195 6459 1 10 . 1 1 96 96 LEU H H 96 7.010 7.010 7.548 -0.538 25195 6460 1 10 . 1 1 97 97 SER N N 97 119.200 119.200 112.921 6.279 25195 6461 1 10 . 1 1 97 97 SER HA H 97 4.360 4.360 4.858 -0.498 25195 6462 1 10 . 1 1 97 97 SER C C 97 174.400 174.400 174.330 0.070 25195 6463 1 10 . 1 1 97 97 SER CA C 97 57.300 57.300 57.264 0.036 25195 6464 1 10 . 1 1 97 97 SER CB C 97 64.900 64.900 65.638 -0.738 25195 6465 1 10 . 1 1 97 97 SER H H 97 8.620 8.620 8.009 0.611 25195 6466 1 10 . 1 1 98 98 ASP N N 98 122.000 122.000 122.206 -0.206 25195 6467 1 10 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.350 -0.080 25195 6468 1 10 . 1 1 98 98 ASP C C 98 178.100 178.100 178.077 0.023 25195 6469 1 10 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.320 0.480 25195 6470 1 10 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.711 -0.611 25195 6471 1 10 . 1 1 98 98 ASP H H 98 9.050 9.050 8.681 0.369 25195 6472 1 10 . 1 1 99 99 GLU N N 99 116.100 116.100 120.838 -4.738 25195 6473 1 10 . 1 1 99 99 GLU HA H 99 3.790 3.790 3.886 -0.096 25195 6474 1 10 . 1 1 99 99 GLU C C 99 176.800 176.800 178.622 -1.822 25195 6475 1 10 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.901 -0.001 25195 6476 1 10 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.501 -0.301 25195 6477 1 10 . 1 1 99 99 GLU H H 99 8.250 8.250 8.566 -0.316 25195 6478 1 10 . 1 1 100 100 VAL N N 100 118.000 118.000 116.759 1.241 25195 6479 1 10 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.804 0.006 25195 6480 1 10 . 1 1 100 100 VAL C C 100 179.200 179.200 178.194 1.006 25195 6481 1 10 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.380 0.220 25195 6482 1 10 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.369 0.031 25195 6483 1 10 . 1 1 100 100 VAL H H 100 7.290 7.290 7.510 -0.220 25195 6484 1 10 . 1 1 101 101 LEU N N 101 120.100 120.100 120.942 -0.842 25195 6485 1 10 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.038 -0.088 25195 6486 1 10 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.965 0.135 25195 6487 1 10 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.846 0.654 25195 6488 1 10 . 1 1 101 101 LEU H H 101 7.610 7.610 7.874 -0.264 25195 6489 1 10 . 1 1 102 102 ILE N N 102 118.900 118.900 119.536 -0.636 25195 6490 1 10 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.534 -0.114 25195 6491 1 10 . 1 1 102 102 ILE C C 102 177.700 177.700 177.749 -0.049 25195 6492 1 10 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.284 0.117 25195 6493 1 10 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.626 0.874 25195 6494 1 10 . 1 1 102 102 ILE H H 102 8.260 8.260 8.579 -0.319 25195 6495 1 10 . 1 1 103 103 ASP N N 103 118.000 118.000 120.133 -2.133 25195 6496 1 10 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.222 0.098 25195 6497 1 10 . 1 1 103 103 ASP C C 103 179.400 179.400 178.502 0.898 25195 6498 1 10 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.844 -0.044 25195 6499 1 10 . 1 1 103 103 ASP CB C 103 40.100 40.100 41.014 -0.914 25195 6500 1 10 . 1 1 103 103 ASP H H 103 8.080 8.080 8.100 -0.020 25195 6501 1 10 . 1 1 104 104 ALA N N 104 121.500 121.500 122.061 -0.561 25195 6502 1 10 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.131 -0.061 25195 6503 1 10 . 1 1 104 104 ALA C C 104 179.900 179.900 179.652 0.248 25195 6504 1 10 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.805 0.595 25195 6505 1 10 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.374 -0.674 25195 6506 1 10 . 1 1 104 104 ALA H H 104 8.210 8.210 8.047 0.163 25195 6507 1 10 . 1 1 105 105 MET N N 105 115.800 115.800 119.244 -3.444 25195 6508 1 10 . 1 1 105 105 MET HA H 105 3.940 3.940 4.136 -0.196 25195 6509 1 10 . 1 1 105 105 MET C C 105 176.700 176.700 178.362 -1.662 25195 6510 1 10 . 1 1 105 105 MET CA C 105 59.500 59.500 58.993 0.507 25195 6511 1 10 . 1 1 105 105 MET CB C 105 35.400 35.400 33.028 2.372 25195 6512 1 10 . 1 1 105 105 MET H H 105 7.520 7.520 7.717 -0.197 25195 6513 1 10 . 1 1 106 106 ILE N N 106 118.100 118.100 116.050 2.050 25195 6514 1 10 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.879 0.141 25195 6515 1 10 . 1 1 106 106 ILE C C 106 178.200 178.200 177.657 0.543 25195 6516 1 10 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.346 -1.346 25195 6517 1 10 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.400 0.300 25195 6518 1 10 . 1 1 106 106 ILE H H 106 7.730 7.730 8.579 -0.849 25195 6519 1 10 . 1 1 107 107 SER N N 107 112.400 112.400 114.229 -1.829 25195 6520 1 10 . 1 1 107 107 SER HA H 107 4.340 4.340 4.372 -0.032 25195 6521 1 10 . 1 1 107 107 SER C C 107 174.800 174.800 175.155 -0.355 25195 6522 1 10 . 1 1 107 107 SER CA C 107 60.400 60.400 59.582 0.818 25195 6523 1 10 . 1 1 107 107 SER CB C 107 64.000 64.000 64.334 -0.334 25195 6524 1 10 . 1 1 107 107 SER H H 107 8.160 8.160 7.644 0.516 25195 6525 1 10 . 1 1 108 108 ASN N N 108 116.400 116.400 121.007 -4.607 25195 6526 1 10 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.010 0.280 25195 6527 1 10 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.858 -1.758 25195 6528 1 10 . 1 1 108 108 ASN CB C 108 40.200 40.200 39.107 1.093 25195 6529 1 10 . 1 1 108 108 ASN H H 108 7.700 7.700 7.865 -0.165 25195 6530 1 10 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.387 0.383 25195 6531 1 10 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.964 0.836 25195 6532 1 10 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.763 0.437 25195 6533 1 10 . 1 1 110 110 VAL N N 110 119.100 119.100 119.710 -0.610 25195 6534 1 10 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.885 0.165 25195 6535 1 10 . 1 1 110 110 VAL C C 110 175.200 175.200 177.072 -1.872 25195 6536 1 10 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.582 1.018 25195 6537 1 10 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.167 0.033 25195 6538 1 10 . 1 1 110 110 VAL H H 110 8.280 8.280 8.141 0.139 25195 6539 1 10 . 1 1 111 111 LEU N N 111 115.200 115.200 114.991 0.209 25195 6540 1 10 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.458 -0.058 25195 6541 1 10 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.240 2.960 25195 6542 1 10 . 1 1 111 111 LEU H H 111 8.420 8.420 7.279 1.141 25195 6543 1 10 . 1 1 112 112 MET N N 112 118.900 118.900 120.795 -1.895 25195 6544 1 10 . 1 1 112 112 MET HA H 112 4.060 4.060 4.219 -0.159 25195 6545 1 10 . 1 1 112 112 MET CA C 112 56.500 56.500 56.566 -0.066 25195 6546 1 10 . 1 1 112 112 MET CB C 112 35.600 35.600 31.629 3.971 25195 6547 1 10 . 1 1 112 112 MET H H 112 7.940 7.940 7.770 0.170 25195 6548 1 10 . 1 1 113 113 ASN N N 113 125.800 125.800 123.832 1.968 25195 6549 1 10 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.696 -0.056 25195 6550 1 10 . 1 1 113 113 ASN C C 113 170.700 170.700 176.287 -5.587 25195 6551 1 10 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.467 -1.267 25195 6552 1 10 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.942 -2.042 25195 6553 1 10 . 1 1 113 113 ASN H H 113 9.140 9.140 8.282 0.858 25195 6554 1 10 . 1 1 114 114 ARG N N 114 113.200 113.200 120.696 -7.496 25195 6555 1 10 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.855 -5.056 25195 6556 1 10 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.512 2.288 25195 6557 1 10 . 1 1 114 114 ARG H H 114 7.970 7.970 8.448 -0.478 25195 6558 1 10 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.781 0.039 25195 6559 1 10 . 1 1 115 115 PRO C C 115 175.400 175.400 176.025 -0.625 25195 6560 1 10 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.490 0.110 25195 6561 1 10 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.421 1.979 25195 6562 1 10 . 1 1 116 116 VAL N N 116 124.500 124.500 126.788 -2.288 25195 6563 1 10 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.419 0.661 25195 6564 1 10 . 1 1 116 116 VAL C C 116 174.500 174.500 174.048 0.452 25195 6565 1 10 . 1 1 116 116 VAL CA C 116 62.500 62.500 60.977 1.523 25195 6566 1 10 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.580 -2.580 25195 6567 1 10 . 1 1 116 116 VAL H H 116 7.840 7.840 8.930 -1.090 25195 6568 1 10 . 1 1 117 117 VAL N N 117 128.000 128.000 126.346 1.654 25195 6569 1 10 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.334 0.446 25195 6570 1 10 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.002 0.998 25195 6571 1 10 . 1 1 117 117 VAL CB C 117 34.800 34.800 33.819 0.981 25195 6572 1 10 . 1 1 117 117 VAL H H 117 8.670 8.670 9.037 -0.367 25195 6573 1 10 . 1 1 118 118 VAL N N 118 125.700 125.700 129.285 -3.585 25195 6574 1 10 . 1 1 118 118 VAL C C 118 175.700 175.700 175.133 0.567 25195 6575 1 10 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.044 0.157 25195 6576 1 10 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.390 2.610 25195 6577 1 10 . 1 1 118 118 VAL H H 118 9.110 9.110 9.070 0.040 25195 6578 1 10 . 1 1 119 119 THR N N 119 118.500 118.500 117.458 1.042 25195 6579 1 10 . 1 1 119 119 THR HA H 119 5.490 5.490 4.994 0.496 25195 6580 1 10 . 1 1 119 119 THR CA C 119 58.800 58.800 58.858 -0.058 25195 6581 1 10 . 1 1 119 119 THR CB C 119 69.800 69.800 70.042 -0.242 25195 6582 1 10 . 1 1 119 119 THR H H 119 9.370 9.370 8.922 0.448 25195 6583 1 10 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.523 -0.043 25195 6584 1 10 . 1 1 120 120 PRO C C 120 177.800 177.800 176.738 1.062 25195 6585 1 10 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.323 0.777 25195 6586 1 10 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.808 0.492 25195 6587 1 10 . 1 1 121 121 LYS N N 121 113.600 113.600 116.635 -3.035 25195 6588 1 10 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.447 -0.187 25195 6589 1 10 . 1 1 121 121 LYS C C 121 176.400 176.400 176.244 0.156 25195 6590 1 10 . 1 1 121 121 LYS CA C 121 57.200 57.200 56.031 1.169 25195 6591 1 10 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.481 0.319 25195 6592 1 10 . 1 1 121 121 LYS H H 121 8.360 8.360 8.184 0.176 25195 6593 1 10 . 1 1 122 122 GLY N N 122 108.400 108.400 107.698 0.702 25195 6594 1 10 . 1 1 122 122 GLY C C 122 169.500 169.500 171.384 -1.884 25195 6595 1 10 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.091 0.009 25195 6596 1 10 . 1 1 122 122 GLY H H 122 7.900 7.900 7.545 0.355 25195 6597 1 10 . 1 1 123 123 VAL N N 123 117.100 117.100 119.842 -2.742 25195 6598 1 10 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.986 0.474 25195 6599 1 10 . 1 1 123 123 VAL C C 123 176.100 176.100 174.337 1.763 25195 6600 1 10 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.635 -0.635 25195 6601 1 10 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.081 -0.281 25195 6602 1 10 . 1 1 123 123 VAL H H 123 8.080 8.080 8.394 -0.314 25195 6603 1 10 . 1 1 124 124 ARG N N 124 122.300 122.300 124.881 -2.581 25195 6604 1 10 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.574 0.086 25195 6605 1 10 . 1 1 124 124 ARG C C 124 174.800 174.800 174.035 0.765 25195 6606 1 10 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.100 0.300 25195 6607 1 10 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.605 1.295 25195 6608 1 10 . 1 1 124 124 ARG H H 124 8.510 8.510 8.626 -0.116 25195 6609 1 10 . 1 1 125 125 LEU N N 125 125.500 125.500 121.808 3.692 25195 6610 1 10 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.393 0.207 25195 6611 1 10 . 1 1 125 125 LEU C C 125 176.500 176.500 178.913 -2.413 25195 6612 1 10 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.319 -0.619 25195 6613 1 10 . 1 1 125 125 LEU CB C 125 40.900 40.900 40.791 0.109 25195 6614 1 10 . 1 1 125 125 LEU H H 125 8.860 8.860 8.590 0.270 25195 6615 1 10 . 1 1 126 126 CYS N N 126 129.700 129.700 122.817 6.883 25195 6616 1 10 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.132 0.358 25195 6617 1 10 . 1 1 126 126 CYS C C 126 172.000 172.000 174.085 -2.085 25195 6618 1 10 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.887 0.013 25195 6619 1 10 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.437 -0.137 25195 6620 1 10 . 1 1 126 126 CYS H H 126 8.540 8.540 8.655 -0.115 25195 6621 1 10 . 1 1 127 127 ARG N N 127 117.500 117.500 119.215 -1.715 25195 6622 1 10 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.685 -0.495 25195 6623 1 10 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.017 0.183 25195 6624 1 10 . 1 1 127 127 ARG CB C 127 33.400 33.400 30.770 2.630 25195 6625 1 10 . 1 1 127 127 ARG H H 127 6.930 6.930 7.197 -0.267 25195 6626 1 10 . 1 1 128 128 PRO C C 128 177.100 177.100 177.038 0.062 25195 6627 1 10 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.242 0.958 25195 6628 1 10 . 1 1 128 128 PRO CB C 128 35.300 35.300 33.016 2.284 25195 6629 1 10 . 1 1 129 129 ALA N N 129 124.000 124.000 120.649 3.351 25195 6630 1 10 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.046 -0.196 25195 6631 1 10 . 1 1 129 129 ALA C C 129 177.700 177.700 180.094 -2.394 25195 6632 1 10 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.994 0.206 25195 6633 1 10 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.456 1.444 25195 6634 1 10 . 1 1 129 129 ALA H H 129 9.320 9.320 8.532 0.788 25195 6635 1 10 . 1 1 130 130 GLU N N 130 111.600 111.600 117.324 -5.724 25195 6636 1 10 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.035 -0.195 25195 6637 1 10 . 1 1 130 130 GLU C C 130 178.200 178.200 178.594 -0.394 25195 6638 1 10 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.492 1.008 25195 6639 1 10 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.419 -1.319 25195 6640 1 10 . 1 1 130 130 GLU H H 130 9.490 9.490 8.772 0.718 25195 6641 1 10 . 1 1 131 131 THR N N 131 116.100 116.100 114.001 2.099 25195 6642 1 10 . 1 1 131 131 THR HA H 131 4.040 4.040 4.089 -0.049 25195 6643 1 10 . 1 1 131 131 THR C C 131 175.800 175.800 176.227 -0.427 25195 6644 1 10 . 1 1 131 131 THR CA C 131 65.600 65.600 65.585 0.015 25195 6645 1 10 . 1 1 131 131 THR CB C 131 69.800 69.800 68.418 1.381 25195 6646 1 10 . 1 1 131 131 THR H H 131 7.940 7.940 7.733 0.207 25195 6647 1 10 . 1 1 132 132 VAL N N 132 119.200 119.200 121.788 -2.588 25195 6648 1 10 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.608 0.272 25195 6649 1 10 . 1 1 132 132 VAL C C 132 176.500 176.500 177.592 -1.092 25195 6650 1 10 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.671 -1.571 25195 6651 1 10 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.518 0.882 25195 6652 1 10 . 1 1 132 132 VAL H H 132 8.130 8.130 7.610 0.520 25195 6653 1 10 . 1 1 133 133 GLN N N 133 118.500 118.500 118.749 -0.249 25195 6654 1 10 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.063 -0.213 25195 6655 1 10 . 1 1 133 133 GLN C C 133 178.500 178.500 178.032 0.468 25195 6656 1 10 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.548 0.252 25195 6657 1 10 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.368 -0.368 25195 6658 1 10 . 1 1 133 133 GLN H H 133 7.690 7.690 7.975 -0.285 25195 6659 1 10 . 1 1 134 134 GLU N N 134 115.200 115.200 118.783 -3.583 25195 6660 1 10 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.140 -0.000 25195 6661 1 10 . 1 1 134 134 GLU C C 134 177.000 177.000 178.347 -1.347 25195 6662 1 10 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.910 -0.110 25195 6663 1 10 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.866 0.034 25195 6664 1 10 . 1 1 134 134 GLU H H 134 7.620 7.620 7.619 0.001 25195 6665 1 10 . 1 1 135 135 LEU N N 135 115.600 115.600 120.032 -4.432 25195 6666 1 10 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.194 0.026 25195 6667 1 10 . 1 1 135 135 LEU C C 135 176.100 176.100 176.961 -0.861 25195 6668 1 10 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.782 -2.982 25195 6669 1 10 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.786 0.513 25195 6670 1 10 . 1 1 135 135 LEU H H 135 7.740 7.740 7.864 -0.124 25195 6671 1 11 . 1 1 9 9 MET C C 9 176.700 176.700 174.046 2.654 25195 6672 1 11 . 1 1 9 9 MET CA C 9 55.600 55.600 54.851 0.749 25195 6673 1 11 . 1 1 9 9 MET CB C 9 32.700 32.700 35.255 -2.555 25195 6674 1 11 . 1 1 10 10 GLY N N 10 109.800 109.800 109.539 0.261 25195 6675 1 11 . 1 1 10 10 GLY C C 10 174.400 174.400 172.541 1.859 25195 6676 1 11 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.631 0.669 25195 6677 1 11 . 1 1 10 10 GLY H H 10 8.480 8.480 8.813 -0.333 25195 6678 1 11 . 1 1 11 11 THR N N 11 113.500 113.500 113.510 -0.010 25195 6679 1 11 . 1 1 11 11 THR HA H 11 4.330 4.330 4.800 -0.470 25195 6680 1 11 . 1 1 11 11 THR CA C 11 62.100 62.100 61.694 0.406 25195 6681 1 11 . 1 1 11 11 THR CB C 11 69.900 69.900 70.101 -0.201 25195 6682 1 11 . 1 1 11 11 THR H H 11 8.080 8.080 8.521 -0.441 25195 6683 1 11 . 1 1 12 12 LEU N N 12 123.900 123.900 124.499 -0.599 25195 6684 1 11 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.566 -0.256 25195 6685 1 11 . 1 1 12 12 LEU C C 12 177.700 177.700 175.018 2.682 25195 6686 1 11 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.407 1.393 25195 6687 1 11 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.330 -2.130 25195 6688 1 11 . 1 1 12 12 LEU H H 12 8.390 8.390 8.295 0.095 25195 6689 1 11 . 1 1 13 13 GLU N N 13 121.300 121.300 122.544 -1.244 25195 6690 1 11 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.486 -0.286 25195 6691 1 11 . 1 1 13 13 GLU C C 13 176.500 176.500 175.705 0.795 25195 6692 1 11 . 1 1 13 13 GLU CA C 13 57.100 57.100 56.065 1.035 25195 6693 1 11 . 1 1 13 13 GLU CB C 13 29.900 29.900 30.297 -0.397 25195 6694 1 11 . 1 1 13 13 GLU H H 13 8.430 8.430 8.557 -0.127 25195 6695 1 11 . 1 1 14 14 ALA N N 14 124.100 124.100 124.346 -0.246 25195 6696 1 11 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.360 -0.090 25195 6697 1 11 . 1 1 14 14 ALA C C 14 177.900 177.900 175.988 1.912 25195 6698 1 11 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.528 1.272 25195 6699 1 11 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.252 -1.052 25195 6700 1 11 . 1 1 14 14 ALA H H 14 8.270 8.270 8.206 0.064 25195 6701 1 11 . 1 1 15 15 GLN N N 15 118.900 118.900 121.394 -2.494 25195 6702 1 11 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.707 -0.467 25195 6703 1 11 . 1 1 15 15 GLN C C 15 176.500 176.500 175.163 1.337 25195 6704 1 11 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.363 0.437 25195 6705 1 11 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.150 1.250 25195 6706 1 11 . 1 1 15 15 GLN H H 15 8.360 8.360 8.527 -0.167 25195 6707 1 11 . 1 1 16 16 THR N N 16 114.900 114.900 111.948 2.952 25195 6708 1 11 . 1 1 16 16 THR HA H 16 4.360 4.360 4.333 0.027 25195 6709 1 11 . 1 1 16 16 THR C C 16 174.600 174.600 173.662 0.938 25195 6710 1 11 . 1 1 16 16 THR CA C 16 61.900 61.900 60.957 0.943 25195 6711 1 11 . 1 1 16 16 THR CB C 16 69.800 69.800 69.992 -0.192 25195 6712 1 11 . 1 1 16 16 THR H H 16 8.190 8.190 7.836 0.354 25195 6713 1 11 . 1 1 17 17 GLN N N 17 122.100 122.100 121.520 0.580 25195 6714 1 11 . 1 1 17 17 GLN C C 17 176.100 176.100 175.539 0.561 25195 6715 1 11 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.870 -1.170 25195 6716 1 11 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.801 0.899 25195 6717 1 11 . 1 1 17 17 GLN H H 17 8.440 8.440 8.507 -0.067 25195 6718 1 11 . 1 1 18 18 GLY N N 18 110.100 110.100 113.158 -3.058 25195 6719 1 11 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.688 0.012 25195 6720 1 11 . 1 1 18 18 GLY H H 18 8.370 8.370 8.302 0.068 25195 6721 1 11 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.489 -0.049 25195 6722 1 11 . 1 1 19 19 PRO C C 19 177.700 177.700 177.491 0.209 25195 6723 1 11 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.517 1.183 25195 6724 1 11 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.092 0.308 25195 6725 1 11 . 1 1 20 20 GLY N N 20 109.200 109.200 107.307 1.893 25195 6726 1 11 . 1 1 20 20 GLY C C 20 174.400 174.400 175.158 -0.758 25195 6727 1 11 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.790 0.610 25195 6728 1 11 . 1 1 20 20 GLY H H 20 8.620 8.620 8.007 0.613 25195 6729 1 11 . 1 1 21 21 SER N N 21 115.000 115.000 116.532 -1.532 25195 6730 1 11 . 1 1 21 21 SER HA H 21 4.420 4.420 4.537 -0.117 25195 6731 1 11 . 1 1 21 21 SER C C 21 174.600 174.600 174.613 -0.013 25195 6732 1 11 . 1 1 21 21 SER CA C 21 58.600 58.600 57.617 0.983 25195 6733 1 11 . 1 1 21 21 SER CB C 21 64.100 64.100 63.569 0.531 25195 6734 1 11 . 1 1 21 21 SER H H 21 8.180 8.180 8.539 -0.359 25195 6735 1 11 . 1 1 22 22 MET N N 22 121.500 121.500 120.030 1.470 25195 6736 1 11 . 1 1 22 22 MET HA H 22 4.440 4.440 4.420 0.020 25195 6737 1 11 . 1 1 22 22 MET C C 22 175.100 175.100 175.751 -0.651 25195 6738 1 11 . 1 1 22 22 MET CA C 22 55.600 55.600 56.640 -1.040 25195 6739 1 11 . 1 1 22 22 MET CB C 22 33.600 33.600 33.013 0.587 25195 6740 1 11 . 1 1 22 22 MET H H 22 8.340 8.340 7.589 0.751 25195 6741 1 11 . 1 1 23 23 ASP N N 23 123.000 123.000 122.135 0.865 25195 6742 1 11 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.815 -0.205 25195 6743 1 11 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.871 0.929 25195 6744 1 11 . 1 1 23 23 ASP CB C 23 41.700 41.700 42.068 -0.368 25195 6745 1 11 . 1 1 23 23 ASP H H 23 8.170 8.170 8.697 -0.527 25195 6746 1 11 . 1 1 24 24 VAL N N 24 123.200 123.200 117.260 5.940 25195 6747 1 11 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.722 0.318 25195 6748 1 11 . 1 1 24 24 VAL C C 24 174.900 174.900 174.510 0.390 25195 6749 1 11 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.375 0.525 25195 6750 1 11 . 1 1 24 24 VAL CB C 24 35.100 35.100 33.783 1.317 25195 6751 1 11 . 1 1 24 24 VAL H H 24 8.210 8.210 7.647 0.563 25195 6752 1 11 . 1 1 25 25 THR N N 25 124.200 124.200 122.817 1.383 25195 6753 1 11 . 1 1 25 25 THR HA H 25 5.310 5.310 4.765 0.545 25195 6754 1 11 . 1 1 25 25 THR C C 25 172.300 172.300 173.303 -1.003 25195 6755 1 11 . 1 1 25 25 THR CA C 25 61.800 61.800 60.826 0.974 25195 6756 1 11 . 1 1 25 25 THR CB C 25 71.600 71.600 70.145 1.455 25195 6757 1 11 . 1 1 25 25 THR H H 25 9.170 9.170 8.558 0.612 25195 6758 1 11 . 1 1 26 26 ILE N N 26 122.500 122.500 123.414 -0.914 25195 6759 1 11 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.703 0.567 25195 6760 1 11 . 1 1 26 26 ILE C C 26 172.200 172.200 174.151 -1.951 25195 6761 1 11 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.353 -0.653 25195 6762 1 11 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.771 1.529 25195 6763 1 11 . 1 1 26 26 ILE H H 26 8.910 8.910 8.735 0.175 25195 6764 1 11 . 1 1 27 27 TYR N N 27 129.400 129.400 122.019 7.381 25195 6765 1 11 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.488 -0.308 25195 6766 1 11 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.354 2.146 25195 6767 1 11 . 1 1 27 27 TYR CB C 27 37.100 37.100 40.100 -3.000 25195 6768 1 11 . 1 1 27 27 TYR H H 27 9.090 9.090 9.003 0.087 25195 6769 1 11 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.145 3.555 25195 6770 1 11 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.320 0.530 25195 6771 1 11 . 1 1 30 30 PRO C C 30 177.000 177.000 175.419 1.581 25195 6772 1 11 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.837 1.363 25195 6773 1 11 . 1 1 30 30 PRO CB C 30 32.700 32.700 31.612 1.088 25195 6774 1 11 . 1 1 31 31 VAL N N 31 112.100 112.100 119.458 -7.358 25195 6775 1 11 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.451 -0.291 25195 6776 1 11 . 1 1 31 31 VAL C C 31 175.000 175.000 175.429 -0.429 25195 6777 1 11 . 1 1 31 31 VAL CA C 31 62.000 62.000 58.534 3.466 25195 6778 1 11 . 1 1 31 31 VAL CB C 31 31.500 31.500 34.551 -3.051 25195 6779 1 11 . 1 1 31 31 VAL H H 31 7.290 7.290 7.997 -0.707 25195 6780 1 11 . 1 1 32 32 CYS N N 32 126.100 126.100 123.342 2.758 25195 6781 1 11 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.310 0.050 25195 6782 1 11 . 1 1 32 32 CYS CA C 32 59.300 59.300 59.914 -0.614 25195 6783 1 11 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.498 3.702 25195 6784 1 11 . 1 1 32 32 CYS H H 32 7.780 7.780 8.870 -1.090 25195 6785 1 11 . 1 1 33 33 GLY C C 33 177.400 177.400 175.745 1.655 25195 6786 1 11 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.367 1.333 25195 6787 1 11 . 1 1 34 34 THR N N 34 123.700 123.700 117.737 5.963 25195 6788 1 11 . 1 1 34 34 THR HA H 34 4.250 4.250 3.824 0.426 25195 6789 1 11 . 1 1 34 34 THR C C 34 175.600 175.600 176.366 -0.766 25195 6790 1 11 . 1 1 34 34 THR CA C 34 67.600 67.600 66.485 1.115 25195 6791 1 11 . 1 1 34 34 THR CB C 34 68.700 68.700 68.617 0.083 25195 6792 1 11 . 1 1 34 34 THR H H 34 9.110 9.110 7.817 1.293 25195 6793 1 11 . 1 1 35 35 SER N N 35 123.600 123.600 117.096 6.504 25195 6794 1 11 . 1 1 35 35 SER C C 35 177.900 177.900 176.513 1.387 25195 6795 1 11 . 1 1 35 35 SER CA C 35 63.800 63.800 61.994 1.806 25195 6796 1 11 . 1 1 35 35 SER CB C 35 63.800 63.800 63.037 0.763 25195 6797 1 11 . 1 1 35 35 SER H H 35 9.530 9.530 8.228 1.302 25195 6798 1 11 . 1 1 36 36 ARG N N 36 113.400 113.400 120.539 -7.139 25195 6799 1 11 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.123 -0.123 25195 6800 1 11 . 1 1 36 36 ARG C C 36 179.200 179.200 178.834 0.366 25195 6801 1 11 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.462 2.838 25195 6802 1 11 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.735 1.565 25195 6803 1 11 . 1 1 36 36 ARG H H 36 8.740 8.740 8.272 0.468 25195 6804 1 11 . 1 1 37 37 LYS N N 37 121.900 121.900 120.821 1.079 25195 6805 1 11 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.164 -0.024 25195 6806 1 11 . 1 1 37 37 LYS C C 37 179.400 179.400 178.794 0.606 25195 6807 1 11 . 1 1 37 37 LYS CA C 37 59.700 59.700 58.999 0.701 25195 6808 1 11 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.027 0.573 25195 6809 1 11 . 1 1 37 37 LYS H H 37 7.980 7.980 7.946 0.034 25195 6810 1 11 . 1 1 38 38 VAL N N 38 120.900 120.900 117.699 3.201 25195 6811 1 11 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.616 0.004 25195 6812 1 11 . 1 1 38 38 VAL C C 38 177.300 177.300 177.731 -0.431 25195 6813 1 11 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.396 0.904 25195 6814 1 11 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.515 0.385 25195 6815 1 11 . 1 1 38 38 VAL H H 38 8.670 8.670 7.938 0.732 25195 6816 1 11 . 1 1 39 39 LEU N N 39 120.200 120.200 120.262 -0.062 25195 6817 1 11 . 1 1 39 39 LEU C C 39 178.300 178.300 179.498 -1.198 25195 6818 1 11 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.528 1.072 25195 6819 1 11 . 1 1 39 39 LEU CB C 39 41.600 41.600 40.369 1.231 25195 6820 1 11 . 1 1 39 39 LEU H H 39 8.300 8.300 8.350 -0.050 25195 6821 1 11 . 1 1 40 40 GLY N N 40 103.600 103.600 108.064 -4.464 25195 6822 1 11 . 1 1 40 40 GLY C C 40 176.600 176.600 176.536 0.064 25195 6823 1 11 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.218 0.182 25195 6824 1 11 . 1 1 40 40 GLY H H 40 8.050 8.050 8.052 -0.002 25195 6825 1 11 . 1 1 41 41 MET N N 41 122.300 122.300 121.347 0.953 25195 6826 1 11 . 1 1 41 41 MET HA H 41 4.030 4.030 4.163 -0.133 25195 6827 1 11 . 1 1 41 41 MET C C 41 179.200 179.200 178.828 0.372 25195 6828 1 11 . 1 1 41 41 MET CA C 41 59.900 59.900 57.933 1.967 25195 6829 1 11 . 1 1 41 41 MET CB C 41 33.600 33.600 31.949 1.651 25195 6830 1 11 . 1 1 41 41 MET H H 41 8.310 8.310 7.940 0.370 25195 6831 1 11 . 1 1 42 42 ILE N N 42 120.600 120.600 120.109 0.491 25195 6832 1 11 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.573 -0.033 25195 6833 1 11 . 1 1 42 42 ILE C C 42 177.600 177.600 178.074 -0.474 25195 6834 1 11 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.362 0.838 25195 6835 1 11 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.393 1.707 25195 6836 1 11 . 1 1 42 42 ILE H H 42 8.260 8.260 8.178 0.082 25195 6837 1 11 . 1 1 43 43 ARG N N 43 117.200 117.200 119.469 -2.269 25195 6838 1 11 . 1 1 43 43 ARG C C 43 182.100 182.100 179.157 2.943 25195 6839 1 11 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.593 -0.493 25195 6840 1 11 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.123 -0.723 25195 6841 1 11 . 1 1 43 43 ARG H H 43 7.810 7.810 8.304 -0.494 25195 6842 1 11 . 1 1 44 44 GLU N N 44 122.200 122.200 118.435 3.765 25195 6843 1 11 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.134 -0.084 25195 6844 1 11 . 1 1 44 44 GLU C C 44 177.600 177.600 178.402 -0.802 25195 6845 1 11 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.684 0.416 25195 6846 1 11 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.252 0.248 25195 6847 1 11 . 1 1 44 44 GLU H H 44 8.670 8.670 7.901 0.769 25195 6848 1 11 . 1 1 45 45 ALA N N 45 120.400 120.400 120.068 0.332 25195 6849 1 11 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.264 0.156 25195 6850 1 11 . 1 1 45 45 ALA C C 45 177.300 177.300 178.109 -0.809 25195 6851 1 11 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.484 0.016 25195 6852 1 11 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.585 -1.185 25195 6853 1 11 . 1 1 45 45 ALA H H 45 7.430 7.430 7.803 -0.373 25195 6854 1 11 . 1 1 46 46 GLY N N 46 106.000 106.000 106.788 -0.788 25195 6855 1 11 . 1 1 46 46 GLY C C 46 173.800 173.800 173.883 -0.083 25195 6856 1 11 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.916 0.384 25195 6857 1 11 . 1 1 46 46 GLY H H 46 8.080 8.080 7.858 0.222 25195 6858 1 11 . 1 1 47 47 ILE N N 47 121.500 121.500 120.229 1.271 25195 6859 1 11 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.294 -0.194 25195 6860 1 11 . 1 1 47 47 ILE C C 47 174.100 174.100 174.799 -0.699 25195 6861 1 11 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.832 0.868 25195 6862 1 11 . 1 1 47 47 ILE CB C 47 41.100 41.100 39.764 1.337 25195 6863 1 11 . 1 1 47 47 ILE H H 47 7.180 7.180 7.662 -0.482 25195 6864 1 11 . 1 1 48 48 GLU N N 48 127.000 127.000 124.245 2.755 25195 6865 1 11 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.564 0.636 25195 6866 1 11 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.168 -0.868 25195 6867 1 11 . 1 1 48 48 GLU CB C 48 29.400 29.400 29.994 -0.594 25195 6868 1 11 . 1 1 48 48 GLU H H 48 8.440 8.440 8.435 0.005 25195 6869 1 11 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.556 0.084 25195 6870 1 11 . 1 1 49 49 PRO C C 49 175.200 175.200 176.056 -0.856 25195 6871 1 11 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.705 -0.805 25195 6872 1 11 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.644 0.056 25195 6873 1 11 . 1 1 50 50 HIS N N 50 119.000 119.000 125.471 -6.471 25195 6874 1 11 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.631 0.069 25195 6875 1 11 . 1 1 50 50 HIS C C 50 174.200 174.200 174.771 -0.571 25195 6876 1 11 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.644 0.756 25195 6877 1 11 . 1 1 50 50 HIS CB C 50 29.100 29.100 30.198 -1.097 25195 6878 1 11 . 1 1 50 50 HIS H H 50 9.160 9.160 8.516 0.644 25195 6879 1 11 . 1 1 51 51 VAL N N 51 128.400 128.400 125.111 3.289 25195 6880 1 11 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.359 -0.119 25195 6881 1 11 . 1 1 51 51 VAL C C 51 175.600 175.600 174.938 0.662 25195 6882 1 11 . 1 1 51 51 VAL CA C 51 62.200 62.200 61.984 0.216 25195 6883 1 11 . 1 1 51 51 VAL CB C 51 32.200 32.200 30.965 1.235 25195 6884 1 11 . 1 1 51 51 VAL H H 51 8.760 8.760 8.302 0.458 25195 6885 1 11 . 1 1 52 52 ILE N N 52 129.400 129.400 128.125 1.275 25195 6886 1 11 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.475 -0.255 25195 6887 1 11 . 1 1 52 52 ILE C C 52 176.500 176.500 174.715 1.785 25195 6888 1 11 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.850 -0.550 25195 6889 1 11 . 1 1 52 52 ILE CB C 52 38.200 38.200 41.167 -2.967 25195 6890 1 11 . 1 1 52 52 ILE H H 52 9.000 9.000 8.596 0.404 25195 6891 1 11 . 1 1 53 53 GLU N N 53 129.900 129.900 127.204 2.696 25195 6892 1 11 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.601 0.529 25195 6893 1 11 . 1 1 53 53 GLU C C 53 174.200 174.200 175.138 -0.938 25195 6894 1 11 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.440 0.460 25195 6895 1 11 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.634 -1.334 25195 6896 1 11 . 1 1 53 53 GLU H H 53 9.180 9.180 8.697 0.483 25195 6897 1 11 . 1 1 54 54 TYR N N 54 124.200 124.200 125.562 -1.362 25195 6898 1 11 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.668 0.532 25195 6899 1 11 . 1 1 54 54 TYR C C 54 174.200 174.200 175.574 -1.374 25195 6900 1 11 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.429 -3.329 25195 6901 1 11 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.194 -2.194 25195 6902 1 11 . 1 1 54 54 TYR H H 54 8.460 8.460 8.448 0.012 25195 6903 1 11 . 1 1 55 55 MET N N 55 121.900 121.900 123.981 -2.081 25195 6904 1 11 . 1 1 55 55 MET H H 55 7.660 7.660 7.486 0.174 25195 6905 1 11 . 1 1 56 56 LYS C C 56 176.700 176.700 175.630 1.070 25195 6906 1 11 . 1 1 56 56 LYS CA C 56 56.900 56.900 58.035 -1.135 25195 6907 1 11 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.033 -3.833 25195 6908 1 11 . 1 1 57 57 THR N N 57 114.700 114.700 113.676 1.024 25195 6909 1 11 . 1 1 57 57 THR HA H 57 4.720 4.720 4.580 0.140 25195 6910 1 11 . 1 1 57 57 THR CB C 57 70.500 70.500 69.049 1.451 25195 6911 1 11 . 1 1 57 57 THR H H 57 7.940 7.940 8.074 -0.134 25195 6912 1 11 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.594 0.106 25195 6913 1 11 . 1 1 58 58 PRO C C 58 177.400 177.400 175.857 1.543 25195 6914 1 11 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.216 -0.416 25195 6915 1 11 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.727 -0.127 25195 6916 1 11 . 1 1 59 59 LEU N N 59 125.300 125.300 123.669 1.631 25195 6917 1 11 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.814 -0.234 25195 6918 1 11 . 1 1 59 59 LEU CB C 59 42.300 42.300 42.653 -0.353 25195 6919 1 11 . 1 1 59 59 LEU H H 59 8.760 8.760 7.985 0.775 25195 6920 1 11 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.720 -0.210 25195 6921 1 11 . 1 1 60 60 PRO C C 60 178.400 178.400 177.641 0.759 25195 6922 1 11 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.183 -0.083 25195 6923 1 11 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.687 -0.387 25195 6924 1 11 . 1 1 61 61 ARG N N 61 125.800 125.800 120.884 4.916 25195 6925 1 11 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.857 -0.157 25195 6926 1 11 . 1 1 61 61 ARG C C 61 177.800 177.800 177.726 0.074 25195 6927 1 11 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.946 0.854 25195 6928 1 11 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.415 0.985 25195 6929 1 11 . 1 1 61 61 ARG H H 61 8.980 8.980 8.756 0.224 25195 6930 1 11 . 1 1 62 62 ASP N N 62 113.300 113.300 119.793 -6.493 25195 6931 1 11 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.402 -0.162 25195 6932 1 11 . 1 1 62 62 ASP C C 62 179.100 179.100 178.512 0.588 25195 6933 1 11 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.046 -0.046 25195 6934 1 11 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.288 -0.587 25195 6935 1 11 . 1 1 62 62 ASP H H 62 8.820 8.820 8.699 0.121 25195 6936 1 11 . 1 1 63 63 MET N N 63 118.800 118.800 118.041 0.759 25195 6937 1 11 . 1 1 63 63 MET HA H 63 4.460 4.460 4.259 0.201 25195 6938 1 11 . 1 1 63 63 MET C C 63 177.700 177.700 178.657 -0.957 25195 6939 1 11 . 1 1 63 63 MET CA C 63 57.200 57.200 57.380 -0.180 25195 6940 1 11 . 1 1 63 63 MET CB C 63 32.500 32.500 32.105 0.395 25195 6941 1 11 . 1 1 63 63 MET H H 63 7.340 7.340 7.364 -0.024 25195 6942 1 11 . 1 1 64 64 LEU N N 64 121.000 121.000 121.545 -0.545 25195 6943 1 11 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.096 -0.136 25195 6944 1 11 . 1 1 64 64 LEU C C 64 178.000 178.000 178.733 -0.733 25195 6945 1 11 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.257 0.043 25195 6946 1 11 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.971 -0.571 25195 6947 1 11 . 1 1 64 64 LEU H H 64 7.570 7.570 8.072 -0.502 25195 6948 1 11 . 1 1 65 65 VAL N N 65 117.200 117.200 119.453 -2.253 25195 6949 1 11 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.590 -0.160 25195 6950 1 11 . 1 1 65 65 VAL C C 65 178.500 178.500 177.393 1.107 25195 6951 1 11 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.766 0.834 25195 6952 1 11 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.809 0.191 25195 6953 1 11 . 1 1 65 65 VAL H H 65 8.250 8.250 8.528 -0.278 25195 6954 1 11 . 1 1 66 66 GLU N N 66 120.200 120.200 119.922 0.278 25195 6955 1 11 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.087 0.253 25195 6956 1 11 . 1 1 66 66 GLU C C 66 178.500 178.500 179.085 -0.585 25195 6957 1 11 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.418 -0.718 25195 6958 1 11 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.631 -0.431 25195 6959 1 11 . 1 1 66 66 GLU H H 66 7.510 7.510 7.967 -0.457 25195 6960 1 11 . 1 1 67 67 LEU N N 67 121.100 121.100 119.510 1.590 25195 6961 1 11 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.086 -0.096 25195 6962 1 11 . 1 1 67 67 LEU C C 67 179.400 179.400 178.969 0.431 25195 6963 1 11 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.815 0.585 25195 6964 1 11 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.304 -0.504 25195 6965 1 11 . 1 1 67 67 LEU H H 67 8.480 8.480 7.879 0.601 25195 6966 1 11 . 1 1 68 68 LEU N N 68 118.500 118.500 117.668 0.832 25195 6967 1 11 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.216 -0.436 25195 6968 1 11 . 1 1 68 68 LEU C C 68 179.100 179.100 178.114 0.986 25195 6969 1 11 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.017 0.683 25195 6970 1 11 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.417 -0.017 25195 6971 1 11 . 1 1 68 68 LEU H H 68 8.250 8.250 8.430 -0.180 25195 6972 1 11 . 1 1 69 69 ARG N N 69 119.200 119.200 118.167 1.033 25195 6973 1 11 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.285 -0.235 25195 6974 1 11 . 1 1 69 69 ARG C C 69 180.400 180.400 178.128 2.272 25195 6975 1 11 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.245 1.255 25195 6976 1 11 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.013 0.087 25195 6977 1 11 . 1 1 69 69 ARG H H 69 7.950 7.950 8.147 -0.197 25195 6978 1 11 . 1 1 70 70 GLN N N 70 118.500 118.500 117.333 1.167 25195 6979 1 11 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.156 -0.126 25195 6980 1 11 . 1 1 70 70 GLN C C 70 179.900 179.900 177.916 1.984 25195 6981 1 11 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.680 1.220 25195 6982 1 11 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.475 0.925 25195 6983 1 11 . 1 1 70 70 GLN H H 70 8.450 8.450 7.796 0.654 25195 6984 1 11 . 1 1 71 71 MET N N 71 117.500 117.500 119.422 -1.922 25195 6985 1 11 . 1 1 71 71 MET HA H 71 4.140 4.140 4.125 0.015 25195 6986 1 11 . 1 1 71 71 MET C C 71 175.200 175.200 176.662 -1.462 25195 6987 1 11 . 1 1 71 71 MET CA C 71 58.200 58.200 57.974 0.226 25195 6988 1 11 . 1 1 71 71 MET CB C 71 36.200 36.200 33.130 3.070 25195 6989 1 11 . 1 1 71 71 MET H H 71 8.380 8.380 7.825 0.555 25195 6990 1 11 . 1 1 72 72 ALA N N 72 120.400 120.400 117.559 2.841 25195 6991 1 11 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.460 -0.430 25195 6992 1 11 . 1 1 72 72 ALA C C 72 176.600 176.600 176.866 -0.266 25195 6993 1 11 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.243 0.556 25195 6994 1 11 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.265 -4.765 25195 6995 1 11 . 1 1 72 72 ALA H H 72 8.100 8.100 7.634 0.466 25195 6996 1 11 . 1 1 73 73 ILE N N 73 108.600 108.600 115.623 -7.023 25195 6997 1 11 . 1 1 73 73 ILE C C 73 174.700 174.700 174.602 0.098 25195 6998 1 11 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.841 0.059 25195 6999 1 11 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.203 2.397 25195 7000 1 11 . 1 1 73 73 ILE H H 73 7.240 7.240 7.986 -0.746 25195 7001 1 11 . 1 1 74 74 SER N N 74 116.500 116.500 117.713 -1.213 25195 7002 1 11 . 1 1 74 74 SER HA H 74 4.780 4.780 4.493 0.287 25195 7003 1 11 . 1 1 74 74 SER CA C 74 55.900 55.900 58.570 -2.670 25195 7004 1 11 . 1 1 74 74 SER CB C 74 63.500 63.500 63.298 0.202 25195 7005 1 11 . 1 1 74 74 SER H H 74 8.290 8.290 8.561 -0.271 25195 7006 1 11 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.357 0.403 25195 7007 1 11 . 1 1 75 75 PRO C C 75 178.200 178.200 177.888 0.312 25195 7008 1 11 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.314 1.286 25195 7009 1 11 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.815 0.285 25195 7010 1 11 . 1 1 76 76 ARG N N 76 114.400 114.400 118.215 -3.815 25195 7011 1 11 . 1 1 76 76 ARG C C 76 178.100 178.100 175.811 2.289 25195 7012 1 11 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.774 1.226 25195 7013 1 11 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.413 -0.013 25195 7014 1 11 . 1 1 76 76 ARG H H 76 8.340 8.340 8.497 -0.157 25195 7015 1 11 . 1 1 77 77 ALA N N 77 119.400 119.400 120.181 -0.781 25195 7016 1 11 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.657 -0.427 25195 7017 1 11 . 1 1 77 77 ALA C C 77 178.100 178.100 176.257 1.843 25195 7018 1 11 . 1 1 77 77 ALA CA C 77 53.800 53.800 50.883 2.917 25195 7019 1 11 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.974 -0.374 25195 7020 1 11 . 1 1 77 77 ALA H H 77 7.720 7.720 7.580 0.140 25195 7021 1 11 . 1 1 78 78 LEU N N 78 119.400 119.400 119.410 -0.010 25195 7022 1 11 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.589 -0.209 25195 7023 1 11 . 1 1 78 78 LEU C C 78 174.800 174.800 175.925 -1.125 25195 7024 1 11 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.684 -2.784 25195 7025 1 11 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.992 0.108 25195 7026 1 11 . 1 1 78 78 LEU H H 78 7.610 7.610 7.232 0.378 25195 7027 1 11 . 1 1 79 79 LEU N N 79 118.700 118.700 121.654 -2.954 25195 7028 1 11 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.935 0.715 25195 7029 1 11 . 1 1 79 79 LEU C C 79 178.900 178.900 177.028 1.872 25195 7030 1 11 . 1 1 79 79 LEU CA C 79 55.100 55.100 55.172 -0.072 25195 7031 1 11 . 1 1 79 79 LEU CB C 79 44.600 44.600 38.891 5.709 25195 7032 1 11 . 1 1 79 79 LEU H H 79 7.220 7.220 7.610 -0.390 25195 7033 1 11 . 1 1 80 80 ARG N N 80 124.000 124.000 125.541 -1.541 25195 7034 1 11 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.068 0.152 25195 7035 1 11 . 1 1 80 80 ARG C C 80 174.800 174.800 176.996 -2.196 25195 7036 1 11 . 1 1 80 80 ARG CA C 80 56.200 56.200 57.101 -0.901 25195 7037 1 11 . 1 1 80 80 ARG CB C 80 30.700 30.700 31.222 -0.522 25195 7038 1 11 . 1 1 80 80 ARG H H 80 8.780 8.780 7.823 0.957 25195 7039 1 11 . 1 1 81 81 ALA N N 81 124.400 124.400 123.571 0.829 25195 7040 1 11 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.223 -1.733 25195 7041 1 11 . 1 1 81 81 ALA C C 81 177.600 177.600 178.590 -0.990 25195 7042 1 11 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.690 -1.990 25195 7043 1 11 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.041 -0.441 25195 7044 1 11 . 1 1 81 81 ALA H H 81 7.420 7.420 8.460 -1.040 25195 7045 1 11 . 1 1 82 82 LYS N N 82 114.500 114.500 117.595 -3.095 25195 7046 1 11 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.027 0.223 25195 7047 1 11 . 1 1 82 82 LYS C C 82 177.700 177.700 178.333 -0.633 25195 7048 1 11 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.328 -2.528 25195 7049 1 11 . 1 1 82 82 LYS CB C 82 31.400 31.400 31.891 -0.491 25195 7050 1 11 . 1 1 82 82 LYS H H 82 8.190 8.190 8.493 -0.303 25195 7051 1 11 . 1 1 83 83 GLU N N 83 118.700 118.700 118.578 0.122 25195 7052 1 11 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.352 -0.152 25195 7053 1 11 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.788 0.012 25195 7054 1 11 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.445 1.855 25195 7055 1 11 . 1 1 83 83 GLU H H 83 7.120 7.120 7.963 -0.843 25195 7056 1 11 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.889 0.321 25195 7057 1 11 . 1 1 84 84 ALA C C 84 180.900 180.900 179.119 1.781 25195 7058 1 11 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.741 -0.041 25195 7059 1 11 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.942 -1.142 25195 7060 1 11 . 1 1 85 85 ARG N N 85 115.800 115.800 119.007 -3.207 25195 7061 1 11 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.965 0.095 25195 7062 1 11 . 1 1 85 85 ARG C C 85 178.200 178.200 177.927 0.273 25195 7063 1 11 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.963 -2.063 25195 7064 1 11 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.759 0.141 25195 7065 1 11 . 1 1 85 85 ARG H H 85 9.280 9.280 8.116 1.164 25195 7066 1 11 . 1 1 86 86 TYR N N 86 118.300 118.300 119.923 -1.623 25195 7067 1 11 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.060 -0.220 25195 7068 1 11 . 1 1 86 86 TYR C C 86 176.500 176.500 176.789 -0.289 25195 7069 1 11 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.454 -0.254 25195 7070 1 11 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.834 0.366 25195 7071 1 11 . 1 1 86 86 TYR H H 86 7.270 7.270 8.662 -1.392 25195 7072 1 11 . 1 1 87 87 ALA N N 87 120.500 120.500 119.676 0.824 25195 7073 1 11 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.592 0.748 25195 7074 1 11 . 1 1 87 87 ALA C C 87 181.900 181.900 180.304 1.596 25195 7075 1 11 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.952 0.448 25195 7076 1 11 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.921 0.479 25195 7077 1 11 . 1 1 87 87 ALA H H 87 7.110 7.110 7.701 -0.591 25195 7078 1 11 . 1 1 88 88 GLU N N 88 119.500 119.500 120.112 -0.612 25195 7079 1 11 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.013 -0.033 25195 7080 1 11 . 1 1 88 88 GLU C C 88 178.800 178.800 178.473 0.327 25195 7081 1 11 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.828 0.472 25195 7082 1 11 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.561 0.939 25195 7083 1 11 . 1 1 88 88 GLU H H 88 8.240 8.240 8.042 0.198 25195 7084 1 11 . 1 1 89 89 LEU N N 89 115.100 115.100 117.214 -2.114 25195 7085 1 11 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.209 0.071 25195 7086 1 11 . 1 1 89 89 LEU C C 89 176.900 176.900 177.394 -0.494 25195 7087 1 11 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.546 -1.046 25195 7088 1 11 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.346 0.454 25195 7089 1 11 . 1 1 89 89 LEU H H 89 7.430 7.430 7.910 -0.480 25195 7090 1 11 . 1 1 90 90 GLY N N 90 108.200 108.200 105.977 2.223 25195 7091 1 11 . 1 1 90 90 GLY C C 90 176.900 176.900 175.825 1.075 25195 7092 1 11 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.576 1.424 25195 7093 1 11 . 1 1 90 90 GLY H H 90 7.690 7.690 7.673 0.017 25195 7094 1 11 . 1 1 91 91 LEU N N 91 113.000 113.000 119.725 -6.725 25195 7095 1 11 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.019 -0.249 25195 7096 1 11 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.397 -1.697 25195 7097 1 11 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.182 -1.882 25195 7098 1 11 . 1 1 91 91 LEU H H 91 7.000 7.000 7.379 -0.379 25195 7099 1 11 . 1 1 92 92 ASP N N 92 117.000 117.000 113.654 3.346 25195 7100 1 11 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.449 -0.009 25195 7101 1 11 . 1 1 92 92 ASP C C 92 175.400 175.400 176.439 -1.039 25195 7102 1 11 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.813 -0.013 25195 7103 1 11 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.178 0.522 25195 7104 1 11 . 1 1 92 92 ASP H H 92 8.510 8.510 7.764 0.746 25195 7105 1 11 . 1 1 93 93 ASP N N 93 120.600 120.600 121.487 -0.887 25195 7106 1 11 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.614 -0.034 25195 7107 1 11 . 1 1 93 93 ASP C C 93 176.000 176.000 176.915 -0.915 25195 7108 1 11 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.469 -1.369 25195 7109 1 11 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.764 0.736 25195 7110 1 11 . 1 1 93 93 ASP H H 93 7.000 7.000 7.723 -0.723 25195 7111 1 11 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.290 0.010 25195 7112 1 11 . 1 1 94 94 PRO C C 94 178.100 178.100 177.507 0.593 25195 7113 1 11 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.090 -0.290 25195 7114 1 11 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.856 0.344 25195 7115 1 11 . 1 1 95 95 ALA N N 95 121.900 121.900 120.181 1.719 25195 7116 1 11 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.292 -0.022 25195 7117 1 11 . 1 1 95 95 ALA C C 95 178.400 178.400 177.472 0.928 25195 7118 1 11 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.406 0.094 25195 7119 1 11 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.647 0.553 25195 7120 1 11 . 1 1 95 95 ALA H H 95 8.610 8.610 8.073 0.537 25195 7121 1 11 . 1 1 96 96 LEU N N 96 117.600 117.600 119.001 -1.401 25195 7122 1 11 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.321 -0.151 25195 7123 1 11 . 1 1 96 96 LEU C C 96 177.600 177.600 176.636 0.964 25195 7124 1 11 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.233 0.267 25195 7125 1 11 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.860 -0.460 25195 7126 1 11 . 1 1 96 96 LEU H H 96 7.010 7.010 7.403 -0.393 25195 7127 1 11 . 1 1 97 97 SER N N 97 119.200 119.200 112.549 6.651 25195 7128 1 11 . 1 1 97 97 SER HA H 97 4.360 4.360 4.685 -0.325 25195 7129 1 11 . 1 1 97 97 SER C C 97 174.400 174.400 174.310 0.090 25195 7130 1 11 . 1 1 97 97 SER CA C 97 57.300 57.300 56.864 0.436 25195 7131 1 11 . 1 1 97 97 SER CB C 97 64.900 64.900 65.827 -0.927 25195 7132 1 11 . 1 1 97 97 SER H H 97 8.620 8.620 8.107 0.513 25195 7133 1 11 . 1 1 98 98 ASP N N 98 122.000 122.000 123.337 -1.337 25195 7134 1 11 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.331 -0.061 25195 7135 1 11 . 1 1 98 98 ASP C C 98 178.100 178.100 178.303 -0.203 25195 7136 1 11 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.321 0.479 25195 7137 1 11 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.697 -0.597 25195 7138 1 11 . 1 1 98 98 ASP H H 98 9.050 9.050 8.835 0.215 25195 7139 1 11 . 1 1 99 99 GLU N N 99 116.100 116.100 120.646 -4.546 25195 7140 1 11 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.103 -0.313 25195 7141 1 11 . 1 1 99 99 GLU C C 99 176.800 176.800 178.981 -2.181 25195 7142 1 11 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.517 0.383 25195 7143 1 11 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.121 0.079 25195 7144 1 11 . 1 1 99 99 GLU H H 99 8.250 8.250 8.740 -0.490 25195 7145 1 11 . 1 1 100 100 VAL N N 100 118.000 118.000 115.539 2.461 25195 7146 1 11 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.765 0.045 25195 7147 1 11 . 1 1 100 100 VAL C C 100 179.200 179.200 178.124 1.076 25195 7148 1 11 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.480 0.120 25195 7149 1 11 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.418 -0.018 25195 7150 1 11 . 1 1 100 100 VAL H H 100 7.290 7.290 7.511 -0.221 25195 7151 1 11 . 1 1 101 101 LEU N N 101 120.100 120.100 120.891 -0.791 25195 7152 1 11 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.039 -0.089 25195 7153 1 11 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.936 0.164 25195 7154 1 11 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.775 0.725 25195 7155 1 11 . 1 1 101 101 LEU H H 101 7.610 7.610 7.857 -0.247 25195 7156 1 11 . 1 1 102 102 ILE N N 102 118.900 118.900 119.990 -1.090 25195 7157 1 11 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.542 -0.122 25195 7158 1 11 . 1 1 102 102 ILE C C 102 177.700 177.700 177.613 0.087 25195 7159 1 11 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.473 -0.073 25195 7160 1 11 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.605 0.895 25195 7161 1 11 . 1 1 102 102 ILE H H 102 8.260 8.260 8.609 -0.349 25195 7162 1 11 . 1 1 103 103 ASP N N 103 118.000 118.000 119.999 -1.999 25195 7163 1 11 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.244 0.076 25195 7164 1 11 . 1 1 103 103 ASP C C 103 179.400 179.400 178.121 1.279 25195 7165 1 11 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.239 0.561 25195 7166 1 11 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.603 -0.503 25195 7167 1 11 . 1 1 103 103 ASP H H 103 8.080 8.080 8.025 0.055 25195 7168 1 11 . 1 1 104 104 ALA N N 104 121.500 121.500 121.559 -0.059 25195 7169 1 11 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.041 0.029 25195 7170 1 11 . 1 1 104 104 ALA C C 104 179.900 179.900 179.481 0.419 25195 7171 1 11 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.988 0.412 25195 7172 1 11 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.725 -1.025 25195 7173 1 11 . 1 1 104 104 ALA H H 104 8.210 8.210 7.846 0.364 25195 7174 1 11 . 1 1 105 105 MET N N 105 115.800 115.800 119.325 -3.525 25195 7175 1 11 . 1 1 105 105 MET HA H 105 3.940 3.940 4.184 -0.244 25195 7176 1 11 . 1 1 105 105 MET C C 105 176.700 176.700 178.467 -1.767 25195 7177 1 11 . 1 1 105 105 MET CA C 105 59.500 59.500 58.388 1.112 25195 7178 1 11 . 1 1 105 105 MET CB C 105 35.400 35.400 32.762 2.638 25195 7179 1 11 . 1 1 105 105 MET H H 105 7.520 7.520 7.749 -0.229 25195 7180 1 11 . 1 1 106 106 ILE N N 106 118.100 118.100 116.239 1.861 25195 7181 1 11 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.898 0.122 25195 7182 1 11 . 1 1 106 106 ILE C C 106 178.200 178.200 177.417 0.783 25195 7183 1 11 . 1 1 106 106 ILE CA C 106 62.000 62.000 62.858 -0.858 25195 7184 1 11 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.766 -0.066 25195 7185 1 11 . 1 1 106 106 ILE H H 106 7.730 7.730 8.553 -0.823 25195 7186 1 11 . 1 1 107 107 SER N N 107 112.400 112.400 113.404 -1.004 25195 7187 1 11 . 1 1 107 107 SER HA H 107 4.340 4.340 4.473 -0.133 25195 7188 1 11 . 1 1 107 107 SER C C 107 174.800 174.800 174.910 -0.110 25195 7189 1 11 . 1 1 107 107 SER CA C 107 60.400 60.400 59.209 1.191 25195 7190 1 11 . 1 1 107 107 SER CB C 107 64.000 64.000 64.251 -0.251 25195 7191 1 11 . 1 1 107 107 SER H H 107 8.160 8.160 7.445 0.715 25195 7192 1 11 . 1 1 108 108 ASN N N 108 116.400 116.400 120.467 -4.067 25195 7193 1 11 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.007 0.283 25195 7194 1 11 . 1 1 108 108 ASN CA C 108 51.100 51.100 51.894 -0.794 25195 7195 1 11 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.801 1.399 25195 7196 1 11 . 1 1 108 108 ASN H H 108 7.700 7.700 7.731 -0.031 25195 7197 1 11 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.332 0.438 25195 7198 1 11 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.846 0.954 25195 7199 1 11 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.846 0.354 25195 7200 1 11 . 1 1 110 110 VAL N N 110 119.100 119.100 117.021 2.079 25195 7201 1 11 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.821 0.229 25195 7202 1 11 . 1 1 110 110 VAL C C 110 175.200 175.200 176.208 -1.008 25195 7203 1 11 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.597 1.003 25195 7204 1 11 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.512 -0.311 25195 7205 1 11 . 1 1 110 110 VAL H H 110 8.280 8.280 7.869 0.411 25195 7206 1 11 . 1 1 111 111 LEU N N 111 115.200 115.200 114.089 1.111 25195 7207 1 11 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.554 -0.154 25195 7208 1 11 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.026 2.174 25195 7209 1 11 . 1 1 111 111 LEU H H 111 8.420 8.420 7.278 1.142 25195 7210 1 11 . 1 1 112 112 MET N N 112 118.900 118.900 120.012 -1.112 25195 7211 1 11 . 1 1 112 112 MET HA H 112 4.060 4.060 4.154 -0.094 25195 7212 1 11 . 1 1 112 112 MET CA C 112 56.500 56.500 56.959 -0.459 25195 7213 1 11 . 1 1 112 112 MET CB C 112 35.600 35.600 31.752 3.848 25195 7214 1 11 . 1 1 112 112 MET H H 112 7.940 7.940 7.611 0.330 25195 7215 1 11 . 1 1 113 113 ASN N N 113 125.800 125.800 121.556 4.244 25195 7216 1 11 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.706 -0.066 25195 7217 1 11 . 1 1 113 113 ASN C C 113 170.700 170.700 176.262 -5.562 25195 7218 1 11 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.742 -1.542 25195 7219 1 11 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.875 -1.975 25195 7220 1 11 . 1 1 113 113 ASN H H 113 9.140 9.140 8.248 0.892 25195 7221 1 11 . 1 1 114 114 ARG N N 114 113.200 113.200 120.883 -7.683 25195 7222 1 11 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.766 -4.966 25195 7223 1 11 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.026 1.774 25195 7224 1 11 . 1 1 114 114 ARG H H 114 7.970 7.970 8.325 -0.355 25195 7225 1 11 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.819 0.001 25195 7226 1 11 . 1 1 115 115 PRO C C 115 175.400 175.400 176.363 -0.963 25195 7227 1 11 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.666 -0.067 25195 7228 1 11 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.398 2.002 25195 7229 1 11 . 1 1 116 116 VAL N N 116 124.500 124.500 126.600 -2.100 25195 7230 1 11 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.357 0.723 25195 7231 1 11 . 1 1 116 116 VAL C C 116 174.500 174.500 174.216 0.284 25195 7232 1 11 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.428 1.072 25195 7233 1 11 . 1 1 116 116 VAL CB C 116 33.000 33.000 36.028 -3.028 25195 7234 1 11 . 1 1 116 116 VAL H H 116 7.840 7.840 8.882 -1.042 25195 7235 1 11 . 1 1 117 117 VAL N N 117 128.000 128.000 125.356 2.644 25195 7236 1 11 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.411 0.369 25195 7237 1 11 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.806 0.194 25195 7238 1 11 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.684 0.116 25195 7239 1 11 . 1 1 117 117 VAL H H 117 8.670 8.670 8.973 -0.303 25195 7240 1 11 . 1 1 118 118 VAL N N 118 125.700 125.700 129.123 -3.423 25195 7241 1 11 . 1 1 118 118 VAL C C 118 175.700 175.700 174.537 1.163 25195 7242 1 11 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.355 -0.155 25195 7243 1 11 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.649 2.351 25195 7244 1 11 . 1 1 118 118 VAL H H 118 9.110 9.110 9.235 -0.125 25195 7245 1 11 . 1 1 119 119 THR N N 119 118.500 118.500 118.000 0.500 25195 7246 1 11 . 1 1 119 119 THR HA H 119 5.490 5.490 5.022 0.468 25195 7247 1 11 . 1 1 119 119 THR CA C 119 58.800 58.800 58.225 0.575 25195 7248 1 11 . 1 1 119 119 THR CB C 119 69.800 69.800 70.457 -0.657 25195 7249 1 11 . 1 1 119 119 THR H H 119 9.370 9.370 8.857 0.513 25195 7250 1 11 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.535 -0.055 25195 7251 1 11 . 1 1 120 120 PRO C C 120 177.800 177.800 176.783 1.017 25195 7252 1 11 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.311 0.788 25195 7253 1 11 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.556 0.744 25195 7254 1 11 . 1 1 121 121 LYS N N 121 113.600 113.600 116.805 -3.205 25195 7255 1 11 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.470 -0.210 25195 7256 1 11 . 1 1 121 121 LYS C C 121 176.400 176.400 176.322 0.078 25195 7257 1 11 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.979 1.221 25195 7258 1 11 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.690 0.110 25195 7259 1 11 . 1 1 121 121 LYS H H 121 8.360 8.360 7.762 0.598 25195 7260 1 11 . 1 1 122 122 GLY N N 122 108.400 108.400 107.695 0.705 25195 7261 1 11 . 1 1 122 122 GLY C C 122 169.500 169.500 171.397 -1.897 25195 7262 1 11 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.288 -0.188 25195 7263 1 11 . 1 1 122 122 GLY H H 122 7.900 7.900 7.538 0.362 25195 7264 1 11 . 1 1 123 123 VAL N N 123 117.100 117.100 119.640 -2.540 25195 7265 1 11 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.224 0.236 25195 7266 1 11 . 1 1 123 123 VAL C C 123 176.100 176.100 174.075 2.025 25195 7267 1 11 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.116 -0.116 25195 7268 1 11 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.397 -0.597 25195 7269 1 11 . 1 1 123 123 VAL H H 123 8.080 8.080 8.293 -0.213 25195 7270 1 11 . 1 1 124 124 ARG N N 124 122.300 122.300 126.624 -4.324 25195 7271 1 11 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.578 0.082 25195 7272 1 11 . 1 1 124 124 ARG C C 124 174.800 174.800 174.118 0.682 25195 7273 1 11 . 1 1 124 124 ARG CA C 124 54.400 54.400 53.974 0.426 25195 7274 1 11 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.318 1.582 25195 7275 1 11 . 1 1 124 124 ARG H H 124 8.510 8.510 8.767 -0.257 25195 7276 1 11 . 1 1 125 125 LEU N N 125 125.500 125.500 121.993 3.507 25195 7277 1 11 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.182 0.418 25195 7278 1 11 . 1 1 125 125 LEU C C 125 176.500 176.500 178.059 -1.559 25195 7279 1 11 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.843 -2.143 25195 7280 1 11 . 1 1 125 125 LEU CB C 125 40.900 40.900 41.934 -1.034 25195 7281 1 11 . 1 1 125 125 LEU H H 125 8.860 8.860 8.661 0.199 25195 7282 1 11 . 1 1 126 126 CYS N N 126 129.700 129.700 123.486 6.214 25195 7283 1 11 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.215 0.275 25195 7284 1 11 . 1 1 126 126 CYS C C 126 172.000 172.000 174.389 -2.389 25195 7285 1 11 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.712 0.188 25195 7286 1 11 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.990 -0.690 25195 7287 1 11 . 1 1 126 126 CYS H H 126 8.540 8.540 8.619 -0.079 25195 7288 1 11 . 1 1 127 127 ARG N N 127 117.500 117.500 118.331 -0.831 25195 7289 1 11 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.620 -0.430 25195 7290 1 11 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.158 0.042 25195 7291 1 11 . 1 1 127 127 ARG CB C 127 33.400 33.400 32.196 1.204 25195 7292 1 11 . 1 1 127 127 ARG H H 127 6.930 6.930 7.165 -0.235 25195 7293 1 11 . 1 1 128 128 PRO C C 128 177.100 177.100 176.950 0.150 25195 7294 1 11 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.344 0.856 25195 7295 1 11 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.615 2.685 25195 7296 1 11 . 1 1 129 129 ALA N N 129 124.000 124.000 120.259 3.741 25195 7297 1 11 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.052 -0.202 25195 7298 1 11 . 1 1 129 129 ALA C C 129 177.700 177.700 179.953 -2.253 25195 7299 1 11 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.963 0.237 25195 7300 1 11 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.518 1.382 25195 7301 1 11 . 1 1 129 129 ALA H H 129 9.320 9.320 8.522 0.798 25195 7302 1 11 . 1 1 130 130 GLU N N 130 111.600 111.600 117.592 -5.992 25195 7303 1 11 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.068 -0.228 25195 7304 1 11 . 1 1 130 130 GLU C C 130 178.200 178.200 178.825 -0.625 25195 7305 1 11 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.714 0.786 25195 7306 1 11 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.305 -1.205 25195 7307 1 11 . 1 1 130 130 GLU H H 130 9.490 9.490 8.944 0.546 25195 7308 1 11 . 1 1 131 131 THR N N 131 116.100 116.100 114.950 1.150 25195 7309 1 11 . 1 1 131 131 THR HA H 131 4.040 4.040 4.072 -0.032 25195 7310 1 11 . 1 1 131 131 THR C C 131 175.800 175.800 176.474 -0.674 25195 7311 1 11 . 1 1 131 131 THR CA C 131 65.600 65.600 65.364 0.236 25195 7312 1 11 . 1 1 131 131 THR CB C 131 69.800 69.800 68.959 0.841 25195 7313 1 11 . 1 1 131 131 THR H H 131 7.940 7.940 7.648 0.292 25195 7314 1 11 . 1 1 132 132 VAL N N 132 119.200 119.200 122.346 -3.146 25195 7315 1 11 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.702 0.178 25195 7316 1 11 . 1 1 132 132 VAL C C 132 176.500 176.500 177.005 -0.505 25195 7317 1 11 . 1 1 132 132 VAL CA C 132 64.100 64.100 66.246 -2.147 25195 7318 1 11 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.974 0.426 25195 7319 1 11 . 1 1 132 132 VAL H H 132 8.130 8.130 7.707 0.423 25195 7320 1 11 . 1 1 133 133 GLN N N 133 118.500 118.500 117.972 0.528 25195 7321 1 11 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.128 -0.278 25195 7322 1 11 . 1 1 133 133 GLN C C 133 178.500 178.500 177.409 1.091 25195 7323 1 11 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.254 0.546 25195 7324 1 11 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.380 -0.380 25195 7325 1 11 . 1 1 133 133 GLN H H 133 7.690 7.690 8.085 -0.395 25195 7326 1 11 . 1 1 134 134 GLU N N 134 115.200 115.200 119.540 -4.340 25195 7327 1 11 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.186 -0.046 25195 7328 1 11 . 1 1 134 134 GLU C C 134 177.000 177.000 178.108 -1.108 25195 7329 1 11 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.801 -0.001 25195 7330 1 11 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.052 -0.152 25195 7331 1 11 . 1 1 134 134 GLU H H 134 7.620 7.620 7.769 -0.149 25195 7332 1 11 . 1 1 135 135 LEU N N 135 115.600 115.600 119.815 -4.215 25195 7333 1 11 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.251 -0.031 25195 7334 1 11 . 1 1 135 135 LEU C C 135 176.100 176.100 177.008 -0.908 25195 7335 1 11 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.709 -2.909 25195 7336 1 11 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.815 0.485 25195 7337 1 11 . 1 1 135 135 LEU H H 135 7.740 7.740 7.833 -0.093 25195 7338 1 12 . 1 1 9 9 MET C C 9 176.700 176.700 175.054 1.646 25195 7339 1 12 . 1 1 9 9 MET CA C 9 55.600 55.600 54.943 0.657 25195 7340 1 12 . 1 1 9 9 MET CB C 9 32.700 32.700 35.773 -3.073 25195 7341 1 12 . 1 1 10 10 GLY N N 10 109.800 109.800 109.706 0.094 25195 7342 1 12 . 1 1 10 10 GLY C C 10 174.400 174.400 172.648 1.752 25195 7343 1 12 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.802 -0.502 25195 7344 1 12 . 1 1 10 10 GLY H H 10 8.480 8.480 8.770 -0.290 25195 7345 1 12 . 1 1 11 11 THR N N 11 113.500 113.500 112.473 1.027 25195 7346 1 12 . 1 1 11 11 THR HA H 11 4.330 4.330 4.666 -0.336 25195 7347 1 12 . 1 1 11 11 THR CA C 11 62.100 62.100 61.062 1.038 25195 7348 1 12 . 1 1 11 11 THR CB C 11 69.900 69.900 69.920 -0.020 25195 7349 1 12 . 1 1 11 11 THR H H 11 8.080 8.080 8.034 0.046 25195 7350 1 12 . 1 1 12 12 LEU N N 12 123.900 123.900 119.365 4.535 25195 7351 1 12 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.830 -0.520 25195 7352 1 12 . 1 1 12 12 LEU C C 12 177.700 177.700 175.895 1.805 25195 7353 1 12 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.062 1.738 25195 7354 1 12 . 1 1 12 12 LEU CB C 12 42.200 42.200 42.824 -0.624 25195 7355 1 12 . 1 1 12 12 LEU H H 12 8.390 8.390 7.731 0.659 25195 7356 1 12 . 1 1 13 13 GLU N N 13 121.300 121.300 118.416 2.884 25195 7357 1 12 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.485 -0.285 25195 7358 1 12 . 1 1 13 13 GLU C C 13 176.500 176.500 175.363 1.137 25195 7359 1 12 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.037 2.063 25195 7360 1 12 . 1 1 13 13 GLU CB C 13 29.900 29.900 30.655 -0.756 25195 7361 1 12 . 1 1 13 13 GLU H H 13 8.430 8.430 8.229 0.201 25195 7362 1 12 . 1 1 14 14 ALA N N 14 124.100 124.100 120.869 3.231 25195 7363 1 12 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.540 -0.270 25195 7364 1 12 . 1 1 14 14 ALA C C 14 177.900 177.900 175.419 2.481 25195 7365 1 12 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.750 1.050 25195 7366 1 12 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.848 -1.648 25195 7367 1 12 . 1 1 14 14 ALA H H 14 8.270 8.270 8.327 -0.057 25195 7368 1 12 . 1 1 15 15 GLN N N 15 118.900 118.900 117.971 0.929 25195 7369 1 12 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.507 -0.267 25195 7370 1 12 . 1 1 15 15 GLN C C 15 176.500 176.500 174.843 1.657 25195 7371 1 12 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.584 0.216 25195 7372 1 12 . 1 1 15 15 GLN CB C 15 29.400 29.400 31.362 -1.962 25195 7373 1 12 . 1 1 15 15 GLN H H 15 8.360 8.360 8.408 -0.048 25195 7374 1 12 . 1 1 16 16 THR N N 16 114.900 114.900 113.560 1.340 25195 7375 1 12 . 1 1 16 16 THR HA H 16 4.360 4.360 4.613 -0.253 25195 7376 1 12 . 1 1 16 16 THR C C 16 174.600 174.600 174.406 0.194 25195 7377 1 12 . 1 1 16 16 THR CA C 16 61.900 61.900 60.315 1.585 25195 7378 1 12 . 1 1 16 16 THR CB C 16 69.800 69.800 70.254 -0.454 25195 7379 1 12 . 1 1 16 16 THR H H 16 8.190 8.190 8.290 -0.100 25195 7380 1 12 . 1 1 17 17 GLN N N 17 122.100 122.100 119.822 2.278 25195 7381 1 12 . 1 1 17 17 GLN C C 17 176.100 176.100 177.203 -1.103 25195 7382 1 12 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.634 -0.934 25195 7383 1 12 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.903 0.797 25195 7384 1 12 . 1 1 17 17 GLN H H 17 8.440 8.440 8.520 -0.080 25195 7385 1 12 . 1 1 18 18 GLY N N 18 110.100 110.100 108.048 2.052 25195 7386 1 12 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.515 0.185 25195 7387 1 12 . 1 1 18 18 GLY H H 18 8.370 8.370 8.375 -0.005 25195 7388 1 12 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.349 0.091 25195 7389 1 12 . 1 1 19 19 PRO C C 19 177.700 177.700 176.556 1.144 25195 7390 1 12 . 1 1 19 19 PRO CA C 19 63.700 63.700 63.033 0.667 25195 7391 1 12 . 1 1 19 19 PRO CB C 19 32.400 32.400 30.593 1.806 25195 7392 1 12 . 1 1 20 20 GLY N N 20 109.200 109.200 112.411 -3.211 25195 7393 1 12 . 1 1 20 20 GLY C C 20 174.400 174.400 174.008 0.392 25195 7394 1 12 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.755 0.645 25195 7395 1 12 . 1 1 20 20 GLY H H 20 8.620 8.620 8.132 0.488 25195 7396 1 12 . 1 1 21 21 SER N N 21 115.000 115.000 113.331 1.669 25195 7397 1 12 . 1 1 21 21 SER HA H 21 4.420 4.420 4.195 0.225 25195 7398 1 12 . 1 1 21 21 SER C C 21 174.600 174.600 174.160 0.440 25195 7399 1 12 . 1 1 21 21 SER CA C 21 58.600 58.600 58.945 -0.345 25195 7400 1 12 . 1 1 21 21 SER CB C 21 64.100 64.100 60.881 3.219 25195 7401 1 12 . 1 1 21 21 SER H H 21 8.180 8.180 8.347 -0.167 25195 7402 1 12 . 1 1 22 22 MET N N 22 121.500 121.500 118.199 3.301 25195 7403 1 12 . 1 1 22 22 MET HA H 22 4.440 4.440 4.309 0.131 25195 7404 1 12 . 1 1 22 22 MET C C 22 175.100 175.100 174.545 0.555 25195 7405 1 12 . 1 1 22 22 MET CA C 22 55.600 55.600 57.280 -1.680 25195 7406 1 12 . 1 1 22 22 MET CB C 22 33.600 33.600 33.073 0.527 25195 7407 1 12 . 1 1 22 22 MET H H 22 8.340 8.340 7.830 0.510 25195 7408 1 12 . 1 1 23 23 ASP N N 23 123.000 123.000 122.122 0.878 25195 7409 1 12 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.862 -0.252 25195 7410 1 12 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.816 0.984 25195 7411 1 12 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.741 -0.041 25195 7412 1 12 . 1 1 23 23 ASP H H 23 8.170 8.170 8.498 -0.328 25195 7413 1 12 . 1 1 24 24 VAL N N 24 123.200 123.200 119.624 3.576 25195 7414 1 12 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.693 0.347 25195 7415 1 12 . 1 1 24 24 VAL C C 24 174.900 174.900 174.489 0.411 25195 7416 1 12 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.557 0.343 25195 7417 1 12 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.900 0.200 25195 7418 1 12 . 1 1 24 24 VAL H H 24 8.210 8.210 7.775 0.435 25195 7419 1 12 . 1 1 25 25 THR N N 25 124.200 124.200 122.409 1.791 25195 7420 1 12 . 1 1 25 25 THR HA H 25 5.310 5.310 5.088 0.222 25195 7421 1 12 . 1 1 25 25 THR C C 25 172.300 172.300 172.804 -0.504 25195 7422 1 12 . 1 1 25 25 THR CA C 25 61.800 61.800 61.322 0.478 25195 7423 1 12 . 1 1 25 25 THR CB C 25 71.600 71.600 71.367 0.233 25195 7424 1 12 . 1 1 25 25 THR H H 25 9.170 9.170 8.718 0.452 25195 7425 1 12 . 1 1 26 26 ILE N N 26 122.500 122.500 124.008 -1.508 25195 7426 1 12 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.301 0.969 25195 7427 1 12 . 1 1 26 26 ILE C C 26 172.200 172.200 174.070 -1.870 25195 7428 1 12 . 1 1 26 26 ILE CA C 26 57.700 57.700 59.351 -1.651 25195 7429 1 12 . 1 1 26 26 ILE CB C 26 42.300 42.300 41.178 1.122 25195 7430 1 12 . 1 1 26 26 ILE H H 26 8.910 8.910 8.987 -0.077 25195 7431 1 12 . 1 1 27 27 TYR N N 27 129.400 129.400 127.095 2.305 25195 7432 1 12 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.841 -0.661 25195 7433 1 12 . 1 1 27 27 TYR CA C 27 58.500 58.500 55.414 3.086 25195 7434 1 12 . 1 1 27 27 TYR CB C 27 37.100 37.100 38.347 -1.247 25195 7435 1 12 . 1 1 27 27 TYR H H 27 9.090 9.090 8.844 0.246 25195 7436 1 12 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.886 2.814 25195 7437 1 12 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.161 0.689 25195 7438 1 12 . 1 1 30 30 PRO C C 30 177.000 177.000 175.525 1.475 25195 7439 1 12 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.917 1.283 25195 7440 1 12 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.336 2.364 25195 7441 1 12 . 1 1 31 31 VAL N N 31 112.100 112.100 122.974 -10.874 25195 7442 1 12 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.283 -0.123 25195 7443 1 12 . 1 1 31 31 VAL C C 31 175.000 175.000 174.838 0.162 25195 7444 1 12 . 1 1 31 31 VAL CA C 31 62.000 62.000 59.111 2.889 25195 7445 1 12 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.651 -2.151 25195 7446 1 12 . 1 1 31 31 VAL H H 31 7.290 7.290 8.112 -0.822 25195 7447 1 12 . 1 1 32 32 CYS N N 32 126.100 126.100 126.809 -0.709 25195 7448 1 12 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.217 0.143 25195 7449 1 12 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.224 -1.923 25195 7450 1 12 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.471 2.729 25195 7451 1 12 . 1 1 32 32 CYS H H 32 7.780 7.780 8.918 -1.138 25195 7452 1 12 . 1 1 33 33 GLY C C 33 177.400 177.400 175.856 1.544 25195 7453 1 12 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.916 0.784 25195 7454 1 12 . 1 1 34 34 THR N N 34 123.700 123.700 119.621 4.079 25195 7455 1 12 . 1 1 34 34 THR HA H 34 4.250 4.250 3.991 0.259 25195 7456 1 12 . 1 1 34 34 THR C C 34 175.600 175.600 176.229 -0.629 25195 7457 1 12 . 1 1 34 34 THR CA C 34 67.600 67.600 66.502 1.098 25195 7458 1 12 . 1 1 34 34 THR CB C 34 68.700 68.700 68.379 0.321 25195 7459 1 12 . 1 1 34 34 THR H H 34 9.110 9.110 8.033 1.077 25195 7460 1 12 . 1 1 35 35 SER N N 35 123.600 123.600 117.472 6.128 25195 7461 1 12 . 1 1 35 35 SER C C 35 177.900 177.900 176.744 1.156 25195 7462 1 12 . 1 1 35 35 SER CA C 35 63.800 63.800 61.493 2.307 25195 7463 1 12 . 1 1 35 35 SER CB C 35 63.800 63.800 62.996 0.804 25195 7464 1 12 . 1 1 35 35 SER H H 35 9.530 9.530 8.271 1.259 25195 7465 1 12 . 1 1 36 36 ARG N N 36 113.400 113.400 120.464 -7.064 25195 7466 1 12 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.146 -0.146 25195 7467 1 12 . 1 1 36 36 ARG C C 36 179.200 179.200 178.674 0.526 25195 7468 1 12 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.536 2.764 25195 7469 1 12 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.845 1.455 25195 7470 1 12 . 1 1 36 36 ARG H H 36 8.740 8.740 8.395 0.345 25195 7471 1 12 . 1 1 37 37 LYS N N 37 121.900 121.900 120.961 0.939 25195 7472 1 12 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.130 0.010 25195 7473 1 12 . 1 1 37 37 LYS C C 37 179.400 179.400 178.753 0.647 25195 7474 1 12 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.026 0.674 25195 7475 1 12 . 1 1 37 37 LYS CB C 37 32.600 32.600 31.836 0.764 25195 7476 1 12 . 1 1 37 37 LYS H H 37 7.980 7.980 7.938 0.042 25195 7477 1 12 . 1 1 38 38 VAL N N 38 120.900 120.900 120.035 0.865 25195 7478 1 12 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.609 0.011 25195 7479 1 12 . 1 1 38 38 VAL C C 38 177.300 177.300 177.365 -0.065 25195 7480 1 12 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.230 1.070 25195 7481 1 12 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.725 0.175 25195 7482 1 12 . 1 1 38 38 VAL H H 38 8.670 8.670 7.957 0.713 25195 7483 1 12 . 1 1 39 39 LEU N N 39 120.200 120.200 120.072 0.128 25195 7484 1 12 . 1 1 39 39 LEU C C 39 178.300 178.300 179.158 -0.858 25195 7485 1 12 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.791 0.809 25195 7486 1 12 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.407 0.192 25195 7487 1 12 . 1 1 39 39 LEU H H 39 8.300 8.300 8.316 -0.016 25195 7488 1 12 . 1 1 40 40 GLY N N 40 103.600 103.600 107.531 -3.931 25195 7489 1 12 . 1 1 40 40 GLY C C 40 176.600 176.600 176.442 0.158 25195 7490 1 12 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.172 0.228 25195 7491 1 12 . 1 1 40 40 GLY H H 40 8.050 8.050 8.454 -0.404 25195 7492 1 12 . 1 1 41 41 MET N N 41 122.300 122.300 121.764 0.536 25195 7493 1 12 . 1 1 41 41 MET HA H 41 4.030 4.030 4.182 -0.152 25195 7494 1 12 . 1 1 41 41 MET C C 41 179.200 179.200 179.082 0.118 25195 7495 1 12 . 1 1 41 41 MET CA C 41 59.900 59.900 57.755 2.145 25195 7496 1 12 . 1 1 41 41 MET CB C 41 33.600 33.600 31.886 1.714 25195 7497 1 12 . 1 1 41 41 MET H H 41 8.310 8.310 7.948 0.362 25195 7498 1 12 . 1 1 42 42 ILE N N 42 120.600 120.600 119.628 0.972 25195 7499 1 12 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.557 -0.017 25195 7500 1 12 . 1 1 42 42 ILE C C 42 177.600 177.600 178.011 -0.411 25195 7501 1 12 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.246 0.954 25195 7502 1 12 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.319 1.781 25195 7503 1 12 . 1 1 42 42 ILE H H 42 8.260 8.260 8.175 0.085 25195 7504 1 12 . 1 1 43 43 ARG N N 43 117.200 117.200 119.335 -2.135 25195 7505 1 12 . 1 1 43 43 ARG C C 43 182.100 182.100 179.070 3.030 25195 7506 1 12 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.284 -0.184 25195 7507 1 12 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.179 -0.779 25195 7508 1 12 . 1 1 43 43 ARG H H 43 7.810 7.810 8.226 -0.416 25195 7509 1 12 . 1 1 44 44 GLU N N 44 122.200 122.200 117.660 4.540 25195 7510 1 12 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.154 -0.104 25195 7511 1 12 . 1 1 44 44 GLU C C 44 177.600 177.600 177.585 0.015 25195 7512 1 12 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.094 1.006 25195 7513 1 12 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.522 -0.022 25195 7514 1 12 . 1 1 44 44 GLU H H 44 8.670 8.670 8.001 0.669 25195 7515 1 12 . 1 1 45 45 ALA N N 45 120.400 120.400 120.468 -0.068 25195 7516 1 12 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.177 0.243 25195 7517 1 12 . 1 1 45 45 ALA C C 45 177.300 177.300 177.972 -0.672 25195 7518 1 12 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.126 -0.626 25195 7519 1 12 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.537 -1.137 25195 7520 1 12 . 1 1 45 45 ALA H H 45 7.430 7.430 7.791 -0.361 25195 7521 1 12 . 1 1 46 46 GLY N N 46 106.000 106.000 105.196 0.804 25195 7522 1 12 . 1 1 46 46 GLY C C 46 173.800 173.800 172.920 0.880 25195 7523 1 12 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.719 0.581 25195 7524 1 12 . 1 1 46 46 GLY H H 46 8.080 8.080 7.755 0.325 25195 7525 1 12 . 1 1 47 47 ILE N N 47 121.500 121.500 117.880 3.620 25195 7526 1 12 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.439 -0.339 25195 7527 1 12 . 1 1 47 47 ILE C C 47 174.100 174.100 173.566 0.534 25195 7528 1 12 . 1 1 47 47 ILE CA C 47 59.700 59.700 60.356 -0.656 25195 7529 1 12 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.156 -1.056 25195 7530 1 12 . 1 1 47 47 ILE H H 47 7.180 7.180 7.512 -0.332 25195 7531 1 12 . 1 1 48 48 GLU N N 48 127.000 127.000 125.476 1.524 25195 7532 1 12 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.761 0.439 25195 7533 1 12 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.385 -1.085 25195 7534 1 12 . 1 1 48 48 GLU CB C 48 29.400 29.400 31.005 -1.605 25195 7535 1 12 . 1 1 48 48 GLU H H 48 8.440 8.440 8.764 -0.324 25195 7536 1 12 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.738 -0.098 25195 7537 1 12 . 1 1 49 49 PRO C C 49 175.200 175.200 175.882 -0.682 25195 7538 1 12 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.625 -0.725 25195 7539 1 12 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.690 0.010 25195 7540 1 12 . 1 1 50 50 HIS N N 50 119.000 119.000 119.191 -0.191 25195 7541 1 12 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.865 -0.165 25195 7542 1 12 . 1 1 50 50 HIS C C 50 174.200 174.200 174.479 -0.279 25195 7543 1 12 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.748 0.652 25195 7544 1 12 . 1 1 50 50 HIS CB C 50 29.100 29.100 32.382 -3.282 25195 7545 1 12 . 1 1 50 50 HIS H H 50 9.160 9.160 8.553 0.607 25195 7546 1 12 . 1 1 51 51 VAL N N 51 128.400 128.400 122.428 5.972 25195 7547 1 12 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.693 -0.453 25195 7548 1 12 . 1 1 51 51 VAL C C 51 175.600 175.600 174.481 1.119 25195 7549 1 12 . 1 1 51 51 VAL CA C 51 62.200 62.200 61.149 1.051 25195 7550 1 12 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.431 -0.231 25195 7551 1 12 . 1 1 51 51 VAL H H 51 8.760 8.760 8.039 0.721 25195 7552 1 12 . 1 1 52 52 ILE N N 52 129.400 129.400 127.922 1.478 25195 7553 1 12 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.497 -0.277 25195 7554 1 12 . 1 1 52 52 ILE C C 52 176.500 176.500 174.952 1.548 25195 7555 1 12 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.467 -0.167 25195 7556 1 12 . 1 1 52 52 ILE CB C 52 38.200 38.200 41.262 -3.062 25195 7557 1 12 . 1 1 52 52 ILE H H 52 9.000 9.000 9.049 -0.049 25195 7558 1 12 . 1 1 53 53 GLU N N 53 129.900 129.900 128.213 1.687 25195 7559 1 12 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.779 0.351 25195 7560 1 12 . 1 1 53 53 GLU C C 53 174.200 174.200 175.436 -1.236 25195 7561 1 12 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.275 0.625 25195 7562 1 12 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.652 -1.352 25195 7563 1 12 . 1 1 53 53 GLU H H 53 9.180 9.180 8.708 0.472 25195 7564 1 12 . 1 1 54 54 TYR N N 54 124.200 124.200 127.619 -3.419 25195 7565 1 12 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.514 0.686 25195 7566 1 12 . 1 1 54 54 TYR C C 54 174.200 174.200 175.830 -1.630 25195 7567 1 12 . 1 1 54 54 TYR CA C 54 54.100 54.100 58.173 -4.073 25195 7568 1 12 . 1 1 54 54 TYR CB C 54 38.000 38.000 39.432 -1.432 25195 7569 1 12 . 1 1 54 54 TYR H H 54 8.460 8.460 8.184 0.276 25195 7570 1 12 . 1 1 55 55 MET N N 55 121.900 121.900 123.234 -1.334 25195 7571 1 12 . 1 1 55 55 MET H H 55 7.660 7.660 7.653 0.007 25195 7572 1 12 . 1 1 56 56 LYS C C 56 176.700 176.700 175.555 1.145 25195 7573 1 12 . 1 1 56 56 LYS CA C 56 56.900 56.900 57.069 -0.169 25195 7574 1 12 . 1 1 56 56 LYS CB C 56 29.200 29.200 31.477 -2.277 25195 7575 1 12 . 1 1 57 57 THR N N 57 114.700 114.700 118.669 -3.969 25195 7576 1 12 . 1 1 57 57 THR HA H 57 4.720 4.720 4.751 -0.031 25195 7577 1 12 . 1 1 57 57 THR CB C 57 70.500 70.500 69.377 1.123 25195 7578 1 12 . 1 1 57 57 THR H H 57 7.940 7.940 8.066 -0.126 25195 7579 1 12 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.608 0.092 25195 7580 1 12 . 1 1 58 58 PRO C C 58 177.400 177.400 175.833 1.567 25195 7581 1 12 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.020 -0.220 25195 7582 1 12 . 1 1 58 58 PRO CB C 58 32.600 32.600 31.680 0.920 25195 7583 1 12 . 1 1 59 59 LEU N N 59 125.300 125.300 122.002 3.298 25195 7584 1 12 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.984 -0.404 25195 7585 1 12 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.567 0.733 25195 7586 1 12 . 1 1 59 59 LEU H H 59 8.760 8.760 7.954 0.806 25195 7587 1 12 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.592 -0.082 25195 7588 1 12 . 1 1 60 60 PRO C C 60 178.400 178.400 178.192 0.208 25195 7589 1 12 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.154 -0.054 25195 7590 1 12 . 1 1 60 60 PRO CB C 60 32.300 32.300 33.102 -0.802 25195 7591 1 12 . 1 1 61 61 ARG N N 61 125.800 125.800 120.514 5.286 25195 7592 1 12 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.875 -0.175 25195 7593 1 12 . 1 1 61 61 ARG C C 61 177.800 177.800 177.756 0.044 25195 7594 1 12 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.958 0.842 25195 7595 1 12 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.216 1.184 25195 7596 1 12 . 1 1 61 61 ARG H H 61 8.980 8.980 8.738 0.242 25195 7597 1 12 . 1 1 62 62 ASP N N 62 113.300 113.300 118.977 -5.677 25195 7598 1 12 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.349 -0.109 25195 7599 1 12 . 1 1 62 62 ASP C C 62 179.100 179.100 178.450 0.650 25195 7600 1 12 . 1 1 62 62 ASP CA C 62 57.000 57.000 58.197 -1.197 25195 7601 1 12 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.226 -0.526 25195 7602 1 12 . 1 1 62 62 ASP H H 62 8.820 8.820 8.704 0.116 25195 7603 1 12 . 1 1 63 63 MET N N 63 118.800 118.800 118.217 0.583 25195 7604 1 12 . 1 1 63 63 MET HA H 63 4.460 4.460 4.300 0.160 25195 7605 1 12 . 1 1 63 63 MET C C 63 177.700 177.700 178.792 -1.092 25195 7606 1 12 . 1 1 63 63 MET CA C 63 57.200 57.200 57.443 -0.243 25195 7607 1 12 . 1 1 63 63 MET CB C 63 32.500 32.500 32.287 0.213 25195 7608 1 12 . 1 1 63 63 MET H H 63 7.340 7.340 7.361 -0.021 25195 7609 1 12 . 1 1 64 64 LEU N N 64 121.000 121.000 121.476 -0.476 25195 7610 1 12 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.124 -0.164 25195 7611 1 12 . 1 1 64 64 LEU C C 64 178.000 178.000 178.974 -0.974 25195 7612 1 12 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.092 0.208 25195 7613 1 12 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.475 -0.075 25195 7614 1 12 . 1 1 64 64 LEU H H 64 7.570 7.570 8.044 -0.474 25195 7615 1 12 . 1 1 65 65 VAL N N 65 117.200 117.200 119.719 -2.519 25195 7616 1 12 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.668 -0.238 25195 7617 1 12 . 1 1 65 65 VAL C C 65 178.500 178.500 177.222 1.278 25195 7618 1 12 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.472 1.128 25195 7619 1 12 . 1 1 65 65 VAL CB C 65 32.000 32.000 32.014 -0.014 25195 7620 1 12 . 1 1 65 65 VAL H H 65 8.250 8.250 8.651 -0.401 25195 7621 1 12 . 1 1 66 66 GLU N N 66 120.200 120.200 120.410 -0.210 25195 7622 1 12 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.060 0.280 25195 7623 1 12 . 1 1 66 66 GLU C C 66 178.500 178.500 178.994 -0.494 25195 7624 1 12 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.686 -0.986 25195 7625 1 12 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.609 -0.409 25195 7626 1 12 . 1 1 66 66 GLU H H 66 7.510 7.510 7.987 -0.477 25195 7627 1 12 . 1 1 67 67 LEU N N 67 121.100 121.100 119.457 1.643 25195 7628 1 12 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.123 -0.133 25195 7629 1 12 . 1 1 67 67 LEU C C 67 179.400 179.400 178.879 0.521 25195 7630 1 12 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.130 0.270 25195 7631 1 12 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.068 -0.268 25195 7632 1 12 . 1 1 67 67 LEU H H 67 8.480 8.480 8.000 0.480 25195 7633 1 12 . 1 1 68 68 LEU N N 68 118.500 118.500 119.415 -0.915 25195 7634 1 12 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.142 -0.362 25195 7635 1 12 . 1 1 68 68 LEU C C 68 179.100 179.100 178.417 0.683 25195 7636 1 12 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.290 0.410 25195 7637 1 12 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.474 -0.074 25195 7638 1 12 . 1 1 68 68 LEU H H 68 8.250 8.250 8.223 0.027 25195 7639 1 12 . 1 1 69 69 ARG N N 69 119.200 119.200 118.176 1.024 25195 7640 1 12 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.329 -0.279 25195 7641 1 12 . 1 1 69 69 ARG C C 69 180.400 180.400 178.374 2.026 25195 7642 1 12 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.345 1.155 25195 7643 1 12 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.802 0.298 25195 7644 1 12 . 1 1 69 69 ARG H H 69 7.950 7.950 8.304 -0.354 25195 7645 1 12 . 1 1 70 70 GLN N N 70 118.500 118.500 117.410 1.090 25195 7646 1 12 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.135 -0.105 25195 7647 1 12 . 1 1 70 70 GLN C C 70 179.900 179.900 177.849 2.051 25195 7648 1 12 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.686 1.214 25195 7649 1 12 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.818 0.582 25195 7650 1 12 . 1 1 70 70 GLN H H 70 8.450 8.450 7.805 0.645 25195 7651 1 12 . 1 1 71 71 MET N N 71 117.500 117.500 118.242 -0.742 25195 7652 1 12 . 1 1 71 71 MET HA H 71 4.140 4.140 4.152 -0.012 25195 7653 1 12 . 1 1 71 71 MET C C 71 175.200 175.200 176.324 -1.124 25195 7654 1 12 . 1 1 71 71 MET CA C 71 58.200 58.200 58.017 0.183 25195 7655 1 12 . 1 1 71 71 MET CB C 71 36.200 36.200 32.944 3.256 25195 7656 1 12 . 1 1 71 71 MET H H 71 8.380 8.380 7.945 0.435 25195 7657 1 12 . 1 1 72 72 ALA N N 72 120.400 120.400 119.102 1.298 25195 7658 1 12 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.537 -0.507 25195 7659 1 12 . 1 1 72 72 ALA C C 72 176.600 176.600 177.039 -0.439 25195 7660 1 12 . 1 1 72 72 ALA CA C 72 52.800 52.800 51.975 0.825 25195 7661 1 12 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.710 -5.210 25195 7662 1 12 . 1 1 72 72 ALA H H 72 8.100 8.100 7.488 0.612 25195 7663 1 12 . 1 1 73 73 ILE N N 73 108.600 108.600 117.003 -8.403 25195 7664 1 12 . 1 1 73 73 ILE C C 73 174.700 174.700 175.102 -0.402 25195 7665 1 12 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.876 0.024 25195 7666 1 12 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.229 2.371 25195 7667 1 12 . 1 1 73 73 ILE H H 73 7.240 7.240 7.715 -0.475 25195 7668 1 12 . 1 1 74 74 SER N N 74 116.500 116.500 117.828 -1.328 25195 7669 1 12 . 1 1 74 74 SER HA H 74 4.780 4.780 4.489 0.291 25195 7670 1 12 . 1 1 74 74 SER CA C 74 55.900 55.900 57.929 -2.029 25195 7671 1 12 . 1 1 74 74 SER CB C 74 63.500 63.500 63.285 0.215 25195 7672 1 12 . 1 1 74 74 SER H H 74 8.290 8.290 8.538 -0.248 25195 7673 1 12 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.424 0.336 25195 7674 1 12 . 1 1 75 75 PRO C C 75 178.200 178.200 177.760 0.440 25195 7675 1 12 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.858 0.743 25195 7676 1 12 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.913 0.187 25195 7677 1 12 . 1 1 76 76 ARG N N 76 114.400 114.400 118.747 -4.347 25195 7678 1 12 . 1 1 76 76 ARG C C 76 178.100 178.100 176.624 1.476 25195 7679 1 12 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.914 1.086 25195 7680 1 12 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.258 -0.858 25195 7681 1 12 . 1 1 76 76 ARG H H 76 8.340 8.340 8.182 0.158 25195 7682 1 12 . 1 1 77 77 ALA N N 77 119.400 119.400 118.017 1.383 25195 7683 1 12 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.558 -0.328 25195 7684 1 12 . 1 1 77 77 ALA C C 77 178.100 178.100 176.367 1.733 25195 7685 1 12 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.212 2.587 25195 7686 1 12 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.993 -0.393 25195 7687 1 12 . 1 1 77 77 ALA H H 77 7.720 7.720 7.518 0.202 25195 7688 1 12 . 1 1 78 78 LEU N N 78 119.400 119.400 119.497 -0.097 25195 7689 1 12 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.580 -0.200 25195 7690 1 12 . 1 1 78 78 LEU C C 78 174.800 174.800 176.307 -1.507 25195 7691 1 12 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.488 -2.588 25195 7692 1 12 . 1 1 78 78 LEU CB C 78 44.100 44.100 44.032 0.068 25195 7693 1 12 . 1 1 78 78 LEU H H 78 7.610 7.610 7.330 0.280 25195 7694 1 12 . 1 1 79 79 LEU N N 79 118.700 118.700 121.497 -2.797 25195 7695 1 12 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.952 0.698 25195 7696 1 12 . 1 1 79 79 LEU C C 79 178.900 178.900 176.905 1.995 25195 7697 1 12 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.851 0.249 25195 7698 1 12 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.336 5.264 25195 7699 1 12 . 1 1 79 79 LEU H H 79 7.220 7.220 7.593 -0.373 25195 7700 1 12 . 1 1 80 80 ARG N N 80 124.000 124.000 124.977 -0.977 25195 7701 1 12 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.070 0.150 25195 7702 1 12 . 1 1 80 80 ARG C C 80 174.800 174.800 176.893 -2.093 25195 7703 1 12 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.873 -0.673 25195 7704 1 12 . 1 1 80 80 ARG CB C 80 30.700 30.700 31.093 -0.393 25195 7705 1 12 . 1 1 80 80 ARG H H 80 8.780 8.780 7.972 0.808 25195 7706 1 12 . 1 1 81 81 ALA N N 81 124.400 124.400 124.206 0.194 25195 7707 1 12 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.220 -1.730 25195 7708 1 12 . 1 1 81 81 ALA C C 81 177.600 177.600 178.535 -0.935 25195 7709 1 12 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.836 -2.136 25195 7710 1 12 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.041 -0.441 25195 7711 1 12 . 1 1 81 81 ALA H H 81 7.420 7.420 8.369 -0.949 25195 7712 1 12 . 1 1 82 82 LYS N N 82 114.500 114.500 117.714 -3.214 25195 7713 1 12 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.041 0.209 25195 7714 1 12 . 1 1 82 82 LYS C C 82 177.700 177.700 178.219 -0.519 25195 7715 1 12 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.094 -2.294 25195 7716 1 12 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.190 -0.790 25195 7717 1 12 . 1 1 82 82 LYS H H 82 8.190 8.190 8.507 -0.317 25195 7718 1 12 . 1 1 83 83 GLU N N 83 118.700 118.700 119.559 -0.859 25195 7719 1 12 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.353 -0.153 25195 7720 1 12 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.950 0.850 25195 7721 1 12 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.112 2.188 25195 7722 1 12 . 1 1 83 83 GLU H H 83 7.120 7.120 7.854 -0.734 25195 7723 1 12 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.896 0.314 25195 7724 1 12 . 1 1 84 84 ALA C C 84 180.900 180.900 179.049 1.851 25195 7725 1 12 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.784 -0.084 25195 7726 1 12 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.693 -0.893 25195 7727 1 12 . 1 1 85 85 ARG N N 85 115.800 115.800 118.413 -2.613 25195 7728 1 12 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.952 0.108 25195 7729 1 12 . 1 1 85 85 ARG C C 85 178.200 178.200 178.392 -0.192 25195 7730 1 12 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.607 -1.707 25195 7731 1 12 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.300 0.600 25195 7732 1 12 . 1 1 85 85 ARG H H 85 9.280 9.280 8.244 1.036 25195 7733 1 12 . 1 1 86 86 TYR N N 86 118.300 118.300 120.768 -2.468 25195 7734 1 12 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.069 -0.229 25195 7735 1 12 . 1 1 86 86 TYR C C 86 176.500 176.500 176.662 -0.162 25195 7736 1 12 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.640 -0.440 25195 7737 1 12 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.615 0.585 25195 7738 1 12 . 1 1 86 86 TYR H H 86 7.270 7.270 8.694 -1.424 25195 7739 1 12 . 1 1 87 87 ALA N N 87 120.500 120.500 119.745 0.755 25195 7740 1 12 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.598 0.742 25195 7741 1 12 . 1 1 87 87 ALA C C 87 181.900 181.900 180.318 1.582 25195 7742 1 12 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.965 0.435 25195 7743 1 12 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.961 0.439 25195 7744 1 12 . 1 1 87 87 ALA H H 87 7.110 7.110 7.706 -0.596 25195 7745 1 12 . 1 1 88 88 GLU N N 88 119.500 119.500 120.059 -0.559 25195 7746 1 12 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.002 -0.022 25195 7747 1 12 . 1 1 88 88 GLU C C 88 178.800 178.800 178.512 0.288 25195 7748 1 12 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.806 0.494 25195 7749 1 12 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.480 1.020 25195 7750 1 12 . 1 1 88 88 GLU H H 88 8.240 8.240 8.099 0.141 25195 7751 1 12 . 1 1 89 89 LEU N N 89 115.100 115.100 117.181 -2.081 25195 7752 1 12 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.210 0.070 25195 7753 1 12 . 1 1 89 89 LEU C C 89 176.900 176.900 177.472 -0.572 25195 7754 1 12 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.536 -1.036 25195 7755 1 12 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.314 0.486 25195 7756 1 12 . 1 1 89 89 LEU H H 89 7.430 7.430 7.926 -0.496 25195 7757 1 12 . 1 1 90 90 GLY N N 90 108.200 108.200 105.957 2.243 25195 7758 1 12 . 1 1 90 90 GLY C C 90 176.900 176.900 175.822 1.078 25195 7759 1 12 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.573 1.427 25195 7760 1 12 . 1 1 90 90 GLY H H 90 7.690 7.690 7.729 -0.039 25195 7761 1 12 . 1 1 91 91 LEU N N 91 113.000 113.000 119.705 -6.705 25195 7762 1 12 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.017 -0.247 25195 7763 1 12 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.399 -1.699 25195 7764 1 12 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.180 -1.880 25195 7765 1 12 . 1 1 91 91 LEU H H 91 7.000 7.000 7.389 -0.389 25195 7766 1 12 . 1 1 92 92 ASP N N 92 117.000 117.000 113.588 3.412 25195 7767 1 12 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.449 -0.009 25195 7768 1 12 . 1 1 92 92 ASP C C 92 175.400 175.400 176.510 -1.110 25195 7769 1 12 . 1 1 92 92 ASP CA C 92 54.800 54.800 54.855 -0.055 25195 7770 1 12 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.190 0.510 25195 7771 1 12 . 1 1 92 92 ASP H H 92 8.510 8.510 7.748 0.762 25195 7772 1 12 . 1 1 93 93 ASP N N 93 120.600 120.600 121.476 -0.876 25195 7773 1 12 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.627 -0.047 25195 7774 1 12 . 1 1 93 93 ASP C C 93 176.000 176.000 176.949 -0.949 25195 7775 1 12 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.387 -1.287 25195 7776 1 12 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.932 0.568 25195 7777 1 12 . 1 1 93 93 ASP H H 93 7.000 7.000 7.726 -0.726 25195 7778 1 12 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.311 -0.011 25195 7779 1 12 . 1 1 94 94 PRO C C 94 178.100 178.100 176.892 1.208 25195 7780 1 12 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.836 -0.036 25195 7781 1 12 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.917 0.283 25195 7782 1 12 . 1 1 95 95 ALA N N 95 121.900 121.900 120.563 1.337 25195 7783 1 12 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.239 0.031 25195 7784 1 12 . 1 1 95 95 ALA C C 95 178.400 178.400 177.541 0.859 25195 7785 1 12 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.238 0.262 25195 7786 1 12 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.870 0.330 25195 7787 1 12 . 1 1 95 95 ALA H H 95 8.610 8.610 8.053 0.557 25195 7788 1 12 . 1 1 96 96 LEU N N 96 117.600 117.600 118.709 -1.109 25195 7789 1 12 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.247 -0.077 25195 7790 1 12 . 1 1 96 96 LEU C C 96 177.600 177.600 176.564 1.036 25195 7791 1 12 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.386 0.114 25195 7792 1 12 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.570 -0.170 25195 7793 1 12 . 1 1 96 96 LEU H H 96 7.010 7.010 7.470 -0.460 25195 7794 1 12 . 1 1 97 97 SER N N 97 119.200 119.200 112.437 6.763 25195 7795 1 12 . 1 1 97 97 SER HA H 97 4.360 4.360 4.785 -0.425 25195 7796 1 12 . 1 1 97 97 SER C C 97 174.400 174.400 174.319 0.081 25195 7797 1 12 . 1 1 97 97 SER CA C 97 57.300 57.300 56.977 0.322 25195 7798 1 12 . 1 1 97 97 SER CB C 97 64.900 64.900 65.626 -0.726 25195 7799 1 12 . 1 1 97 97 SER H H 97 8.620 8.620 8.059 0.561 25195 7800 1 12 . 1 1 98 98 ASP N N 98 122.000 122.000 122.369 -0.369 25195 7801 1 12 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.365 -0.095 25195 7802 1 12 . 1 1 98 98 ASP C C 98 178.100 178.100 177.987 0.113 25195 7803 1 12 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.472 0.328 25195 7804 1 12 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.763 -0.663 25195 7805 1 12 . 1 1 98 98 ASP H H 98 9.050 9.050 8.831 0.219 25195 7806 1 12 . 1 1 99 99 GLU N N 99 116.100 116.100 119.996 -3.896 25195 7807 1 12 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.037 -0.247 25195 7808 1 12 . 1 1 99 99 GLU C C 99 176.800 176.800 178.464 -1.664 25195 7809 1 12 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.545 0.355 25195 7810 1 12 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.202 -0.002 25195 7811 1 12 . 1 1 99 99 GLU H H 99 8.250 8.250 8.837 -0.587 25195 7812 1 12 . 1 1 100 100 VAL N N 100 118.000 118.000 117.329 0.671 25195 7813 1 12 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.877 -0.067 25195 7814 1 12 . 1 1 100 100 VAL C C 100 179.200 179.200 177.943 1.257 25195 7815 1 12 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.451 0.148 25195 7816 1 12 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.117 0.283 25195 7817 1 12 . 1 1 100 100 VAL H H 100 7.290 7.290 7.738 -0.448 25195 7818 1 12 . 1 1 101 101 LEU N N 101 120.100 120.100 121.099 -0.999 25195 7819 1 12 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.026 -0.076 25195 7820 1 12 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.059 0.041 25195 7821 1 12 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.710 0.790 25195 7822 1 12 . 1 1 101 101 LEU H H 101 7.610 7.610 7.902 -0.292 25195 7823 1 12 . 1 1 102 102 ILE N N 102 118.900 118.900 119.930 -1.030 25195 7824 1 12 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.516 -0.096 25195 7825 1 12 . 1 1 102 102 ILE C C 102 177.700 177.700 177.371 0.329 25195 7826 1 12 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.503 -0.103 25195 7827 1 12 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.591 0.909 25195 7828 1 12 . 1 1 102 102 ILE H H 102 8.260 8.260 8.641 -0.381 25195 7829 1 12 . 1 1 103 103 ASP N N 103 118.000 118.000 120.077 -2.077 25195 7830 1 12 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.235 0.085 25195 7831 1 12 . 1 1 103 103 ASP C C 103 179.400 179.400 178.460 0.940 25195 7832 1 12 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.873 -0.073 25195 7833 1 12 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.959 -0.859 25195 7834 1 12 . 1 1 103 103 ASP H H 103 8.080 8.080 8.115 -0.035 25195 7835 1 12 . 1 1 104 104 ALA N N 104 121.500 121.500 122.274 -0.774 25195 7836 1 12 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.136 -0.066 25195 7837 1 12 . 1 1 104 104 ALA C C 104 179.900 179.900 179.682 0.218 25195 7838 1 12 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.829 0.571 25195 7839 1 12 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.396 -0.696 25195 7840 1 12 . 1 1 104 104 ALA H H 104 8.210 8.210 7.986 0.224 25195 7841 1 12 . 1 1 105 105 MET N N 105 115.800 115.800 119.243 -3.443 25195 7842 1 12 . 1 1 105 105 MET HA H 105 3.940 3.940 4.117 -0.177 25195 7843 1 12 . 1 1 105 105 MET C C 105 176.700 176.700 178.481 -1.781 25195 7844 1 12 . 1 1 105 105 MET CA C 105 59.500 59.500 59.008 0.492 25195 7845 1 12 . 1 1 105 105 MET CB C 105 35.400 35.400 32.996 2.404 25195 7846 1 12 . 1 1 105 105 MET H H 105 7.520 7.520 7.808 -0.288 25195 7847 1 12 . 1 1 106 106 ILE N N 106 118.100 118.100 116.991 1.109 25195 7848 1 12 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.807 0.213 25195 7849 1 12 . 1 1 106 106 ILE C C 106 178.200 178.200 177.782 0.418 25195 7850 1 12 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.874 -1.874 25195 7851 1 12 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.671 0.029 25195 7852 1 12 . 1 1 106 106 ILE H H 106 7.730 7.730 8.544 -0.814 25195 7853 1 12 . 1 1 107 107 SER N N 107 112.400 112.400 113.343 -0.943 25195 7854 1 12 . 1 1 107 107 SER HA H 107 4.340 4.340 4.330 0.010 25195 7855 1 12 . 1 1 107 107 SER C C 107 174.800 174.800 175.252 -0.452 25195 7856 1 12 . 1 1 107 107 SER CA C 107 60.400 60.400 59.678 0.722 25195 7857 1 12 . 1 1 107 107 SER CB C 107 64.000 64.000 63.736 0.264 25195 7858 1 12 . 1 1 107 107 SER H H 107 8.160 8.160 7.865 0.295 25195 7859 1 12 . 1 1 108 108 ASN N N 108 116.400 116.400 119.865 -3.465 25195 7860 1 12 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.037 0.253 25195 7861 1 12 . 1 1 108 108 ASN CA C 108 51.100 51.100 51.908 -0.808 25195 7862 1 12 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.377 1.823 25195 7863 1 12 . 1 1 108 108 ASN H H 108 7.700 7.700 7.784 -0.084 25195 7864 1 12 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.368 0.402 25195 7865 1 12 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.943 0.857 25195 7866 1 12 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.739 0.461 25195 7867 1 12 . 1 1 110 110 VAL N N 110 119.100 119.100 112.856 6.244 25195 7868 1 12 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.862 0.188 25195 7869 1 12 . 1 1 110 110 VAL C C 110 175.200 175.200 176.300 -1.100 25195 7870 1 12 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.978 0.622 25195 7871 1 12 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.912 0.288 25195 7872 1 12 . 1 1 110 110 VAL H H 110 8.280 8.280 7.650 0.630 25195 7873 1 12 . 1 1 111 111 LEU N N 111 115.200 115.200 113.123 2.077 25195 7874 1 12 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.742 -0.342 25195 7875 1 12 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.000 2.200 25195 7876 1 12 . 1 1 111 111 LEU H H 111 8.420 8.420 7.283 1.137 25195 7877 1 12 . 1 1 112 112 MET N N 112 118.900 118.900 120.499 -1.599 25195 7878 1 12 . 1 1 112 112 MET HA H 112 4.060 4.060 4.334 -0.274 25195 7879 1 12 . 1 1 112 112 MET CA C 112 56.500 56.500 56.005 0.494 25195 7880 1 12 . 1 1 112 112 MET CB C 112 35.600 35.600 30.625 4.975 25195 7881 1 12 . 1 1 112 112 MET H H 112 7.940 7.940 7.750 0.190 25195 7882 1 12 . 1 1 113 113 ASN N N 113 125.800 125.800 121.266 4.534 25195 7883 1 12 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.762 -0.122 25195 7884 1 12 . 1 1 113 113 ASN C C 113 170.700 170.700 176.050 -5.350 25195 7885 1 12 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.049 -0.849 25195 7886 1 12 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.905 -2.005 25195 7887 1 12 . 1 1 113 113 ASN H H 113 9.140 9.140 8.435 0.705 25195 7888 1 12 . 1 1 114 114 ARG N N 114 113.200 113.200 120.762 -7.562 25195 7889 1 12 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.666 -4.866 25195 7890 1 12 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.522 2.278 25195 7891 1 12 . 1 1 114 114 ARG H H 114 7.970 7.970 8.484 -0.514 25195 7892 1 12 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.809 0.011 25195 7893 1 12 . 1 1 115 115 PRO C C 115 175.400 175.400 175.993 -0.593 25195 7894 1 12 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.876 -0.276 25195 7895 1 12 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.263 2.137 25195 7896 1 12 . 1 1 116 116 VAL N N 116 124.500 124.500 126.215 -1.715 25195 7897 1 12 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.349 0.731 25195 7898 1 12 . 1 1 116 116 VAL C C 116 174.500 174.500 174.038 0.462 25195 7899 1 12 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.396 1.104 25195 7900 1 12 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.551 -2.551 25195 7901 1 12 . 1 1 116 116 VAL H H 116 7.840 7.840 8.710 -0.870 25195 7902 1 12 . 1 1 117 117 VAL N N 117 128.000 128.000 128.888 -0.888 25195 7903 1 12 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.133 0.647 25195 7904 1 12 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.258 0.742 25195 7905 1 12 . 1 1 117 117 VAL CB C 117 34.800 34.800 33.795 1.005 25195 7906 1 12 . 1 1 117 117 VAL H H 117 8.670 8.670 9.092 -0.422 25195 7907 1 12 . 1 1 118 118 VAL N N 118 125.700 125.700 129.827 -4.127 25195 7908 1 12 . 1 1 118 118 VAL C C 118 175.700 175.700 174.604 1.096 25195 7909 1 12 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.988 0.212 25195 7910 1 12 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.020 2.980 25195 7911 1 12 . 1 1 118 118 VAL H H 118 9.110 9.110 9.029 0.081 25195 7912 1 12 . 1 1 119 119 THR N N 119 118.500 118.500 118.863 -0.363 25195 7913 1 12 . 1 1 119 119 THR HA H 119 5.490 5.490 4.958 0.532 25195 7914 1 12 . 1 1 119 119 THR CA C 119 58.800 58.800 58.577 0.223 25195 7915 1 12 . 1 1 119 119 THR CB C 119 69.800 69.800 71.020 -1.220 25195 7916 1 12 . 1 1 119 119 THR H H 119 9.370 9.370 8.724 0.646 25195 7917 1 12 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.448 0.032 25195 7918 1 12 . 1 1 120 120 PRO C C 120 177.800 177.800 177.104 0.696 25195 7919 1 12 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.774 0.326 25195 7920 1 12 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.758 0.542 25195 7921 1 12 . 1 1 121 121 LYS N N 121 113.600 113.600 117.988 -4.388 25195 7922 1 12 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.474 -0.214 25195 7923 1 12 . 1 1 121 121 LYS C C 121 176.400 176.400 175.706 0.694 25195 7924 1 12 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.253 1.947 25195 7925 1 12 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.958 -0.158 25195 7926 1 12 . 1 1 121 121 LYS H H 121 8.360 8.360 7.991 0.369 25195 7927 1 12 . 1 1 122 122 GLY N N 122 108.400 108.400 106.251 2.149 25195 7928 1 12 . 1 1 122 122 GLY C C 122 169.500 169.500 171.891 -2.391 25195 7929 1 12 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.140 -0.040 25195 7930 1 12 . 1 1 122 122 GLY H H 122 7.900 7.900 7.583 0.317 25195 7931 1 12 . 1 1 123 123 VAL N N 123 117.100 117.100 119.366 -2.266 25195 7932 1 12 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.045 0.415 25195 7933 1 12 . 1 1 123 123 VAL C C 123 176.100 176.100 175.489 0.611 25195 7934 1 12 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.532 -0.532 25195 7935 1 12 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.862 -0.062 25195 7936 1 12 . 1 1 123 123 VAL H H 123 8.080 8.080 8.242 -0.162 25195 7937 1 12 . 1 1 124 124 ARG N N 124 122.300 122.300 123.564 -1.264 25195 7938 1 12 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.494 0.166 25195 7939 1 12 . 1 1 124 124 ARG C C 124 174.800 174.800 173.595 1.205 25195 7940 1 12 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.572 -0.172 25195 7941 1 12 . 1 1 124 124 ARG CB C 124 35.900 35.900 33.678 2.222 25195 7942 1 12 . 1 1 124 124 ARG H H 124 8.510 8.510 8.841 -0.331 25195 7943 1 12 . 1 1 125 125 LEU N N 125 125.500 125.500 121.900 3.600 25195 7944 1 12 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.293 0.307 25195 7945 1 12 . 1 1 125 125 LEU C C 125 176.500 176.500 177.130 -0.630 25195 7946 1 12 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.799 -1.099 25195 7947 1 12 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.047 -1.147 25195 7948 1 12 . 1 1 125 125 LEU H H 125 8.860 8.860 8.642 0.218 25195 7949 1 12 . 1 1 126 126 CYS N N 126 129.700 129.700 123.281 6.419 25195 7950 1 12 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.213 0.277 25195 7951 1 12 . 1 1 126 126 CYS C C 126 172.000 172.000 174.237 -2.237 25195 7952 1 12 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.098 0.802 25195 7953 1 12 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.711 -0.411 25195 7954 1 12 . 1 1 126 126 CYS H H 126 8.540 8.540 8.493 0.047 25195 7955 1 12 . 1 1 127 127 ARG N N 127 117.500 117.500 119.348 -1.848 25195 7956 1 12 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.649 -0.459 25195 7957 1 12 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.462 -0.262 25195 7958 1 12 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.208 2.192 25195 7959 1 12 . 1 1 127 127 ARG H H 127 6.930 6.930 7.126 -0.196 25195 7960 1 12 . 1 1 128 128 PRO C C 128 177.100 177.100 177.140 -0.040 25195 7961 1 12 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.351 0.849 25195 7962 1 12 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.748 2.552 25195 7963 1 12 . 1 1 129 129 ALA N N 129 124.000 124.000 120.989 3.011 25195 7964 1 12 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.016 -0.166 25195 7965 1 12 . 1 1 129 129 ALA C C 129 177.700 177.700 180.122 -2.422 25195 7966 1 12 . 1 1 129 129 ALA CA C 129 55.200 55.200 55.166 0.035 25195 7967 1 12 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.451 1.449 25195 7968 1 12 . 1 1 129 129 ALA H H 129 9.320 9.320 8.552 0.768 25195 7969 1 12 . 1 1 130 130 GLU N N 130 111.600 111.600 117.910 -6.310 25195 7970 1 12 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.013 -0.173 25195 7971 1 12 . 1 1 130 130 GLU C C 130 178.200 178.200 178.788 -0.588 25195 7972 1 12 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.968 0.532 25195 7973 1 12 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.239 -1.139 25195 7974 1 12 . 1 1 130 130 GLU H H 130 9.490 9.490 8.755 0.735 25195 7975 1 12 . 1 1 131 131 THR N N 131 116.100 116.100 114.527 1.573 25195 7976 1 12 . 1 1 131 131 THR HA H 131 4.040 4.040 4.007 0.033 25195 7977 1 12 . 1 1 131 131 THR C C 131 175.800 175.800 176.494 -0.694 25195 7978 1 12 . 1 1 131 131 THR CA C 131 65.600 65.600 65.434 0.166 25195 7979 1 12 . 1 1 131 131 THR CB C 131 69.800 69.800 68.197 1.603 25195 7980 1 12 . 1 1 131 131 THR H H 131 7.940 7.940 7.666 0.274 25195 7981 1 12 . 1 1 132 132 VAL N N 132 119.200 119.200 122.055 -2.855 25195 7982 1 12 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.681 0.199 25195 7983 1 12 . 1 1 132 132 VAL C C 132 176.500 176.500 177.549 -1.049 25195 7984 1 12 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.804 -1.704 25195 7985 1 12 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.626 0.774 25195 7986 1 12 . 1 1 132 132 VAL H H 132 8.130 8.130 7.659 0.471 25195 7987 1 12 . 1 1 133 133 GLN N N 133 118.500 118.500 118.942 -0.442 25195 7988 1 12 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.012 -0.162 25195 7989 1 12 . 1 1 133 133 GLN C C 133 178.500 178.500 178.091 0.409 25195 7990 1 12 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.850 -0.050 25195 7991 1 12 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.487 -0.487 25195 7992 1 12 . 1 1 133 133 GLN H H 133 7.690 7.690 7.855 -0.165 25195 7993 1 12 . 1 1 134 134 GLU N N 134 115.200 115.200 118.763 -3.563 25195 7994 1 12 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.166 -0.026 25195 7995 1 12 . 1 1 134 134 GLU C C 134 177.000 177.000 178.354 -1.354 25195 7996 1 12 . 1 1 134 134 GLU CA C 134 57.800 57.800 58.042 -0.242 25195 7997 1 12 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.926 -0.026 25195 7998 1 12 . 1 1 134 134 GLU H H 134 7.620 7.620 7.747 -0.127 25195 7999 1 12 . 1 1 135 135 LEU N N 135 115.600 115.600 119.827 -4.227 25195 8000 1 12 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.202 0.018 25195 8001 1 12 . 1 1 135 135 LEU C C 135 176.100 176.100 176.858 -0.758 25195 8002 1 12 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.761 -2.962 25195 8003 1 12 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.810 0.490 25195 8004 1 12 . 1 1 135 135 LEU H H 135 7.740 7.740 7.699 0.041 25195 8005 1 13 . 1 1 9 9 MET C C 9 176.700 176.700 174.189 2.511 25195 8006 1 13 . 1 1 9 9 MET CA C 9 55.600 55.600 55.175 0.425 25195 8007 1 13 . 1 1 9 9 MET CB C 9 32.700 32.700 34.720 -2.020 25195 8008 1 13 . 1 1 10 10 GLY N N 10 109.800 109.800 109.697 0.103 25195 8009 1 13 . 1 1 10 10 GLY C C 10 174.400 174.400 172.833 1.567 25195 8010 1 13 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.934 0.366 25195 8011 1 13 . 1 1 10 10 GLY H H 10 8.480 8.480 8.606 -0.126 25195 8012 1 13 . 1 1 11 11 THR N N 11 113.500 113.500 115.972 -2.472 25195 8013 1 13 . 1 1 11 11 THR HA H 11 4.330 4.330 4.862 -0.532 25195 8014 1 13 . 1 1 11 11 THR CA C 11 62.100 62.100 61.676 0.424 25195 8015 1 13 . 1 1 11 11 THR CB C 11 69.900 69.900 70.167 -0.267 25195 8016 1 13 . 1 1 11 11 THR H H 11 8.080 8.080 8.456 -0.376 25195 8017 1 13 . 1 1 12 12 LEU N N 12 123.900 123.900 123.344 0.556 25195 8018 1 13 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.916 -0.606 25195 8019 1 13 . 1 1 12 12 LEU C C 12 177.700 177.700 175.407 2.293 25195 8020 1 13 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.023 1.777 25195 8021 1 13 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.849 -2.649 25195 8022 1 13 . 1 1 12 12 LEU H H 12 8.390 8.390 8.641 -0.251 25195 8023 1 13 . 1 1 13 13 GLU N N 13 121.300 121.300 119.921 1.379 25195 8024 1 13 . 1 1 13 13 GLU HA H 13 4.200 4.200 5.104 -0.904 25195 8025 1 13 . 1 1 13 13 GLU C C 13 176.500 176.500 174.619 1.881 25195 8026 1 13 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.550 1.550 25195 8027 1 13 . 1 1 13 13 GLU CB C 13 29.900 29.900 32.498 -2.598 25195 8028 1 13 . 1 1 13 13 GLU H H 13 8.430 8.430 8.737 -0.307 25195 8029 1 13 . 1 1 14 14 ALA N N 14 124.100 124.100 123.362 0.738 25195 8030 1 13 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.437 -0.167 25195 8031 1 13 . 1 1 14 14 ALA C C 14 177.900 177.900 175.395 2.505 25195 8032 1 13 . 1 1 14 14 ALA CA C 14 52.800 52.800 52.110 0.690 25195 8033 1 13 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.103 -0.903 25195 8034 1 13 . 1 1 14 14 ALA H H 14 8.270 8.270 8.223 0.047 25195 8035 1 13 . 1 1 15 15 GLN N N 15 118.900 118.900 121.252 -2.352 25195 8036 1 13 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.539 -0.299 25195 8037 1 13 . 1 1 15 15 GLN C C 15 176.500 176.500 174.204 2.296 25195 8038 1 13 . 1 1 15 15 GLN CA C 15 55.800 55.800 56.010 -0.210 25195 8039 1 13 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.413 -1.013 25195 8040 1 13 . 1 1 15 15 GLN H H 15 8.360 8.360 8.561 -0.201 25195 8041 1 13 . 1 1 16 16 THR N N 16 114.900 114.900 118.579 -3.679 25195 8042 1 13 . 1 1 16 16 THR HA H 16 4.360 4.360 4.659 -0.299 25195 8043 1 13 . 1 1 16 16 THR C C 16 174.600 174.600 173.435 1.165 25195 8044 1 13 . 1 1 16 16 THR CA C 16 61.900 61.900 62.073 -0.173 25195 8045 1 13 . 1 1 16 16 THR CB C 16 69.800 69.800 69.890 -0.090 25195 8046 1 13 . 1 1 16 16 THR H H 16 8.190 8.190 8.364 -0.174 25195 8047 1 13 . 1 1 17 17 GLN N N 17 122.100 122.100 121.724 0.376 25195 8048 1 13 . 1 1 17 17 GLN C C 17 176.100 176.100 174.742 1.358 25195 8049 1 13 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.430 -0.730 25195 8050 1 13 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.719 -0.019 25195 8051 1 13 . 1 1 17 17 GLN H H 17 8.440 8.440 8.477 -0.037 25195 8052 1 13 . 1 1 18 18 GLY N N 18 110.100 110.100 112.228 -2.128 25195 8053 1 13 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.913 -0.213 25195 8054 1 13 . 1 1 18 18 GLY H H 18 8.370 8.370 8.374 -0.004 25195 8055 1 13 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.531 -0.091 25195 8056 1 13 . 1 1 19 19 PRO C C 19 177.700 177.700 176.638 1.062 25195 8057 1 13 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.935 0.765 25195 8058 1 13 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.327 0.073 25195 8059 1 13 . 1 1 20 20 GLY N N 20 109.200 109.200 109.953 -0.753 25195 8060 1 13 . 1 1 20 20 GLY C C 20 174.400 174.400 174.431 -0.031 25195 8061 1 13 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.786 0.614 25195 8062 1 13 . 1 1 20 20 GLY H H 20 8.620 8.620 8.443 0.177 25195 8063 1 13 . 1 1 21 21 SER N N 21 115.000 115.000 117.996 -2.996 25195 8064 1 13 . 1 1 21 21 SER HA H 21 4.420 4.420 4.584 -0.164 25195 8065 1 13 . 1 1 21 21 SER C C 21 174.600 174.600 174.378 0.222 25195 8066 1 13 . 1 1 21 21 SER CA C 21 58.600 58.600 57.573 1.027 25195 8067 1 13 . 1 1 21 21 SER CB C 21 64.100 64.100 63.588 0.512 25195 8068 1 13 . 1 1 21 21 SER H H 21 8.180 8.180 8.504 -0.324 25195 8069 1 13 . 1 1 22 22 MET N N 22 121.500 121.500 120.207 1.293 25195 8070 1 13 . 1 1 22 22 MET HA H 22 4.440 4.440 4.362 0.078 25195 8071 1 13 . 1 1 22 22 MET C C 22 175.100 175.100 175.461 -0.361 25195 8072 1 13 . 1 1 22 22 MET CA C 22 55.600 55.600 56.518 -0.918 25195 8073 1 13 . 1 1 22 22 MET CB C 22 33.600 33.600 32.342 1.258 25195 8074 1 13 . 1 1 22 22 MET H H 22 8.340 8.340 7.717 0.623 25195 8075 1 13 . 1 1 23 23 ASP N N 23 123.000 123.000 124.260 -1.260 25195 8076 1 13 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.940 -0.330 25195 8077 1 13 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.450 1.350 25195 8078 1 13 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.750 -0.050 25195 8079 1 13 . 1 1 23 23 ASP H H 23 8.170 8.170 8.593 -0.423 25195 8080 1 13 . 1 1 24 24 VAL N N 24 123.200 123.200 119.912 3.288 25195 8081 1 13 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.574 0.466 25195 8082 1 13 . 1 1 24 24 VAL C C 24 174.900 174.900 174.639 0.261 25195 8083 1 13 . 1 1 24 24 VAL CA C 24 60.900 60.900 61.354 -0.454 25195 8084 1 13 . 1 1 24 24 VAL CB C 24 35.100 35.100 35.369 -0.269 25195 8085 1 13 . 1 1 24 24 VAL H H 24 8.210 8.210 7.733 0.477 25195 8086 1 13 . 1 1 25 25 THR N N 25 124.200 124.200 123.268 0.932 25195 8087 1 13 . 1 1 25 25 THR HA H 25 5.310 5.310 5.076 0.234 25195 8088 1 13 . 1 1 25 25 THR C C 25 172.300 172.300 173.285 -0.985 25195 8089 1 13 . 1 1 25 25 THR CA C 25 61.800 61.800 61.104 0.696 25195 8090 1 13 . 1 1 25 25 THR CB C 25 71.600 71.600 70.643 0.957 25195 8091 1 13 . 1 1 25 25 THR H H 25 9.170 9.170 8.668 0.502 25195 8092 1 13 . 1 1 26 26 ILE N N 26 122.500 122.500 122.316 0.184 25195 8093 1 13 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.562 0.708 25195 8094 1 13 . 1 1 26 26 ILE C C 26 172.200 172.200 174.148 -1.948 25195 8095 1 13 . 1 1 26 26 ILE CA C 26 57.700 57.700 57.975 -0.275 25195 8096 1 13 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.122 2.178 25195 8097 1 13 . 1 1 26 26 ILE H H 26 8.910 8.910 8.996 -0.086 25195 8098 1 13 . 1 1 27 27 TYR N N 27 129.400 129.400 123.302 6.098 25195 8099 1 13 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.585 -0.405 25195 8100 1 13 . 1 1 27 27 TYR CA C 27 58.500 58.500 55.718 2.783 25195 8101 1 13 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.502 -2.402 25195 8102 1 13 . 1 1 27 27 TYR H H 27 9.090 9.090 9.059 0.031 25195 8103 1 13 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.105 4.595 25195 8104 1 13 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.382 0.468 25195 8105 1 13 . 1 1 30 30 PRO C C 30 177.000 177.000 175.729 1.271 25195 8106 1 13 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.964 1.236 25195 8107 1 13 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.443 2.257 25195 8108 1 13 . 1 1 31 31 VAL N N 31 112.100 112.100 123.466 -11.366 25195 8109 1 13 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.261 -0.101 25195 8110 1 13 . 1 1 31 31 VAL C C 31 175.000 175.000 175.782 -0.782 25195 8111 1 13 . 1 1 31 31 VAL CA C 31 62.000 62.000 61.091 0.909 25195 8112 1 13 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.764 -2.264 25195 8113 1 13 . 1 1 31 31 VAL H H 31 7.290 7.290 8.329 -1.039 25195 8114 1 13 . 1 1 32 32 CYS N N 32 126.100 126.100 123.863 2.237 25195 8115 1 13 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.222 0.138 25195 8116 1 13 . 1 1 32 32 CYS CA C 32 59.300 59.300 60.058 -0.758 25195 8117 1 13 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.494 2.706 25195 8118 1 13 . 1 1 32 32 CYS H H 32 7.780 7.780 8.927 -1.147 25195 8119 1 13 . 1 1 33 33 GLY C C 33 177.400 177.400 175.859 1.541 25195 8120 1 13 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.801 0.899 25195 8121 1 13 . 1 1 34 34 THR N N 34 123.700 123.700 119.429 4.271 25195 8122 1 13 . 1 1 34 34 THR HA H 34 4.250 4.250 4.018 0.232 25195 8123 1 13 . 1 1 34 34 THR C C 34 175.600 175.600 175.948 -0.348 25195 8124 1 13 . 1 1 34 34 THR CA C 34 67.600 67.600 67.151 0.449 25195 8125 1 13 . 1 1 34 34 THR CB C 34 68.700 68.700 69.043 -0.343 25195 8126 1 13 . 1 1 34 34 THR H H 34 9.110 9.110 8.127 0.983 25195 8127 1 13 . 1 1 35 35 SER N N 35 123.600 123.600 116.405 7.195 25195 8128 1 13 . 1 1 35 35 SER C C 35 177.900 177.900 176.519 1.381 25195 8129 1 13 . 1 1 35 35 SER CA C 35 63.800 63.800 61.546 2.254 25195 8130 1 13 . 1 1 35 35 SER CB C 35 63.800 63.800 63.051 0.749 25195 8131 1 13 . 1 1 35 35 SER H H 35 9.530 9.530 8.206 1.324 25195 8132 1 13 . 1 1 36 36 ARG N N 36 113.400 113.400 120.664 -7.264 25195 8133 1 13 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.072 -0.072 25195 8134 1 13 . 1 1 36 36 ARG C C 36 179.200 179.200 178.429 0.771 25195 8135 1 13 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.455 1.845 25195 8136 1 13 . 1 1 36 36 ARG CB C 36 31.300 31.300 30.246 1.054 25195 8137 1 13 . 1 1 36 36 ARG H H 36 8.740 8.740 8.292 0.448 25195 8138 1 13 . 1 1 37 37 LYS N N 37 121.900 121.900 120.435 1.465 25195 8139 1 13 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.085 0.055 25195 8140 1 13 . 1 1 37 37 LYS C C 37 179.400 179.400 178.821 0.579 25195 8141 1 13 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.046 0.654 25195 8142 1 13 . 1 1 37 37 LYS CB C 37 32.600 32.600 31.797 0.803 25195 8143 1 13 . 1 1 37 37 LYS H H 37 7.980 7.980 7.873 0.107 25195 8144 1 13 . 1 1 38 38 VAL N N 38 120.900 120.900 119.759 1.141 25195 8145 1 13 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.590 0.030 25195 8146 1 13 . 1 1 38 38 VAL C C 38 177.300 177.300 177.865 -0.565 25195 8147 1 13 . 1 1 38 38 VAL CA C 38 67.300 67.300 67.560 -0.260 25195 8148 1 13 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.764 0.136 25195 8149 1 13 . 1 1 38 38 VAL H H 38 8.670 8.670 8.075 0.595 25195 8150 1 13 . 1 1 39 39 LEU N N 39 120.200 120.200 119.606 0.594 25195 8151 1 13 . 1 1 39 39 LEU C C 39 178.300 178.300 179.383 -1.083 25195 8152 1 13 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.994 0.606 25195 8153 1 13 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.163 0.437 25195 8154 1 13 . 1 1 39 39 LEU H H 39 8.300 8.300 8.267 0.033 25195 8155 1 13 . 1 1 40 40 GLY N N 40 103.600 103.600 107.620 -4.020 25195 8156 1 13 . 1 1 40 40 GLY C C 40 176.600 176.600 176.426 0.174 25195 8157 1 13 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.075 0.325 25195 8158 1 13 . 1 1 40 40 GLY H H 40 8.050 8.050 8.363 -0.313 25195 8159 1 13 . 1 1 41 41 MET N N 41 122.300 122.300 121.975 0.325 25195 8160 1 13 . 1 1 41 41 MET HA H 41 4.030 4.030 4.147 -0.117 25195 8161 1 13 . 1 1 41 41 MET C C 41 179.200 179.200 179.006 0.194 25195 8162 1 13 . 1 1 41 41 MET CA C 41 59.900 59.900 58.494 1.406 25195 8163 1 13 . 1 1 41 41 MET CB C 41 33.600 33.600 32.190 1.410 25195 8164 1 13 . 1 1 41 41 MET H H 41 8.310 8.310 7.962 0.348 25195 8165 1 13 . 1 1 42 42 ILE N N 42 120.600 120.600 119.617 0.983 25195 8166 1 13 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.553 -0.013 25195 8167 1 13 . 1 1 42 42 ILE C C 42 177.600 177.600 177.956 -0.356 25195 8168 1 13 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.308 0.892 25195 8169 1 13 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.309 1.791 25195 8170 1 13 . 1 1 42 42 ILE H H 42 8.260 8.260 8.290 -0.030 25195 8171 1 13 . 1 1 43 43 ARG N N 43 117.200 117.200 119.229 -2.029 25195 8172 1 13 . 1 1 43 43 ARG C C 43 182.100 182.100 179.096 3.004 25195 8173 1 13 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.242 -0.142 25195 8174 1 13 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.144 -0.744 25195 8175 1 13 . 1 1 43 43 ARG H H 43 7.810 7.810 8.227 -0.417 25195 8176 1 13 . 1 1 44 44 GLU N N 44 122.200 122.200 117.786 4.414 25195 8177 1 13 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.146 -0.096 25195 8178 1 13 . 1 1 44 44 GLU C C 44 177.600 177.600 177.533 0.067 25195 8179 1 13 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.111 0.989 25195 8180 1 13 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.502 -0.002 25195 8181 1 13 . 1 1 44 44 GLU H H 44 8.670 8.670 8.009 0.661 25195 8182 1 13 . 1 1 45 45 ALA N N 45 120.400 120.400 120.375 0.025 25195 8183 1 13 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.180 0.240 25195 8184 1 13 . 1 1 45 45 ALA C C 45 177.300 177.300 177.979 -0.679 25195 8185 1 13 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.062 -0.562 25195 8186 1 13 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.586 -1.186 25195 8187 1 13 . 1 1 45 45 ALA H H 45 7.430 7.430 7.707 -0.277 25195 8188 1 13 . 1 1 46 46 GLY N N 46 106.000 106.000 105.646 0.354 25195 8189 1 13 . 1 1 46 46 GLY C C 46 173.800 173.800 173.234 0.566 25195 8190 1 13 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.674 0.626 25195 8191 1 13 . 1 1 46 46 GLY H H 46 8.080 8.080 7.756 0.324 25195 8192 1 13 . 1 1 47 47 ILE N N 47 121.500 121.500 118.711 2.789 25195 8193 1 13 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.371 -0.271 25195 8194 1 13 . 1 1 47 47 ILE C C 47 174.100 174.100 173.472 0.628 25195 8195 1 13 . 1 1 47 47 ILE CA C 47 59.700 59.700 60.394 -0.694 25195 8196 1 13 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.156 -1.056 25195 8197 1 13 . 1 1 47 47 ILE H H 47 7.180 7.180 7.495 -0.315 25195 8198 1 13 . 1 1 48 48 GLU N N 48 127.000 127.000 123.878 3.122 25195 8199 1 13 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.630 0.570 25195 8200 1 13 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.222 -0.922 25195 8201 1 13 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.897 -1.497 25195 8202 1 13 . 1 1 48 48 GLU H H 48 8.440 8.440 8.580 -0.140 25195 8203 1 13 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.618 0.022 25195 8204 1 13 . 1 1 49 49 PRO C C 49 175.200 175.200 175.881 -0.681 25195 8205 1 13 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.496 -0.596 25195 8206 1 13 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.666 0.034 25195 8207 1 13 . 1 1 50 50 HIS N N 50 119.000 119.000 119.206 -0.206 25195 8208 1 13 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.822 -0.122 25195 8209 1 13 . 1 1 50 50 HIS C C 50 174.200 174.200 174.732 -0.532 25195 8210 1 13 . 1 1 50 50 HIS CA C 50 55.400 55.400 55.361 0.039 25195 8211 1 13 . 1 1 50 50 HIS CB C 50 29.100 29.100 32.264 -3.164 25195 8212 1 13 . 1 1 50 50 HIS H H 50 9.160 9.160 8.504 0.656 25195 8213 1 13 . 1 1 51 51 VAL N N 51 128.400 128.400 122.339 6.061 25195 8214 1 13 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.704 -0.464 25195 8215 1 13 . 1 1 51 51 VAL C C 51 175.600 175.600 175.134 0.466 25195 8216 1 13 . 1 1 51 51 VAL CA C 51 62.200 62.200 60.987 1.213 25195 8217 1 13 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.938 0.263 25195 8218 1 13 . 1 1 51 51 VAL H H 51 8.760 8.760 8.686 0.074 25195 8219 1 13 . 1 1 52 52 ILE N N 52 129.400 129.400 128.774 0.626 25195 8220 1 13 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.479 -0.259 25195 8221 1 13 . 1 1 52 52 ILE C C 52 176.500 176.500 174.684 1.816 25195 8222 1 13 . 1 1 52 52 ILE CA C 52 60.300 60.300 61.077 -0.777 25195 8223 1 13 . 1 1 52 52 ILE CB C 52 38.200 38.200 40.014 -1.814 25195 8224 1 13 . 1 1 52 52 ILE H H 52 9.000 9.000 8.983 0.017 25195 8225 1 13 . 1 1 53 53 GLU N N 53 129.900 129.900 129.718 0.182 25195 8226 1 13 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.709 0.421 25195 8227 1 13 . 1 1 53 53 GLU C C 53 174.200 174.200 175.208 -1.008 25195 8228 1 13 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.933 -0.033 25195 8229 1 13 . 1 1 53 53 GLU CB C 53 28.300 28.300 30.626 -2.326 25195 8230 1 13 . 1 1 53 53 GLU H H 53 9.180 9.180 8.899 0.281 25195 8231 1 13 . 1 1 54 54 TYR N N 54 124.200 124.200 123.399 0.801 25195 8232 1 13 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.819 0.381 25195 8233 1 13 . 1 1 54 54 TYR C C 54 174.200 174.200 174.088 0.112 25195 8234 1 13 . 1 1 54 54 TYR CA C 54 54.100 54.100 55.863 -1.763 25195 8235 1 13 . 1 1 54 54 TYR CB C 54 38.000 38.000 38.975 -0.975 25195 8236 1 13 . 1 1 54 54 TYR H H 54 8.460 8.460 8.470 -0.010 25195 8237 1 13 . 1 1 55 55 MET N N 55 121.900 121.900 120.031 1.869 25195 8238 1 13 . 1 1 55 55 MET H H 55 7.660 7.660 8.373 -0.713 25195 8239 1 13 . 1 1 56 56 LYS C C 56 176.700 176.700 176.461 0.239 25195 8240 1 13 . 1 1 56 56 LYS CA C 56 56.900 56.900 57.886 -0.986 25195 8241 1 13 . 1 1 56 56 LYS CB C 56 29.200 29.200 31.602 -2.402 25195 8242 1 13 . 1 1 57 57 THR N N 57 114.700 114.700 114.666 0.034 25195 8243 1 13 . 1 1 57 57 THR HA H 57 4.720 4.720 4.123 0.597 25195 8244 1 13 . 1 1 57 57 THR CB C 57 70.500 70.500 67.911 2.589 25195 8245 1 13 . 1 1 57 57 THR H H 57 7.940 7.940 7.975 -0.035 25195 8246 1 13 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.413 0.287 25195 8247 1 13 . 1 1 58 58 PRO C C 58 177.400 177.400 176.163 1.237 25195 8248 1 13 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.057 -0.257 25195 8249 1 13 . 1 1 58 58 PRO CB C 58 32.600 32.600 31.738 0.862 25195 8250 1 13 . 1 1 59 59 LEU N N 59 125.300 125.300 126.409 -1.109 25195 8251 1 13 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.809 -0.229 25195 8252 1 13 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.207 1.093 25195 8253 1 13 . 1 1 59 59 LEU H H 59 8.760 8.760 8.120 0.640 25195 8254 1 13 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.564 -0.054 25195 8255 1 13 . 1 1 60 60 PRO C C 60 178.400 178.400 177.478 0.922 25195 8256 1 13 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.086 0.014 25195 8257 1 13 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.467 -0.167 25195 8258 1 13 . 1 1 61 61 ARG N N 61 125.800 125.800 120.159 5.641 25195 8259 1 13 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.847 -0.147 25195 8260 1 13 . 1 1 61 61 ARG C C 61 177.800 177.800 177.748 0.052 25195 8261 1 13 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.992 0.807 25195 8262 1 13 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.427 0.973 25195 8263 1 13 . 1 1 61 61 ARG H H 61 8.980 8.980 8.710 0.270 25195 8264 1 13 . 1 1 62 62 ASP N N 62 113.300 113.300 119.740 -6.440 25195 8265 1 13 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.384 -0.144 25195 8266 1 13 . 1 1 62 62 ASP C C 62 179.100 179.100 178.642 0.458 25195 8267 1 13 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.321 -0.321 25195 8268 1 13 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.568 -0.868 25195 8269 1 13 . 1 1 62 62 ASP H H 62 8.820 8.820 8.700 0.120 25195 8270 1 13 . 1 1 63 63 MET N N 63 118.800 118.800 118.080 0.720 25195 8271 1 13 . 1 1 63 63 MET HA H 63 4.460 4.460 4.250 0.210 25195 8272 1 13 . 1 1 63 63 MET C C 63 177.700 177.700 178.690 -0.990 25195 8273 1 13 . 1 1 63 63 MET CA C 63 57.200 57.200 57.483 -0.283 25195 8274 1 13 . 1 1 63 63 MET CB C 63 32.500 32.500 32.031 0.469 25195 8275 1 13 . 1 1 63 63 MET H H 63 7.340 7.340 7.470 -0.130 25195 8276 1 13 . 1 1 64 64 LEU N N 64 121.000 121.000 122.248 -1.248 25195 8277 1 13 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.035 -0.075 25195 8278 1 13 . 1 1 64 64 LEU C C 64 178.000 178.000 178.428 -0.428 25195 8279 1 13 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.181 0.119 25195 8280 1 13 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.481 -0.081 25195 8281 1 13 . 1 1 64 64 LEU H H 64 7.570 7.570 8.255 -0.685 25195 8282 1 13 . 1 1 65 65 VAL N N 65 117.200 117.200 119.927 -2.727 25195 8283 1 13 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.691 -0.261 25195 8284 1 13 . 1 1 65 65 VAL C C 65 178.500 178.500 177.717 0.783 25195 8285 1 13 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.224 1.376 25195 8286 1 13 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.426 0.574 25195 8287 1 13 . 1 1 65 65 VAL H H 65 8.250 8.250 8.712 -0.462 25195 8288 1 13 . 1 1 66 66 GLU N N 66 120.200 120.200 120.705 -0.505 25195 8289 1 13 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.090 0.250 25195 8290 1 13 . 1 1 66 66 GLU C C 66 178.500 178.500 179.237 -0.737 25195 8291 1 13 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.716 -1.016 25195 8292 1 13 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.567 -0.367 25195 8293 1 13 . 1 1 66 66 GLU H H 66 7.510 7.510 8.015 -0.505 25195 8294 1 13 . 1 1 67 67 LEU N N 67 121.100 121.100 119.317 1.783 25195 8295 1 13 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.102 -0.112 25195 8296 1 13 . 1 1 67 67 LEU C C 67 179.400 179.400 178.979 0.421 25195 8297 1 13 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.671 0.729 25195 8298 1 13 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.281 -0.481 25195 8299 1 13 . 1 1 67 67 LEU H H 67 8.480 8.480 8.020 0.460 25195 8300 1 13 . 1 1 68 68 LEU N N 68 118.500 118.500 118.299 0.201 25195 8301 1 13 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.275 -0.495 25195 8302 1 13 . 1 1 68 68 LEU C C 68 179.100 179.100 178.315 0.785 25195 8303 1 13 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.615 1.085 25195 8304 1 13 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.632 -0.232 25195 8305 1 13 . 1 1 68 68 LEU H H 68 8.250 8.250 8.251 -0.001 25195 8306 1 13 . 1 1 69 69 ARG N N 69 119.200 119.200 118.314 0.886 25195 8307 1 13 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.309 -0.259 25195 8308 1 13 . 1 1 69 69 ARG C C 69 180.400 180.400 178.145 2.255 25195 8309 1 13 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.279 1.221 25195 8310 1 13 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.047 0.053 25195 8311 1 13 . 1 1 69 69 ARG H H 69 7.950 7.950 8.342 -0.392 25195 8312 1 13 . 1 1 70 70 GLN N N 70 118.500 118.500 117.240 1.260 25195 8313 1 13 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.184 -0.154 25195 8314 1 13 . 1 1 70 70 GLN C C 70 179.900 179.900 178.044 1.856 25195 8315 1 13 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.650 1.250 25195 8316 1 13 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.491 0.909 25195 8317 1 13 . 1 1 70 70 GLN H H 70 8.450 8.450 7.867 0.583 25195 8318 1 13 . 1 1 71 71 MET N N 71 117.500 117.500 119.117 -1.617 25195 8319 1 13 . 1 1 71 71 MET HA H 71 4.140 4.140 4.110 0.030 25195 8320 1 13 . 1 1 71 71 MET C C 71 175.200 175.200 176.881 -1.681 25195 8321 1 13 . 1 1 71 71 MET CA C 71 58.200 58.200 58.373 -0.173 25195 8322 1 13 . 1 1 71 71 MET CB C 71 36.200 36.200 33.016 3.184 25195 8323 1 13 . 1 1 71 71 MET H H 71 8.380 8.380 7.912 0.468 25195 8324 1 13 . 1 1 72 72 ALA N N 72 120.400 120.400 117.462 2.938 25195 8325 1 13 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.514 -0.484 25195 8326 1 13 . 1 1 72 72 ALA C C 72 176.600 176.600 176.945 -0.345 25195 8327 1 13 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.016 0.784 25195 8328 1 13 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.557 -5.057 25195 8329 1 13 . 1 1 72 72 ALA H H 72 8.100 8.100 7.494 0.606 25195 8330 1 13 . 1 1 73 73 ILE N N 73 108.600 108.600 115.389 -6.789 25195 8331 1 13 . 1 1 73 73 ILE C C 73 174.700 174.700 174.435 0.265 25195 8332 1 13 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.828 0.072 25195 8333 1 13 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.431 2.169 25195 8334 1 13 . 1 1 73 73 ILE H H 73 7.240 7.240 7.905 -0.665 25195 8335 1 13 . 1 1 74 74 SER N N 74 116.500 116.500 117.423 -0.923 25195 8336 1 13 . 1 1 74 74 SER HA H 74 4.780 4.780 4.525 0.255 25195 8337 1 13 . 1 1 74 74 SER CA C 74 55.900 55.900 58.912 -3.012 25195 8338 1 13 . 1 1 74 74 SER CB C 74 63.500 63.500 62.749 0.750 25195 8339 1 13 . 1 1 74 74 SER H H 74 8.290 8.290 8.473 -0.183 25195 8340 1 13 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.370 0.390 25195 8341 1 13 . 1 1 75 75 PRO C C 75 178.200 178.200 177.947 0.253 25195 8342 1 13 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.470 1.130 25195 8343 1 13 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.814 0.286 25195 8344 1 13 . 1 1 76 76 ARG N N 76 114.400 114.400 118.834 -4.434 25195 8345 1 13 . 1 1 76 76 ARG C C 76 178.100 178.100 176.207 1.893 25195 8346 1 13 . 1 1 76 76 ARG CA C 76 60.000 60.000 59.093 0.907 25195 8347 1 13 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.599 -1.199 25195 8348 1 13 . 1 1 76 76 ARG H H 76 8.340 8.340 7.992 0.348 25195 8349 1 13 . 1 1 77 77 ALA N N 77 119.400 119.400 118.078 1.322 25195 8350 1 13 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.565 -0.335 25195 8351 1 13 . 1 1 77 77 ALA C C 77 178.100 178.100 176.483 1.617 25195 8352 1 13 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.248 2.552 25195 8353 1 13 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.265 -0.665 25195 8354 1 13 . 1 1 77 77 ALA H H 77 7.720 7.720 7.558 0.162 25195 8355 1 13 . 1 1 78 78 LEU N N 78 119.400 119.400 120.637 -1.237 25195 8356 1 13 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.499 -0.119 25195 8357 1 13 . 1 1 78 78 LEU C C 78 174.800 174.800 176.130 -1.330 25195 8358 1 13 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.450 -2.550 25195 8359 1 13 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.352 0.748 25195 8360 1 13 . 1 1 78 78 LEU H H 78 7.610 7.610 7.107 0.503 25195 8361 1 13 . 1 1 79 79 LEU N N 79 118.700 118.700 121.132 -2.432 25195 8362 1 13 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.960 0.690 25195 8363 1 13 . 1 1 79 79 LEU C C 79 178.900 178.900 176.693 2.207 25195 8364 1 13 . 1 1 79 79 LEU CA C 79 55.100 55.100 55.140 -0.040 25195 8365 1 13 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.352 5.248 25195 8366 1 13 . 1 1 79 79 LEU H H 79 7.220 7.220 7.400 -0.180 25195 8367 1 13 . 1 1 80 80 ARG N N 80 124.000 124.000 124.475 -0.475 25195 8368 1 13 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.058 0.162 25195 8369 1 13 . 1 1 80 80 ARG C C 80 174.800 174.800 176.822 -2.022 25195 8370 1 13 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.125 0.075 25195 8371 1 13 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.801 -0.101 25195 8372 1 13 . 1 1 80 80 ARG H H 80 8.780 8.780 8.056 0.724 25195 8373 1 13 . 1 1 81 81 ALA N N 81 124.400 124.400 122.865 1.535 25195 8374 1 13 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.244 -1.754 25195 8375 1 13 . 1 1 81 81 ALA C C 81 177.600 177.600 178.639 -1.039 25195 8376 1 13 . 1 1 81 81 ALA CA C 81 52.700 52.700 55.033 -2.333 25195 8377 1 13 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.008 -0.408 25195 8378 1 13 . 1 1 81 81 ALA H H 81 7.420 7.420 8.385 -0.965 25195 8379 1 13 . 1 1 82 82 LYS N N 82 114.500 114.500 117.371 -2.871 25195 8380 1 13 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.041 0.209 25195 8381 1 13 . 1 1 82 82 LYS C C 82 177.700 177.700 178.216 -0.516 25195 8382 1 13 . 1 1 82 82 LYS CA C 82 55.800 55.800 57.931 -2.131 25195 8383 1 13 . 1 1 82 82 LYS CB C 82 31.400 31.400 31.970 -0.570 25195 8384 1 13 . 1 1 82 82 LYS H H 82 8.190 8.190 8.584 -0.394 25195 8385 1 13 . 1 1 83 83 GLU N N 83 118.700 118.700 119.689 -0.989 25195 8386 1 13 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.342 -0.142 25195 8387 1 13 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.065 0.735 25195 8388 1 13 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.210 2.090 25195 8389 1 13 . 1 1 83 83 GLU H H 83 7.120 7.120 7.832 -0.712 25195 8390 1 13 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.899 0.311 25195 8391 1 13 . 1 1 84 84 ALA C C 84 180.900 180.900 179.099 1.801 25195 8392 1 13 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.823 -0.123 25195 8393 1 13 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.693 -0.893 25195 8394 1 13 . 1 1 85 85 ARG N N 85 115.800 115.800 118.568 -2.768 25195 8395 1 13 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.963 0.097 25195 8396 1 13 . 1 1 85 85 ARG C C 85 178.200 178.200 178.385 -0.185 25195 8397 1 13 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.666 -1.766 25195 8398 1 13 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.358 0.542 25195 8399 1 13 . 1 1 85 85 ARG H H 85 9.280 9.280 8.257 1.023 25195 8400 1 13 . 1 1 86 86 TYR N N 86 118.300 118.300 120.491 -2.191 25195 8401 1 13 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.074 -0.234 25195 8402 1 13 . 1 1 86 86 TYR C C 86 176.500 176.500 176.641 -0.141 25195 8403 1 13 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.739 -0.539 25195 8404 1 13 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.710 0.490 25195 8405 1 13 . 1 1 86 86 TYR H H 86 7.270 7.270 8.677 -1.407 25195 8406 1 13 . 1 1 87 87 ALA N N 87 120.500 120.500 120.132 0.368 25195 8407 1 13 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.933 0.407 25195 8408 1 13 . 1 1 87 87 ALA C C 87 181.900 181.900 180.353 1.547 25195 8409 1 13 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.946 0.454 25195 8410 1 13 . 1 1 87 87 ALA CB C 87 18.400 18.400 18.065 0.335 25195 8411 1 13 . 1 1 87 87 ALA H H 87 7.110 7.110 7.667 -0.557 25195 8412 1 13 . 1 1 88 88 GLU N N 88 119.500 119.500 120.223 -0.723 25195 8413 1 13 . 1 1 88 88 GLU HA H 88 3.980 3.980 3.979 0.001 25195 8414 1 13 . 1 1 88 88 GLU C C 88 178.800 178.800 178.474 0.326 25195 8415 1 13 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.885 0.415 25195 8416 1 13 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.677 0.823 25195 8417 1 13 . 1 1 88 88 GLU H H 88 8.240 8.240 8.191 0.049 25195 8418 1 13 . 1 1 89 89 LEU N N 89 115.100 115.100 117.156 -2.056 25195 8419 1 13 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.230 0.050 25195 8420 1 13 . 1 1 89 89 LEU C C 89 176.900 176.900 177.414 -0.514 25195 8421 1 13 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.497 -0.997 25195 8422 1 13 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.406 0.394 25195 8423 1 13 . 1 1 89 89 LEU H H 89 7.430 7.430 7.888 -0.458 25195 8424 1 13 . 1 1 90 90 GLY N N 90 108.200 108.200 106.082 2.118 25195 8425 1 13 . 1 1 90 90 GLY C C 90 176.900 176.900 175.706 1.194 25195 8426 1 13 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.526 1.474 25195 8427 1 13 . 1 1 90 90 GLY H H 90 7.690 7.690 7.746 -0.056 25195 8428 1 13 . 1 1 91 91 LEU N N 91 113.000 113.000 119.396 -6.396 25195 8429 1 13 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.043 -0.273 25195 8430 1 13 . 1 1 91 91 LEU CA C 91 55.700 55.700 56.658 -0.958 25195 8431 1 13 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.064 -1.764 25195 8432 1 13 . 1 1 91 91 LEU H H 91 7.000 7.000 7.384 -0.384 25195 8433 1 13 . 1 1 92 92 ASP N N 92 117.000 117.000 114.833 2.167 25195 8434 1 13 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.546 -0.106 25195 8435 1 13 . 1 1 92 92 ASP C C 92 175.400 175.400 176.127 -0.727 25195 8436 1 13 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.130 -0.330 25195 8437 1 13 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.428 0.272 25195 8438 1 13 . 1 1 92 92 ASP H H 92 8.510 8.510 7.829 0.681 25195 8439 1 13 . 1 1 93 93 ASP N N 93 120.600 120.600 120.926 -0.326 25195 8440 1 13 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.596 -0.016 25195 8441 1 13 . 1 1 93 93 ASP C C 93 176.000 176.000 176.969 -0.969 25195 8442 1 13 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.938 -1.838 25195 8443 1 13 . 1 1 93 93 ASP CB C 93 41.500 41.500 41.135 0.365 25195 8444 1 13 . 1 1 93 93 ASP H H 93 7.000 7.000 7.597 -0.597 25195 8445 1 13 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.288 0.012 25195 8446 1 13 . 1 1 94 94 PRO C C 94 178.100 178.100 177.765 0.335 25195 8447 1 13 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.738 -0.938 25195 8448 1 13 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.212 -0.012 25195 8449 1 13 . 1 1 95 95 ALA N N 95 121.900 121.900 119.395 2.505 25195 8450 1 13 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.191 0.079 25195 8451 1 13 . 1 1 95 95 ALA C C 95 178.400 178.400 178.322 0.078 25195 8452 1 13 . 1 1 95 95 ALA CA C 95 52.500 52.500 53.081 -0.581 25195 8453 1 13 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.435 0.765 25195 8454 1 13 . 1 1 95 95 ALA H H 95 8.610 8.610 8.079 0.531 25195 8455 1 13 . 1 1 96 96 LEU N N 96 117.600 117.600 118.949 -1.349 25195 8456 1 13 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.251 -0.081 25195 8457 1 13 . 1 1 96 96 LEU C C 96 177.600 177.600 177.040 0.560 25195 8458 1 13 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.445 0.055 25195 8459 1 13 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.388 0.012 25195 8460 1 13 . 1 1 96 96 LEU H H 96 7.010 7.010 7.450 -0.440 25195 8461 1 13 . 1 1 97 97 SER N N 97 119.200 119.200 111.770 7.430 25195 8462 1 13 . 1 1 97 97 SER HA H 97 4.360 4.360 4.708 -0.348 25195 8463 1 13 . 1 1 97 97 SER C C 97 174.400 174.400 174.262 0.138 25195 8464 1 13 . 1 1 97 97 SER CA C 97 57.300 57.300 57.153 0.147 25195 8465 1 13 . 1 1 97 97 SER CB C 97 64.900 64.900 66.015 -1.115 25195 8466 1 13 . 1 1 97 97 SER H H 97 8.620 8.620 8.111 0.509 25195 8467 1 13 . 1 1 98 98 ASP N N 98 122.000 122.000 122.951 -0.951 25195 8468 1 13 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.326 -0.056 25195 8469 1 13 . 1 1 98 98 ASP C C 98 178.100 178.100 178.147 -0.047 25195 8470 1 13 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.627 0.173 25195 8471 1 13 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.443 -0.343 25195 8472 1 13 . 1 1 98 98 ASP H H 98 9.050 9.050 8.919 0.131 25195 8473 1 13 . 1 1 99 99 GLU N N 99 116.100 116.100 119.743 -3.643 25195 8474 1 13 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.054 -0.264 25195 8475 1 13 . 1 1 99 99 GLU C C 99 176.800 176.800 179.090 -2.290 25195 8476 1 13 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.414 0.486 25195 8477 1 13 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.262 -0.062 25195 8478 1 13 . 1 1 99 99 GLU H H 99 8.250 8.250 8.773 -0.523 25195 8479 1 13 . 1 1 100 100 VAL N N 100 118.000 118.000 117.598 0.402 25195 8480 1 13 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.812 -0.002 25195 8481 1 13 . 1 1 100 100 VAL C C 100 179.200 179.200 178.093 1.107 25195 8482 1 13 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.670 -0.070 25195 8483 1 13 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.234 0.166 25195 8484 1 13 . 1 1 100 100 VAL H H 100 7.290 7.290 7.455 -0.165 25195 8485 1 13 . 1 1 101 101 LEU N N 101 120.100 120.100 121.012 -0.912 25195 8486 1 13 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.051 -0.101 25195 8487 1 13 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.008 0.092 25195 8488 1 13 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.770 0.730 25195 8489 1 13 . 1 1 101 101 LEU H H 101 7.610 7.610 7.967 -0.357 25195 8490 1 13 . 1 1 102 102 ILE N N 102 118.900 118.900 120.022 -1.122 25195 8491 1 13 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.560 -0.140 25195 8492 1 13 . 1 1 102 102 ILE C C 102 177.700 177.700 177.579 0.121 25195 8493 1 13 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.420 -0.020 25195 8494 1 13 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.706 0.794 25195 8495 1 13 . 1 1 102 102 ILE H H 102 8.260 8.260 8.581 -0.321 25195 8496 1 13 . 1 1 103 103 ASP N N 103 118.000 118.000 119.886 -1.886 25195 8497 1 13 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.230 0.090 25195 8498 1 13 . 1 1 103 103 ASP C C 103 179.400 179.400 178.429 0.971 25195 8499 1 13 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.750 0.050 25195 8500 1 13 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.820 -0.720 25195 8501 1 13 . 1 1 103 103 ASP H H 103 8.080 8.080 8.114 -0.034 25195 8502 1 13 . 1 1 104 104 ALA N N 104 121.500 121.500 121.294 0.206 25195 8503 1 13 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.066 0.004 25195 8504 1 13 . 1 1 104 104 ALA C C 104 179.900 179.900 179.243 0.657 25195 8505 1 13 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.994 0.406 25195 8506 1 13 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.791 -1.091 25195 8507 1 13 . 1 1 104 104 ALA H H 104 8.210 8.210 7.957 0.253 25195 8508 1 13 . 1 1 105 105 MET N N 105 115.800 115.800 119.372 -3.572 25195 8509 1 13 . 1 1 105 105 MET HA H 105 3.940 3.940 4.128 -0.188 25195 8510 1 13 . 1 1 105 105 MET C C 105 176.700 176.700 178.415 -1.715 25195 8511 1 13 . 1 1 105 105 MET CA C 105 59.500 59.500 59.004 0.496 25195 8512 1 13 . 1 1 105 105 MET CB C 105 35.400 35.400 33.001 2.399 25195 8513 1 13 . 1 1 105 105 MET H H 105 7.520 7.520 7.767 -0.247 25195 8514 1 13 . 1 1 106 106 ILE N N 106 118.100 118.100 116.207 1.893 25195 8515 1 13 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.882 0.138 25195 8516 1 13 . 1 1 106 106 ILE C C 106 178.200 178.200 177.501 0.699 25195 8517 1 13 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.153 -1.153 25195 8518 1 13 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.766 -0.066 25195 8519 1 13 . 1 1 106 106 ILE H H 106 7.730 7.730 8.395 -0.665 25195 8520 1 13 . 1 1 107 107 SER N N 107 112.400 112.400 113.388 -0.988 25195 8521 1 13 . 1 1 107 107 SER HA H 107 4.340 4.340 4.434 -0.094 25195 8522 1 13 . 1 1 107 107 SER C C 107 174.800 174.800 174.895 -0.095 25195 8523 1 13 . 1 1 107 107 SER CA C 107 60.400 60.400 59.402 0.998 25195 8524 1 13 . 1 1 107 107 SER CB C 107 64.000 64.000 64.025 -0.025 25195 8525 1 13 . 1 1 107 107 SER H H 107 8.160 8.160 7.438 0.722 25195 8526 1 13 . 1 1 108 108 ASN N N 108 116.400 116.400 119.891 -3.491 25195 8527 1 13 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.975 0.315 25195 8528 1 13 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.078 -0.978 25195 8529 1 13 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.688 1.512 25195 8530 1 13 . 1 1 108 108 ASN H H 108 7.700 7.700 7.761 -0.061 25195 8531 1 13 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.333 0.437 25195 8532 1 13 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.869 0.931 25195 8533 1 13 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.532 0.668 25195 8534 1 13 . 1 1 110 110 VAL N N 110 119.100 119.100 114.704 4.396 25195 8535 1 13 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.901 0.149 25195 8536 1 13 . 1 1 110 110 VAL C C 110 175.200 175.200 176.314 -1.114 25195 8537 1 13 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.917 0.683 25195 8538 1 13 . 1 1 110 110 VAL CB C 110 31.200 31.200 29.829 1.371 25195 8539 1 13 . 1 1 110 110 VAL H H 110 8.280 8.280 7.930 0.350 25195 8540 1 13 . 1 1 111 111 LEU N N 111 115.200 115.200 112.176 3.024 25195 8541 1 13 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.007 0.393 25195 8542 1 13 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.906 2.295 25195 8543 1 13 . 1 1 111 111 LEU H H 111 8.420 8.420 7.262 1.158 25195 8544 1 13 . 1 1 112 112 MET N N 112 118.900 118.900 120.893 -1.993 25195 8545 1 13 . 1 1 112 112 MET HA H 112 4.060 4.060 4.260 -0.200 25195 8546 1 13 . 1 1 112 112 MET CA C 112 56.500 56.500 56.740 -0.240 25195 8547 1 13 . 1 1 112 112 MET CB C 112 35.600 35.600 31.425 4.175 25195 8548 1 13 . 1 1 112 112 MET H H 112 7.940 7.940 7.694 0.246 25195 8549 1 13 . 1 1 113 113 ASN N N 113 125.800 125.800 121.993 3.807 25195 8550 1 13 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.711 -0.071 25195 8551 1 13 . 1 1 113 113 ASN C C 113 170.700 170.700 175.465 -4.765 25195 8552 1 13 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.105 -0.905 25195 8553 1 13 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.580 -1.680 25195 8554 1 13 . 1 1 113 113 ASN H H 113 9.140 9.140 8.267 0.873 25195 8555 1 13 . 1 1 114 114 ARG N N 114 113.200 113.200 120.940 -7.740 25195 8556 1 13 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.610 -4.810 25195 8557 1 13 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.696 2.104 25195 8558 1 13 . 1 1 114 114 ARG H H 114 7.970 7.970 8.153 -0.183 25195 8559 1 13 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.260 0.560 25195 8560 1 13 . 1 1 115 115 PRO C C 115 175.400 175.400 175.943 -0.543 25195 8561 1 13 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.481 0.119 25195 8562 1 13 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.554 2.846 25195 8563 1 13 . 1 1 116 116 VAL N N 116 124.500 124.500 126.857 -2.357 25195 8564 1 13 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.358 0.722 25195 8565 1 13 . 1 1 116 116 VAL C C 116 174.500 174.500 174.023 0.477 25195 8566 1 13 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.458 1.042 25195 8567 1 13 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.652 -2.652 25195 8568 1 13 . 1 1 116 116 VAL H H 116 7.840 7.840 8.892 -1.052 25195 8569 1 13 . 1 1 117 117 VAL N N 117 128.000 128.000 127.609 0.391 25195 8570 1 13 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.435 0.345 25195 8571 1 13 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.572 1.428 25195 8572 1 13 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.197 0.603 25195 8573 1 13 . 1 1 117 117 VAL H H 117 8.670 8.670 9.070 -0.400 25195 8574 1 13 . 1 1 118 118 VAL N N 118 125.700 125.700 129.769 -4.069 25195 8575 1 13 . 1 1 118 118 VAL C C 118 175.700 175.700 174.942 0.758 25195 8576 1 13 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.174 0.026 25195 8577 1 13 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.175 2.825 25195 8578 1 13 . 1 1 118 118 VAL H H 118 9.110 9.110 9.100 0.010 25195 8579 1 13 . 1 1 119 119 THR N N 119 118.500 118.500 118.663 -0.163 25195 8580 1 13 . 1 1 119 119 THR HA H 119 5.490 5.490 4.946 0.544 25195 8581 1 13 . 1 1 119 119 THR CA C 119 58.800 58.800 58.571 0.229 25195 8582 1 13 . 1 1 119 119 THR CB C 119 69.800 69.800 69.615 0.185 25195 8583 1 13 . 1 1 119 119 THR H H 119 9.370 9.370 8.624 0.746 25195 8584 1 13 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.498 -0.018 25195 8585 1 13 . 1 1 120 120 PRO C C 120 177.800 177.800 176.963 0.837 25195 8586 1 13 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.456 0.645 25195 8587 1 13 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.869 0.431 25195 8588 1 13 . 1 1 121 121 LYS N N 121 113.600 113.600 116.654 -3.054 25195 8589 1 13 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.423 -0.163 25195 8590 1 13 . 1 1 121 121 LYS C C 121 176.400 176.400 176.293 0.107 25195 8591 1 13 . 1 1 121 121 LYS CA C 121 57.200 57.200 56.128 1.072 25195 8592 1 13 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.569 0.230 25195 8593 1 13 . 1 1 121 121 LYS H H 121 8.360 8.360 8.185 0.175 25195 8594 1 13 . 1 1 122 122 GLY N N 122 108.400 108.400 107.224 1.176 25195 8595 1 13 . 1 1 122 122 GLY C C 122 169.500 169.500 172.362 -2.862 25195 8596 1 13 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.031 0.069 25195 8597 1 13 . 1 1 122 122 GLY H H 122 7.900 7.900 7.629 0.271 25195 8598 1 13 . 1 1 123 123 VAL N N 123 117.100 117.100 120.222 -3.122 25195 8599 1 13 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.736 0.724 25195 8600 1 13 . 1 1 123 123 VAL C C 123 176.100 176.100 174.464 1.636 25195 8601 1 13 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.148 -0.148 25195 8602 1 13 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.031 -0.230 25195 8603 1 13 . 1 1 123 123 VAL H H 123 8.080 8.080 8.260 -0.180 25195 8604 1 13 . 1 1 124 124 ARG N N 124 122.300 122.300 127.459 -5.159 25195 8605 1 13 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.529 0.131 25195 8606 1 13 . 1 1 124 124 ARG C C 124 174.800 174.800 173.811 0.989 25195 8607 1 13 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.285 0.115 25195 8608 1 13 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.075 1.825 25195 8609 1 13 . 1 1 124 124 ARG H H 124 8.510 8.510 8.688 -0.178 25195 8610 1 13 . 1 1 125 125 LEU N N 125 125.500 125.500 123.181 2.319 25195 8611 1 13 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.467 0.133 25195 8612 1 13 . 1 1 125 125 LEU C C 125 176.500 176.500 177.126 -0.626 25195 8613 1 13 . 1 1 125 125 LEU CA C 125 54.700 54.700 54.772 -0.071 25195 8614 1 13 . 1 1 125 125 LEU CB C 125 40.900 40.900 41.689 -0.789 25195 8615 1 13 . 1 1 125 125 LEU H H 125 8.860 8.860 8.654 0.206 25195 8616 1 13 . 1 1 126 126 CYS N N 126 129.700 129.700 122.741 6.959 25195 8617 1 13 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.181 0.309 25195 8618 1 13 . 1 1 126 126 CYS C C 126 172.000 172.000 174.562 -2.562 25195 8619 1 13 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.481 0.419 25195 8620 1 13 . 1 1 126 126 CYS CB C 126 27.300 27.300 28.213 -0.913 25195 8621 1 13 . 1 1 126 126 CYS H H 126 8.540 8.540 8.463 0.077 25195 8622 1 13 . 1 1 127 127 ARG N N 127 117.500 117.500 118.826 -1.326 25195 8623 1 13 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.665 -0.475 25195 8624 1 13 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.288 -0.088 25195 8625 1 13 . 1 1 127 127 ARG CB C 127 33.400 33.400 32.502 0.898 25195 8626 1 13 . 1 1 127 127 ARG H H 127 6.930 6.930 7.110 -0.180 25195 8627 1 13 . 1 1 128 128 PRO C C 128 177.100 177.100 177.101 -0.001 25195 8628 1 13 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.343 0.857 25195 8629 1 13 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.598 2.702 25195 8630 1 13 . 1 1 129 129 ALA N N 129 124.000 124.000 120.589 3.411 25195 8631 1 13 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.066 -0.216 25195 8632 1 13 . 1 1 129 129 ALA C C 129 177.700 177.700 180.063 -2.363 25195 8633 1 13 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.923 0.277 25195 8634 1 13 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.479 1.421 25195 8635 1 13 . 1 1 129 129 ALA H H 129 9.320 9.320 8.541 0.779 25195 8636 1 13 . 1 1 130 130 GLU N N 130 111.600 111.600 117.788 -6.188 25195 8637 1 13 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.031 -0.191 25195 8638 1 13 . 1 1 130 130 GLU C C 130 178.200 178.200 178.699 -0.499 25195 8639 1 13 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.386 1.115 25195 8640 1 13 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.421 -1.321 25195 8641 1 13 . 1 1 130 130 GLU H H 130 9.490 9.490 8.787 0.703 25195 8642 1 13 . 1 1 131 131 THR N N 131 116.100 116.100 114.123 1.977 25195 8643 1 13 . 1 1 131 131 THR HA H 131 4.040 4.040 4.073 -0.033 25195 8644 1 13 . 1 1 131 131 THR C C 131 175.800 175.800 176.627 -0.827 25195 8645 1 13 . 1 1 131 131 THR CA C 131 65.600 65.600 65.641 -0.041 25195 8646 1 13 . 1 1 131 131 THR CB C 131 69.800 69.800 68.825 0.975 25195 8647 1 13 . 1 1 131 131 THR H H 131 7.940 7.940 7.644 0.296 25195 8648 1 13 . 1 1 132 132 VAL N N 132 119.200 119.200 122.350 -3.150 25195 8649 1 13 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.688 0.192 25195 8650 1 13 . 1 1 132 132 VAL C C 132 176.500 176.500 177.201 -0.701 25195 8651 1 13 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.658 -1.558 25195 8652 1 13 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.490 0.910 25195 8653 1 13 . 1 1 132 132 VAL H H 132 8.130 8.130 7.619 0.511 25195 8654 1 13 . 1 1 133 133 GLN N N 133 118.500 118.500 118.073 0.427 25195 8655 1 13 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.117 -0.267 25195 8656 1 13 . 1 1 133 133 GLN C C 133 178.500 178.500 177.654 0.846 25195 8657 1 13 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.351 0.449 25195 8658 1 13 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.316 -0.316 25195 8659 1 13 . 1 1 133 133 GLN H H 133 7.690 7.690 8.127 -0.437 25195 8660 1 13 . 1 1 134 134 GLU N N 134 115.200 115.200 119.405 -4.205 25195 8661 1 13 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.178 -0.038 25195 8662 1 13 . 1 1 134 134 GLU C C 134 177.000 177.000 178.229 -1.229 25195 8663 1 13 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.902 -0.102 25195 8664 1 13 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.771 0.129 25195 8665 1 13 . 1 1 134 134 GLU H H 134 7.620 7.620 7.716 -0.096 25195 8666 1 13 . 1 1 135 135 LEU N N 135 115.600 115.600 119.990 -4.390 25195 8667 1 13 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.192 0.028 25195 8668 1 13 . 1 1 135 135 LEU C C 135 176.100 176.100 176.486 -0.386 25195 8669 1 13 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.547 -2.747 25195 8670 1 13 . 1 1 135 135 LEU CB C 135 43.300 43.300 43.063 0.237 25195 8671 1 13 . 1 1 135 135 LEU H H 135 7.740 7.740 7.847 -0.107 25195 8672 1 14 . 1 1 9 9 MET C C 9 176.700 176.700 174.070 2.630 25195 8673 1 14 . 1 1 9 9 MET CA C 9 55.600 55.600 55.789 -0.189 25195 8674 1 14 . 1 1 9 9 MET CB C 9 32.700 32.700 34.632 -1.932 25195 8675 1 14 . 1 1 10 10 GLY N N 10 109.800 109.800 110.864 -1.064 25195 8676 1 14 . 1 1 10 10 GLY C C 10 174.400 174.400 172.419 1.981 25195 8677 1 14 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.636 0.664 25195 8678 1 14 . 1 1 10 10 GLY H H 10 8.480 8.480 8.931 -0.451 25195 8679 1 14 . 1 1 11 11 THR N N 11 113.500 113.500 115.388 -1.888 25195 8680 1 14 . 1 1 11 11 THR HA H 11 4.330 4.330 5.049 -0.719 25195 8681 1 14 . 1 1 11 11 THR CA C 11 62.100 62.100 61.679 0.421 25195 8682 1 14 . 1 1 11 11 THR CB C 11 69.900 69.900 71.104 -1.204 25195 8683 1 14 . 1 1 11 11 THR H H 11 8.080 8.080 8.480 -0.400 25195 8684 1 14 . 1 1 12 12 LEU N N 12 123.900 123.900 122.325 1.575 25195 8685 1 14 . 1 1 12 12 LEU HA H 12 4.310 4.310 5.092 -0.782 25195 8686 1 14 . 1 1 12 12 LEU C C 12 177.700 177.700 175.243 2.457 25195 8687 1 14 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.204 1.596 25195 8688 1 14 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.859 -2.659 25195 8689 1 14 . 1 1 12 12 LEU H H 12 8.390 8.390 9.006 -0.616 25195 8690 1 14 . 1 1 13 13 GLU N N 13 121.300 121.300 119.908 1.392 25195 8691 1 14 . 1 1 13 13 GLU HA H 13 4.200 4.200 5.185 -0.985 25195 8692 1 14 . 1 1 13 13 GLU C C 13 176.500 176.500 174.419 2.081 25195 8693 1 14 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.361 1.739 25195 8694 1 14 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.899 -1.999 25195 8695 1 14 . 1 1 13 13 GLU H H 13 8.430 8.430 8.998 -0.568 25195 8696 1 14 . 1 1 14 14 ALA N N 14 124.100 124.100 122.915 1.185 25195 8697 1 14 . 1 1 14 14 ALA HA H 14 4.270 4.270 5.008 -0.738 25195 8698 1 14 . 1 1 14 14 ALA C C 14 177.900 177.900 175.536 2.364 25195 8699 1 14 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.848 0.952 25195 8700 1 14 . 1 1 14 14 ALA CB C 14 19.200 19.200 21.311 -2.111 25195 8701 1 14 . 1 1 14 14 ALA H H 14 8.270 8.270 8.590 -0.320 25195 8702 1 14 . 1 1 15 15 GLN N N 15 118.900 118.900 119.313 -0.413 25195 8703 1 14 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.926 -0.686 25195 8704 1 14 . 1 1 15 15 GLN C C 15 176.500 176.500 173.628 2.872 25195 8705 1 14 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.824 -0.024 25195 8706 1 14 . 1 1 15 15 GLN CB C 15 29.400 29.400 31.265 -1.865 25195 8707 1 14 . 1 1 15 15 GLN H H 15 8.360 8.360 8.936 -0.576 25195 8708 1 14 . 1 1 16 16 THR N N 16 114.900 114.900 117.614 -2.714 25195 8709 1 14 . 1 1 16 16 THR HA H 16 4.360 4.360 4.725 -0.365 25195 8710 1 14 . 1 1 16 16 THR C C 16 174.600 174.600 172.772 1.828 25195 8711 1 14 . 1 1 16 16 THR CA C 16 61.900 61.900 61.864 0.036 25195 8712 1 14 . 1 1 16 16 THR CB C 16 69.800 69.800 70.169 -0.369 25195 8713 1 14 . 1 1 16 16 THR H H 16 8.190 8.190 8.688 -0.498 25195 8714 1 14 . 1 1 17 17 GLN N N 17 122.100 122.100 120.871 1.229 25195 8715 1 14 . 1 1 17 17 GLN C C 17 176.100 176.100 173.833 2.267 25195 8716 1 14 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.449 0.251 25195 8717 1 14 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.921 -0.221 25195 8718 1 14 . 1 1 17 17 GLN H H 17 8.440 8.440 8.460 -0.020 25195 8719 1 14 . 1 1 18 18 GLY N N 18 110.100 110.100 108.688 1.412 25195 8720 1 14 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.917 -0.217 25195 8721 1 14 . 1 1 18 18 GLY H H 18 8.370 8.370 8.435 -0.065 25195 8722 1 14 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.615 -0.175 25195 8723 1 14 . 1 1 19 19 PRO C C 19 177.700 177.700 177.490 0.210 25195 8724 1 14 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.528 1.172 25195 8725 1 14 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.463 -0.063 25195 8726 1 14 . 1 1 20 20 GLY N N 20 109.200 109.200 107.979 1.221 25195 8727 1 14 . 1 1 20 20 GLY C C 20 174.400 174.400 173.806 0.594 25195 8728 1 14 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.853 0.547 25195 8729 1 14 . 1 1 20 20 GLY H H 20 8.620 8.620 8.555 0.065 25195 8730 1 14 . 1 1 21 21 SER N N 21 115.000 115.000 115.486 -0.486 25195 8731 1 14 . 1 1 21 21 SER HA H 21 4.420 4.420 4.578 -0.158 25195 8732 1 14 . 1 1 21 21 SER C C 21 174.600 174.600 173.988 0.612 25195 8733 1 14 . 1 1 21 21 SER CA C 21 58.600 58.600 57.390 1.210 25195 8734 1 14 . 1 1 21 21 SER CB C 21 64.100 64.100 63.490 0.610 25195 8735 1 14 . 1 1 21 21 SER H H 21 8.180 8.180 8.300 -0.120 25195 8736 1 14 . 1 1 22 22 MET N N 22 121.500 121.500 122.502 -1.002 25195 8737 1 14 . 1 1 22 22 MET HA H 22 4.440 4.440 4.740 -0.300 25195 8738 1 14 . 1 1 22 22 MET C C 22 175.100 175.100 175.079 0.021 25195 8739 1 14 . 1 1 22 22 MET CA C 22 55.600 55.600 55.686 -0.086 25195 8740 1 14 . 1 1 22 22 MET CB C 22 33.600 33.600 32.087 1.513 25195 8741 1 14 . 1 1 22 22 MET H H 22 8.340 8.340 8.325 0.015 25195 8742 1 14 . 1 1 23 23 ASP N N 23 123.000 123.000 124.656 -1.656 25195 8743 1 14 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.892 -0.282 25195 8744 1 14 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.876 0.924 25195 8745 1 14 . 1 1 23 23 ASP CB C 23 41.700 41.700 42.605 -0.905 25195 8746 1 14 . 1 1 23 23 ASP H H 23 8.170 8.170 8.423 -0.253 25195 8747 1 14 . 1 1 24 24 VAL N N 24 123.200 123.200 119.722 3.478 25195 8748 1 14 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.734 0.306 25195 8749 1 14 . 1 1 24 24 VAL C C 24 174.900 174.900 174.547 0.353 25195 8750 1 14 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.383 0.517 25195 8751 1 14 . 1 1 24 24 VAL CB C 24 35.100 35.100 35.449 -0.349 25195 8752 1 14 . 1 1 24 24 VAL H H 24 8.210 8.210 7.936 0.274 25195 8753 1 14 . 1 1 25 25 THR N N 25 124.200 124.200 120.773 3.427 25195 8754 1 14 . 1 1 25 25 THR HA H 25 5.310 5.310 4.872 0.438 25195 8755 1 14 . 1 1 25 25 THR C C 25 172.300 172.300 172.766 -0.466 25195 8756 1 14 . 1 1 25 25 THR CA C 25 61.800 61.800 60.902 0.898 25195 8757 1 14 . 1 1 25 25 THR CB C 25 71.600 71.600 71.238 0.362 25195 8758 1 14 . 1 1 25 25 THR H H 25 9.170 9.170 8.813 0.357 25195 8759 1 14 . 1 1 26 26 ILE N N 26 122.500 122.500 124.336 -1.836 25195 8760 1 14 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.302 0.968 25195 8761 1 14 . 1 1 26 26 ILE C C 26 172.200 172.200 173.911 -1.711 25195 8762 1 14 . 1 1 26 26 ILE CA C 26 57.700 57.700 59.528 -1.828 25195 8763 1 14 . 1 1 26 26 ILE CB C 26 42.300 42.300 41.220 1.080 25195 8764 1 14 . 1 1 26 26 ILE H H 26 8.910 8.910 8.793 0.117 25195 8765 1 14 . 1 1 27 27 TYR N N 27 129.400 129.400 126.751 2.649 25195 8766 1 14 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.276 -0.096 25195 8767 1 14 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.468 2.033 25195 8768 1 14 . 1 1 27 27 TYR CB C 27 37.100 37.100 38.447 -1.347 25195 8769 1 14 . 1 1 27 27 TYR H H 27 9.090 9.090 8.904 0.186 25195 8770 1 14 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.662 4.038 25195 8771 1 14 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.247 0.603 25195 8772 1 14 . 1 1 30 30 PRO C C 30 177.000 177.000 175.696 1.304 25195 8773 1 14 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.947 1.253 25195 8774 1 14 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.244 2.456 25195 8775 1 14 . 1 1 31 31 VAL N N 31 112.100 112.100 124.235 -12.135 25195 8776 1 14 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.168 -0.008 25195 8777 1 14 . 1 1 31 31 VAL C C 31 175.000 175.000 175.620 -0.620 25195 8778 1 14 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.513 1.487 25195 8779 1 14 . 1 1 31 31 VAL CB C 31 31.500 31.500 32.144 -0.644 25195 8780 1 14 . 1 1 31 31 VAL H H 31 7.290 7.290 8.196 -0.906 25195 8781 1 14 . 1 1 32 32 CYS N N 32 126.100 126.100 126.491 -0.391 25195 8782 1 14 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.109 0.251 25195 8783 1 14 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.912 -2.612 25195 8784 1 14 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.582 2.618 25195 8785 1 14 . 1 1 32 32 CYS H H 32 7.780 7.780 8.914 -1.134 25195 8786 1 14 . 1 1 33 33 GLY C C 33 177.400 177.400 176.086 1.314 25195 8787 1 14 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.852 0.848 25195 8788 1 14 . 1 1 34 34 THR N N 34 123.700 123.700 119.967 3.733 25195 8789 1 14 . 1 1 34 34 THR HA H 34 4.250 4.250 3.950 0.300 25195 8790 1 14 . 1 1 34 34 THR C C 34 175.600 175.600 176.279 -0.679 25195 8791 1 14 . 1 1 34 34 THR CA C 34 67.600 67.600 66.701 0.899 25195 8792 1 14 . 1 1 34 34 THR CB C 34 68.700 68.700 68.438 0.262 25195 8793 1 14 . 1 1 34 34 THR H H 34 9.110 9.110 8.016 1.094 25195 8794 1 14 . 1 1 35 35 SER N N 35 123.600 123.600 116.753 6.847 25195 8795 1 14 . 1 1 35 35 SER C C 35 177.900 177.900 176.723 1.177 25195 8796 1 14 . 1 1 35 35 SER CA C 35 63.800 63.800 61.472 2.328 25195 8797 1 14 . 1 1 35 35 SER CB C 35 63.800 63.800 63.033 0.766 25195 8798 1 14 . 1 1 35 35 SER H H 35 9.530 9.530 8.259 1.271 25195 8799 1 14 . 1 1 36 36 ARG N N 36 113.400 113.400 120.461 -7.061 25195 8800 1 14 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.113 -0.113 25195 8801 1 14 . 1 1 36 36 ARG C C 36 179.200 179.200 178.592 0.608 25195 8802 1 14 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.620 2.680 25195 8803 1 14 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.818 1.482 25195 8804 1 14 . 1 1 36 36 ARG H H 36 8.740 8.740 8.262 0.478 25195 8805 1 14 . 1 1 37 37 LYS N N 37 121.900 121.900 120.819 1.081 25195 8806 1 14 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.049 0.091 25195 8807 1 14 . 1 1 37 37 LYS C C 37 179.400 179.400 178.903 0.497 25195 8808 1 14 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.747 -0.047 25195 8809 1 14 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.265 0.335 25195 8810 1 14 . 1 1 37 37 LYS H H 37 7.980 7.980 7.949 0.031 25195 8811 1 14 . 1 1 38 38 VAL N N 38 120.900 120.900 119.800 1.100 25195 8812 1 14 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.663 -0.043 25195 8813 1 14 . 1 1 38 38 VAL C C 38 177.300 177.300 177.993 -0.693 25195 8814 1 14 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.410 0.890 25195 8815 1 14 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.280 0.620 25195 8816 1 14 . 1 1 38 38 VAL H H 38 8.670 8.670 8.061 0.609 25195 8817 1 14 . 1 1 39 39 LEU N N 39 120.200 120.200 119.403 0.797 25195 8818 1 14 . 1 1 39 39 LEU C C 39 178.300 178.300 179.291 -0.991 25195 8819 1 14 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.776 0.824 25195 8820 1 14 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.099 0.501 25195 8821 1 14 . 1 1 39 39 LEU H H 39 8.300 8.300 8.247 0.053 25195 8822 1 14 . 1 1 40 40 GLY N N 40 103.600 103.600 108.000 -4.400 25195 8823 1 14 . 1 1 40 40 GLY C C 40 176.600 176.600 176.315 0.285 25195 8824 1 14 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.061 0.339 25195 8825 1 14 . 1 1 40 40 GLY H H 40 8.050 8.050 8.251 -0.201 25195 8826 1 14 . 1 1 41 41 MET N N 41 122.300 122.300 121.660 0.640 25195 8827 1 14 . 1 1 41 41 MET HA H 41 4.030 4.030 4.120 -0.090 25195 8828 1 14 . 1 1 41 41 MET C C 41 179.200 179.200 178.821 0.379 25195 8829 1 14 . 1 1 41 41 MET CA C 41 59.900 59.900 58.352 1.548 25195 8830 1 14 . 1 1 41 41 MET CB C 41 33.600 33.600 32.118 1.482 25195 8831 1 14 . 1 1 41 41 MET H H 41 8.310 8.310 7.945 0.365 25195 8832 1 14 . 1 1 42 42 ILE N N 42 120.600 120.600 119.336 1.264 25195 8833 1 14 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.566 -0.026 25195 8834 1 14 . 1 1 42 42 ILE C C 42 177.600 177.600 178.088 -0.488 25195 8835 1 14 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.320 0.880 25195 8836 1 14 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.282 1.818 25195 8837 1 14 . 1 1 42 42 ILE H H 42 8.260 8.260 8.281 -0.021 25195 8838 1 14 . 1 1 43 43 ARG N N 43 117.200 117.200 119.409 -2.209 25195 8839 1 14 . 1 1 43 43 ARG C C 43 182.100 182.100 179.041 3.059 25195 8840 1 14 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.179 -0.079 25195 8841 1 14 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.213 -0.813 25195 8842 1 14 . 1 1 43 43 ARG H H 43 7.810 7.810 8.054 -0.244 25195 8843 1 14 . 1 1 44 44 GLU N N 44 122.200 122.200 117.659 4.541 25195 8844 1 14 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.198 -0.148 25195 8845 1 14 . 1 1 44 44 GLU C C 44 177.600 177.600 177.650 -0.050 25195 8846 1 14 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.106 0.994 25195 8847 1 14 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.110 0.390 25195 8848 1 14 . 1 1 44 44 GLU H H 44 8.670 8.670 8.011 0.659 25195 8849 1 14 . 1 1 45 45 ALA N N 45 120.400 120.400 120.030 0.370 25195 8850 1 14 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.162 0.258 25195 8851 1 14 . 1 1 45 45 ALA C C 45 177.300 177.300 177.971 -0.671 25195 8852 1 14 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.120 -0.620 25195 8853 1 14 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.600 -1.200 25195 8854 1 14 . 1 1 45 45 ALA H H 45 7.430 7.430 7.805 -0.375 25195 8855 1 14 . 1 1 46 46 GLY N N 46 106.000 106.000 104.781 1.219 25195 8856 1 14 . 1 1 46 46 GLY C C 46 173.800 173.800 173.812 -0.012 25195 8857 1 14 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.648 0.652 25195 8858 1 14 . 1 1 46 46 GLY H H 46 8.080 8.080 7.771 0.309 25195 8859 1 14 . 1 1 47 47 ILE N N 47 121.500 121.500 120.354 1.146 25195 8860 1 14 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.362 -0.262 25195 8861 1 14 . 1 1 47 47 ILE C C 47 174.100 174.100 174.249 -0.149 25195 8862 1 14 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.979 0.721 25195 8863 1 14 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.579 0.521 25195 8864 1 14 . 1 1 47 47 ILE H H 47 7.180 7.180 7.712 -0.532 25195 8865 1 14 . 1 1 48 48 GLU N N 48 127.000 127.000 124.269 2.731 25195 8866 1 14 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.647 0.553 25195 8867 1 14 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.209 -0.909 25195 8868 1 14 . 1 1 48 48 GLU CB C 48 29.400 29.400 31.547 -2.147 25195 8869 1 14 . 1 1 48 48 GLU H H 48 8.440 8.440 8.692 -0.252 25195 8870 1 14 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.578 0.062 25195 8871 1 14 . 1 1 49 49 PRO C C 49 175.200 175.200 176.030 -0.830 25195 8872 1 14 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.373 -0.473 25195 8873 1 14 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.615 0.085 25195 8874 1 14 . 1 1 50 50 HIS N N 50 119.000 119.000 117.210 1.790 25195 8875 1 14 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.857 -0.157 25195 8876 1 14 . 1 1 50 50 HIS C C 50 174.200 174.200 175.086 -0.886 25195 8877 1 14 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.735 0.665 25195 8878 1 14 . 1 1 50 50 HIS CB C 50 29.100 29.100 32.304 -3.204 25195 8879 1 14 . 1 1 50 50 HIS H H 50 9.160 9.160 8.376 0.784 25195 8880 1 14 . 1 1 51 51 VAL N N 51 128.400 128.400 120.961 7.439 25195 8881 1 14 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.225 0.015 25195 8882 1 14 . 1 1 51 51 VAL C C 51 175.600 175.600 174.853 0.747 25195 8883 1 14 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.899 -0.699 25195 8884 1 14 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.275 -0.075 25195 8885 1 14 . 1 1 51 51 VAL H H 51 8.760 8.760 8.613 0.147 25195 8886 1 14 . 1 1 52 52 ILE N N 52 129.400 129.400 128.332 1.068 25195 8887 1 14 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.554 -0.334 25195 8888 1 14 . 1 1 52 52 ILE C C 52 176.500 176.500 175.048 1.452 25195 8889 1 14 . 1 1 52 52 ILE CA C 52 60.300 60.300 59.969 0.331 25195 8890 1 14 . 1 1 52 52 ILE CB C 52 38.200 38.200 40.770 -2.570 25195 8891 1 14 . 1 1 52 52 ILE H H 52 9.000 9.000 8.925 0.075 25195 8892 1 14 . 1 1 53 53 GLU N N 53 129.900 129.900 126.938 2.962 25195 8893 1 14 . 1 1 53 53 GLU HA H 53 5.130 5.130 5.078 0.052 25195 8894 1 14 . 1 1 53 53 GLU C C 53 174.200 174.200 175.376 -1.176 25195 8895 1 14 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.312 0.589 25195 8896 1 14 . 1 1 53 53 GLU CB C 53 28.300 28.300 30.877 -2.577 25195 8897 1 14 . 1 1 53 53 GLU H H 53 9.180 9.180 8.779 0.401 25195 8898 1 14 . 1 1 54 54 TYR N N 54 124.200 124.200 126.776 -2.576 25195 8899 1 14 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.643 0.557 25195 8900 1 14 . 1 1 54 54 TYR C C 54 174.200 174.200 173.503 0.697 25195 8901 1 14 . 1 1 54 54 TYR CA C 54 54.100 54.100 58.278 -4.178 25195 8902 1 14 . 1 1 54 54 TYR CB C 54 38.000 38.000 39.664 -1.664 25195 8903 1 14 . 1 1 54 54 TYR H H 54 8.460 8.460 8.686 -0.226 25195 8904 1 14 . 1 1 55 55 MET N N 55 121.900 121.900 126.447 -4.547 25195 8905 1 14 . 1 1 55 55 MET H H 55 7.660 7.660 8.111 -0.451 25195 8906 1 14 . 1 1 56 56 LYS C C 56 176.700 176.700 175.450 1.250 25195 8907 1 14 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.588 0.312 25195 8908 1 14 . 1 1 56 56 LYS CB C 56 29.200 29.200 34.504 -5.304 25195 8909 1 14 . 1 1 57 57 THR N N 57 114.700 114.700 117.026 -2.326 25195 8910 1 14 . 1 1 57 57 THR HA H 57 4.720 4.720 4.627 0.093 25195 8911 1 14 . 1 1 57 57 THR CB C 57 70.500 70.500 69.542 0.958 25195 8912 1 14 . 1 1 57 57 THR H H 57 7.940 7.940 7.648 0.292 25195 8913 1 14 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.604 0.096 25195 8914 1 14 . 1 1 58 58 PRO C C 58 177.400 177.400 175.663 1.737 25195 8915 1 14 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.772 0.028 25195 8916 1 14 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.309 0.291 25195 8917 1 14 . 1 1 59 59 LEU N N 59 125.300 125.300 117.664 7.636 25195 8918 1 14 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.796 -0.216 25195 8919 1 14 . 1 1 59 59 LEU CB C 59 42.300 42.300 40.643 1.657 25195 8920 1 14 . 1 1 59 59 LEU H H 59 8.760 8.760 8.011 0.749 25195 8921 1 14 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.594 -0.084 25195 8922 1 14 . 1 1 60 60 PRO C C 60 178.400 178.400 177.556 0.844 25195 8923 1 14 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.151 -0.052 25195 8924 1 14 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.694 -0.394 25195 8925 1 14 . 1 1 61 61 ARG N N 61 125.800 125.800 120.820 4.980 25195 8926 1 14 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.878 -0.178 25195 8927 1 14 . 1 1 61 61 ARG C C 61 177.800 177.800 177.844 -0.044 25195 8928 1 14 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.649 1.151 25195 8929 1 14 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.292 1.108 25195 8930 1 14 . 1 1 61 61 ARG H H 61 8.980 8.980 8.721 0.259 25195 8931 1 14 . 1 1 62 62 ASP N N 62 113.300 113.300 119.586 -6.286 25195 8932 1 14 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.362 -0.122 25195 8933 1 14 . 1 1 62 62 ASP C C 62 179.100 179.100 178.563 0.537 25195 8934 1 14 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.398 -0.397 25195 8935 1 14 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.467 -0.766 25195 8936 1 14 . 1 1 62 62 ASP H H 62 8.820 8.820 8.381 0.439 25195 8937 1 14 . 1 1 63 63 MET N N 63 118.800 118.800 117.499 1.301 25195 8938 1 14 . 1 1 63 63 MET HA H 63 4.460 4.460 4.159 0.301 25195 8939 1 14 . 1 1 63 63 MET C C 63 177.700 177.700 178.614 -0.914 25195 8940 1 14 . 1 1 63 63 MET CA C 63 57.200 57.200 58.180 -0.980 25195 8941 1 14 . 1 1 63 63 MET CB C 63 32.500 32.500 31.784 0.716 25195 8942 1 14 . 1 1 63 63 MET H H 63 7.340 7.340 8.140 -0.800 25195 8943 1 14 . 1 1 64 64 LEU N N 64 121.000 121.000 120.566 0.434 25195 8944 1 14 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.124 -0.164 25195 8945 1 14 . 1 1 64 64 LEU C C 64 178.000 178.000 178.922 -0.922 25195 8946 1 14 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.100 0.200 25195 8947 1 14 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.614 -0.214 25195 8948 1 14 . 1 1 64 64 LEU H H 64 7.570 7.570 7.912 -0.342 25195 8949 1 14 . 1 1 65 65 VAL N N 65 117.200 117.200 120.380 -3.180 25195 8950 1 14 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.587 -0.157 25195 8951 1 14 . 1 1 65 65 VAL C C 65 178.500 178.500 178.371 0.129 25195 8952 1 14 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.013 0.587 25195 8953 1 14 . 1 1 65 65 VAL CB C 65 32.000 32.000 30.871 1.129 25195 8954 1 14 . 1 1 65 65 VAL H H 65 8.250 8.250 8.424 -0.174 25195 8955 1 14 . 1 1 66 66 GLU N N 66 120.200 120.200 120.258 -0.058 25195 8956 1 14 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.087 0.253 25195 8957 1 14 . 1 1 66 66 GLU C C 66 178.500 178.500 179.356 -0.856 25195 8958 1 14 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.388 -0.688 25195 8959 1 14 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.742 -0.542 25195 8960 1 14 . 1 1 66 66 GLU H H 66 7.510 7.510 7.898 -0.388 25195 8961 1 14 . 1 1 67 67 LEU N N 67 121.100 121.100 120.774 0.326 25195 8962 1 14 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.115 -0.125 25195 8963 1 14 . 1 1 67 67 LEU C C 67 179.400 179.400 178.469 0.931 25195 8964 1 14 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.341 0.059 25195 8965 1 14 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.261 -0.461 25195 8966 1 14 . 1 1 67 67 LEU H H 67 8.480 8.480 7.916 0.564 25195 8967 1 14 . 1 1 68 68 LEU N N 68 118.500 118.500 117.001 1.499 25195 8968 1 14 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.193 -0.413 25195 8969 1 14 . 1 1 68 68 LEU C C 68 179.100 179.100 178.272 0.828 25195 8970 1 14 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.996 0.704 25195 8971 1 14 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.275 0.126 25195 8972 1 14 . 1 1 68 68 LEU H H 68 8.250 8.250 8.282 -0.032 25195 8973 1 14 . 1 1 69 69 ARG N N 69 119.200 119.200 118.373 0.827 25195 8974 1 14 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.306 -0.256 25195 8975 1 14 . 1 1 69 69 ARG C C 69 180.400 180.400 178.326 2.074 25195 8976 1 14 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.390 1.110 25195 8977 1 14 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.855 0.245 25195 8978 1 14 . 1 1 69 69 ARG H H 69 7.950 7.950 8.188 -0.238 25195 8979 1 14 . 1 1 70 70 GLN N N 70 118.500 118.500 117.478 1.022 25195 8980 1 14 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.138 -0.108 25195 8981 1 14 . 1 1 70 70 GLN C C 70 179.900 179.900 178.094 1.806 25195 8982 1 14 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.676 1.224 25195 8983 1 14 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.695 0.705 25195 8984 1 14 . 1 1 70 70 GLN H H 70 8.450 8.450 7.760 0.690 25195 8985 1 14 . 1 1 71 71 MET N N 71 117.500 117.500 118.207 -0.707 25195 8986 1 14 . 1 1 71 71 MET HA H 71 4.140 4.140 4.083 0.057 25195 8987 1 14 . 1 1 71 71 MET C C 71 175.200 175.200 176.988 -1.788 25195 8988 1 14 . 1 1 71 71 MET CA C 71 58.200 58.200 58.580 -0.380 25195 8989 1 14 . 1 1 71 71 MET CB C 71 36.200 36.200 33.099 3.101 25195 8990 1 14 . 1 1 71 71 MET H H 71 8.380 8.380 7.875 0.505 25195 8991 1 14 . 1 1 72 72 ALA N N 72 120.400 120.400 117.608 2.792 25195 8992 1 14 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.522 -0.492 25195 8993 1 14 . 1 1 72 72 ALA C C 72 176.600 176.600 176.970 -0.370 25195 8994 1 14 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.051 0.749 25195 8995 1 14 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.810 -5.310 25195 8996 1 14 . 1 1 72 72 ALA H H 72 8.100 8.100 7.505 0.595 25195 8997 1 14 . 1 1 73 73 ILE N N 73 108.600 108.600 114.766 -6.166 25195 8998 1 14 . 1 1 73 73 ILE C C 73 174.700 174.700 174.782 -0.082 25195 8999 1 14 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.860 0.040 25195 9000 1 14 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.277 2.323 25195 9001 1 14 . 1 1 73 73 ILE H H 73 7.240 7.240 7.878 -0.637 25195 9002 1 14 . 1 1 74 74 SER N N 74 116.500 116.500 118.081 -1.581 25195 9003 1 14 . 1 1 74 74 SER HA H 74 4.780 4.780 4.582 0.198 25195 9004 1 14 . 1 1 74 74 SER CA C 74 55.900 55.900 58.621 -2.721 25195 9005 1 14 . 1 1 74 74 SER CB C 74 63.500 63.500 62.607 0.893 25195 9006 1 14 . 1 1 74 74 SER H H 74 8.290 8.290 8.613 -0.323 25195 9007 1 14 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.432 0.328 25195 9008 1 14 . 1 1 75 75 PRO C C 75 178.200 178.200 177.589 0.611 25195 9009 1 14 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.702 0.898 25195 9010 1 14 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.971 0.129 25195 9011 1 14 . 1 1 76 76 ARG N N 76 114.400 114.400 117.218 -2.818 25195 9012 1 14 . 1 1 76 76 ARG C C 76 178.100 178.100 176.718 1.382 25195 9013 1 14 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.758 1.242 25195 9014 1 14 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.672 -0.272 25195 9015 1 14 . 1 1 76 76 ARG H H 76 8.340 8.340 8.094 0.246 25195 9016 1 14 . 1 1 77 77 ALA N N 77 119.400 119.400 119.242 0.158 25195 9017 1 14 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.537 -0.307 25195 9018 1 14 . 1 1 77 77 ALA C C 77 178.100 178.100 176.809 1.291 25195 9019 1 14 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.058 2.742 25195 9020 1 14 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.241 -0.641 25195 9021 1 14 . 1 1 77 77 ALA H H 77 7.720 7.720 7.511 0.209 25195 9022 1 14 . 1 1 78 78 LEU N N 78 119.400 119.400 120.169 -0.769 25195 9023 1 14 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.348 0.032 25195 9024 1 14 . 1 1 78 78 LEU C C 78 174.800 174.800 176.695 -1.895 25195 9025 1 14 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.099 -2.199 25195 9026 1 14 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.092 1.008 25195 9027 1 14 . 1 1 78 78 LEU H H 78 7.610 7.610 7.183 0.427 25195 9028 1 14 . 1 1 79 79 LEU N N 79 118.700 118.700 120.360 -1.660 25195 9029 1 14 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.950 0.700 25195 9030 1 14 . 1 1 79 79 LEU C C 79 178.900 178.900 176.755 2.145 25195 9031 1 14 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.971 0.129 25195 9032 1 14 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.469 5.131 25195 9033 1 14 . 1 1 79 79 LEU H H 79 7.220 7.220 7.647 -0.427 25195 9034 1 14 . 1 1 80 80 ARG N N 80 124.000 124.000 124.236 -0.236 25195 9035 1 14 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.064 0.155 25195 9036 1 14 . 1 1 80 80 ARG C C 80 174.800 174.800 177.397 -2.597 25195 9037 1 14 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.637 -0.437 25195 9038 1 14 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.708 -0.008 25195 9039 1 14 . 1 1 80 80 ARG H H 80 8.780 8.780 7.919 0.861 25195 9040 1 14 . 1 1 81 81 ALA N N 81 124.400 124.400 123.003 1.397 25195 9041 1 14 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.216 -1.726 25195 9042 1 14 . 1 1 81 81 ALA C C 81 177.600 177.600 178.361 -0.761 25195 9043 1 14 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.687 -1.987 25195 9044 1 14 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.837 -0.237 25195 9045 1 14 . 1 1 81 81 ALA H H 81 7.420 7.420 8.584 -1.164 25195 9046 1 14 . 1 1 82 82 LYS N N 82 114.500 114.500 117.797 -3.297 25195 9047 1 14 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.094 0.156 25195 9048 1 14 . 1 1 82 82 LYS C C 82 177.700 177.700 178.103 -0.403 25195 9049 1 14 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.410 -2.610 25195 9050 1 14 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.218 -0.818 25195 9051 1 14 . 1 1 82 82 LYS H H 82 8.190 8.190 8.146 0.044 25195 9052 1 14 . 1 1 83 83 GLU N N 83 118.700 118.700 120.003 -1.303 25195 9053 1 14 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.352 -0.152 25195 9054 1 14 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.188 0.612 25195 9055 1 14 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.391 1.909 25195 9056 1 14 . 1 1 83 83 GLU H H 83 7.120 7.120 7.883 -0.763 25195 9057 1 14 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.891 0.319 25195 9058 1 14 . 1 1 84 84 ALA C C 84 180.900 180.900 179.252 1.648 25195 9059 1 14 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.817 -0.117 25195 9060 1 14 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.887 -1.087 25195 9061 1 14 . 1 1 85 85 ARG N N 85 115.800 115.800 119.019 -3.219 25195 9062 1 14 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.964 0.096 25195 9063 1 14 . 1 1 85 85 ARG C C 85 178.200 178.200 177.924 0.276 25195 9064 1 14 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.980 -2.080 25195 9065 1 14 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.766 0.134 25195 9066 1 14 . 1 1 85 85 ARG H H 85 9.280 9.280 8.119 1.161 25195 9067 1 14 . 1 1 86 86 TYR N N 86 118.300 118.300 119.837 -1.537 25195 9068 1 14 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.061 -0.221 25195 9069 1 14 . 1 1 86 86 TYR C C 86 176.500 176.500 176.785 -0.285 25195 9070 1 14 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.462 -0.262 25195 9071 1 14 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.857 0.343 25195 9072 1 14 . 1 1 86 86 TYR H H 86 7.270 7.270 8.668 -1.398 25195 9073 1 14 . 1 1 87 87 ALA N N 87 120.500 120.500 119.867 0.633 25195 9074 1 14 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.609 0.731 25195 9075 1 14 . 1 1 87 87 ALA C C 87 181.900 181.900 180.323 1.577 25195 9076 1 14 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.946 0.454 25195 9077 1 14 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.950 0.450 25195 9078 1 14 . 1 1 87 87 ALA H H 87 7.110 7.110 7.666 -0.556 25195 9079 1 14 . 1 1 88 88 GLU N N 88 119.500 119.500 120.086 -0.586 25195 9080 1 14 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.011 -0.031 25195 9081 1 14 . 1 1 88 88 GLU C C 88 178.800 178.800 178.511 0.289 25195 9082 1 14 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.752 0.548 25195 9083 1 14 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.460 1.040 25195 9084 1 14 . 1 1 88 88 GLU H H 88 8.240 8.240 8.155 0.085 25195 9085 1 14 . 1 1 89 89 LEU N N 89 115.100 115.100 117.195 -2.095 25195 9086 1 14 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.211 0.069 25195 9087 1 14 . 1 1 89 89 LEU C C 89 176.900 176.900 177.464 -0.564 25195 9088 1 14 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.535 -1.035 25195 9089 1 14 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.329 0.471 25195 9090 1 14 . 1 1 89 89 LEU H H 89 7.430 7.430 7.899 -0.469 25195 9091 1 14 . 1 1 90 90 GLY N N 90 108.200 108.200 105.960 2.240 25195 9092 1 14 . 1 1 90 90 GLY C C 90 176.900 176.900 175.818 1.082 25195 9093 1 14 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.575 1.425 25195 9094 1 14 . 1 1 90 90 GLY H H 90 7.690 7.690 7.734 -0.044 25195 9095 1 14 . 1 1 91 91 LEU N N 91 113.000 113.000 120.046 -7.046 25195 9096 1 14 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.038 -0.268 25195 9097 1 14 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.445 -1.745 25195 9098 1 14 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.176 -1.876 25195 9099 1 14 . 1 1 91 91 LEU H H 91 7.000 7.000 7.398 -0.398 25195 9100 1 14 . 1 1 92 92 ASP N N 92 117.000 117.000 114.995 2.005 25195 9101 1 14 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.438 0.002 25195 9102 1 14 . 1 1 92 92 ASP C C 92 175.400 175.400 176.638 -1.238 25195 9103 1 14 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.046 -0.246 25195 9104 1 14 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.207 0.493 25195 9105 1 14 . 1 1 92 92 ASP H H 92 8.510 8.510 7.792 0.718 25195 9106 1 14 . 1 1 93 93 ASP N N 93 120.600 120.600 121.407 -0.807 25195 9107 1 14 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.591 -0.011 25195 9108 1 14 . 1 1 93 93 ASP C C 93 176.000 176.000 177.126 -1.126 25195 9109 1 14 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.127 -1.027 25195 9110 1 14 . 1 1 93 93 ASP CB C 93 41.500 41.500 41.845 -0.345 25195 9111 1 14 . 1 1 93 93 ASP H H 93 7.000 7.000 7.630 -0.630 25195 9112 1 14 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.326 -0.026 25195 9113 1 14 . 1 1 94 94 PRO C C 94 178.100 178.100 176.783 1.317 25195 9114 1 14 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.835 -0.035 25195 9115 1 14 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.817 0.383 25195 9116 1 14 . 1 1 95 95 ALA N N 95 121.900 121.900 120.178 1.722 25195 9117 1 14 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.280 -0.010 25195 9118 1 14 . 1 1 95 95 ALA C C 95 178.400 178.400 177.705 0.695 25195 9119 1 14 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.407 0.093 25195 9120 1 14 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.811 0.389 25195 9121 1 14 . 1 1 95 95 ALA H H 95 8.610 8.610 7.992 0.618 25195 9122 1 14 . 1 1 96 96 LEU N N 96 117.600 117.600 119.426 -1.826 25195 9123 1 14 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.168 0.002 25195 9124 1 14 . 1 1 96 96 LEU C C 96 177.600 177.600 177.091 0.509 25195 9125 1 14 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.560 -0.060 25195 9126 1 14 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.318 0.082 25195 9127 1 14 . 1 1 96 96 LEU H H 96 7.010 7.010 7.623 -0.613 25195 9128 1 14 . 1 1 97 97 SER N N 97 119.200 119.200 112.800 6.400 25195 9129 1 14 . 1 1 97 97 SER HA H 97 4.360 4.360 4.810 -0.450 25195 9130 1 14 . 1 1 97 97 SER C C 97 174.400 174.400 174.609 -0.209 25195 9131 1 14 . 1 1 97 97 SER CA C 97 57.300 57.300 57.316 -0.016 25195 9132 1 14 . 1 1 97 97 SER CB C 97 64.900 64.900 65.776 -0.876 25195 9133 1 14 . 1 1 97 97 SER H H 97 8.620 8.620 8.093 0.527 25195 9134 1 14 . 1 1 98 98 ASP N N 98 122.000 122.000 122.254 -0.254 25195 9135 1 14 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.350 -0.080 25195 9136 1 14 . 1 1 98 98 ASP C C 98 178.100 178.100 177.928 0.172 25195 9137 1 14 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.414 0.386 25195 9138 1 14 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.563 -0.463 25195 9139 1 14 . 1 1 98 98 ASP H H 98 9.050 9.050 8.846 0.204 25195 9140 1 14 . 1 1 99 99 GLU N N 99 116.100 116.100 120.642 -4.542 25195 9141 1 14 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.044 -0.254 25195 9142 1 14 . 1 1 99 99 GLU C C 99 176.800 176.800 179.004 -2.204 25195 9143 1 14 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.715 0.185 25195 9144 1 14 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.451 -0.251 25195 9145 1 14 . 1 1 99 99 GLU H H 99 8.250 8.250 8.651 -0.401 25195 9146 1 14 . 1 1 100 100 VAL N N 100 118.000 118.000 116.023 1.977 25195 9147 1 14 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.789 0.021 25195 9148 1 14 . 1 1 100 100 VAL C C 100 179.200 179.200 178.107 1.093 25195 9149 1 14 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.288 0.312 25195 9150 1 14 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.522 -0.122 25195 9151 1 14 . 1 1 100 100 VAL H H 100 7.290 7.290 7.503 -0.213 25195 9152 1 14 . 1 1 101 101 LEU N N 101 120.100 120.100 120.724 -0.624 25195 9153 1 14 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.038 -0.088 25195 9154 1 14 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.967 0.133 25195 9155 1 14 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.853 0.647 25195 9156 1 14 . 1 1 101 101 LEU H H 101 7.610 7.610 7.854 -0.244 25195 9157 1 14 . 1 1 102 102 ILE N N 102 118.900 118.900 120.173 -1.273 25195 9158 1 14 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.529 -0.109 25195 9159 1 14 . 1 1 102 102 ILE C C 102 177.700 177.700 177.841 -0.141 25195 9160 1 14 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.160 0.240 25195 9161 1 14 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.613 0.887 25195 9162 1 14 . 1 1 102 102 ILE H H 102 8.260 8.260 8.661 -0.401 25195 9163 1 14 . 1 1 103 103 ASP N N 103 118.000 118.000 119.682 -1.682 25195 9164 1 14 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.256 0.064 25195 9165 1 14 . 1 1 103 103 ASP C C 103 179.400 179.400 178.639 0.761 25195 9166 1 14 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.552 0.248 25195 9167 1 14 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.278 -0.178 25195 9168 1 14 . 1 1 103 103 ASP H H 103 8.080 8.080 8.101 -0.021 25195 9169 1 14 . 1 1 104 104 ALA N N 104 121.500 121.500 122.048 -0.548 25195 9170 1 14 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.169 -0.099 25195 9171 1 14 . 1 1 104 104 ALA C C 104 179.900 179.900 179.507 0.393 25195 9172 1 14 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.809 0.591 25195 9173 1 14 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.434 -0.734 25195 9174 1 14 . 1 1 104 104 ALA H H 104 8.210 8.210 8.051 0.159 25195 9175 1 14 . 1 1 105 105 MET N N 105 115.800 115.800 119.411 -3.611 25195 9176 1 14 . 1 1 105 105 MET HA H 105 3.940 3.940 4.112 -0.172 25195 9177 1 14 . 1 1 105 105 MET C C 105 176.700 176.700 178.440 -1.740 25195 9178 1 14 . 1 1 105 105 MET CA C 105 59.500 59.500 59.011 0.489 25195 9179 1 14 . 1 1 105 105 MET CB C 105 35.400 35.400 32.959 2.441 25195 9180 1 14 . 1 1 105 105 MET H H 105 7.520 7.520 7.828 -0.308 25195 9181 1 14 . 1 1 106 106 ILE N N 106 118.100 118.100 115.970 2.130 25195 9182 1 14 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.877 0.143 25195 9183 1 14 . 1 1 106 106 ILE C C 106 178.200 178.200 177.466 0.734 25195 9184 1 14 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.321 -1.321 25195 9185 1 14 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.759 -0.059 25195 9186 1 14 . 1 1 106 106 ILE H H 106 7.730 7.730 8.344 -0.614 25195 9187 1 14 . 1 1 107 107 SER N N 107 112.400 112.400 113.219 -0.819 25195 9188 1 14 . 1 1 107 107 SER HA H 107 4.340 4.340 4.427 -0.087 25195 9189 1 14 . 1 1 107 107 SER C C 107 174.800 174.800 174.806 -0.006 25195 9190 1 14 . 1 1 107 107 SER CA C 107 60.400 60.400 59.239 1.161 25195 9191 1 14 . 1 1 107 107 SER CB C 107 64.000 64.000 64.087 -0.087 25195 9192 1 14 . 1 1 107 107 SER H H 107 8.160 8.160 7.424 0.736 25195 9193 1 14 . 1 1 108 108 ASN N N 108 116.400 116.400 120.163 -3.763 25195 9194 1 14 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.029 0.261 25195 9195 1 14 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.565 -1.465 25195 9196 1 14 . 1 1 108 108 ASN CB C 108 40.200 40.200 39.117 1.083 25195 9197 1 14 . 1 1 108 108 ASN H H 108 7.700 7.700 7.723 -0.023 25195 9198 1 14 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.412 0.358 25195 9199 1 14 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.016 0.784 25195 9200 1 14 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.821 0.379 25195 9201 1 14 . 1 1 110 110 VAL N N 110 119.100 119.100 117.475 1.625 25195 9202 1 14 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.816 0.234 25195 9203 1 14 . 1 1 110 110 VAL C C 110 175.200 175.200 176.305 -1.105 25195 9204 1 14 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.892 0.708 25195 9205 1 14 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.753 -0.552 25195 9206 1 14 . 1 1 110 110 VAL H H 110 8.280 8.280 7.929 0.351 25195 9207 1 14 . 1 1 111 111 LEU N N 111 115.200 115.200 112.788 2.412 25195 9208 1 14 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.393 0.007 25195 9209 1 14 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.899 2.301 25195 9210 1 14 . 1 1 111 111 LEU H H 111 8.420 8.420 7.242 1.178 25195 9211 1 14 . 1 1 112 112 MET N N 112 118.900 118.900 120.987 -2.087 25195 9212 1 14 . 1 1 112 112 MET HA H 112 4.060 4.060 4.267 -0.207 25195 9213 1 14 . 1 1 112 112 MET CA C 112 56.500 56.500 56.646 -0.146 25195 9214 1 14 . 1 1 112 112 MET CB C 112 35.600 35.600 31.831 3.769 25195 9215 1 14 . 1 1 112 112 MET H H 112 7.940 7.940 7.727 0.213 25195 9216 1 14 . 1 1 113 113 ASN N N 113 125.800 125.800 123.037 2.763 25195 9217 1 14 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.764 -0.124 25195 9218 1 14 . 1 1 113 113 ASN C C 113 170.700 170.700 175.607 -4.907 25195 9219 1 14 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.163 -0.962 25195 9220 1 14 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.612 -1.712 25195 9221 1 14 . 1 1 113 113 ASN H H 113 9.140 9.140 8.317 0.823 25195 9222 1 14 . 1 1 114 114 ARG N N 114 113.200 113.200 120.636 -7.436 25195 9223 1 14 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.756 -4.956 25195 9224 1 14 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.707 2.093 25195 9225 1 14 . 1 1 114 114 ARG H H 114 7.970 7.970 8.153 -0.183 25195 9226 1 14 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.854 -0.034 25195 9227 1 14 . 1 1 115 115 PRO C C 115 175.400 175.400 176.005 -0.605 25195 9228 1 14 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.545 0.055 25195 9229 1 14 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.259 2.141 25195 9230 1 14 . 1 1 116 116 VAL N N 116 124.500 124.500 127.630 -3.130 25195 9231 1 14 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.457 0.623 25195 9232 1 14 . 1 1 116 116 VAL C C 116 174.500 174.500 174.345 0.155 25195 9233 1 14 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.401 1.099 25195 9234 1 14 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.255 -2.255 25195 9235 1 14 . 1 1 116 116 VAL H H 116 7.840 7.840 8.783 -0.943 25195 9236 1 14 . 1 1 117 117 VAL N N 117 128.000 128.000 128.376 -0.376 25195 9237 1 14 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.291 0.489 25195 9238 1 14 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.302 0.698 25195 9239 1 14 . 1 1 117 117 VAL CB C 117 34.800 34.800 33.910 0.890 25195 9240 1 14 . 1 1 117 117 VAL H H 117 8.670 8.670 9.165 -0.495 25195 9241 1 14 . 1 1 118 118 VAL N N 118 125.700 125.700 130.014 -4.314 25195 9242 1 14 . 1 1 118 118 VAL C C 118 175.700 175.700 174.374 1.326 25195 9243 1 14 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.340 -0.140 25195 9244 1 14 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.681 2.319 25195 9245 1 14 . 1 1 118 118 VAL H H 118 9.110 9.110 9.099 0.011 25195 9246 1 14 . 1 1 119 119 THR N N 119 118.500 118.500 118.903 -0.403 25195 9247 1 14 . 1 1 119 119 THR HA H 119 5.490 5.490 4.969 0.521 25195 9248 1 14 . 1 1 119 119 THR CA C 119 58.800 58.800 58.558 0.242 25195 9249 1 14 . 1 1 119 119 THR CB C 119 69.800 69.800 70.742 -0.942 25195 9250 1 14 . 1 1 119 119 THR H H 119 9.370 9.370 8.744 0.626 25195 9251 1 14 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.471 0.009 25195 9252 1 14 . 1 1 120 120 PRO C C 120 177.800 177.800 176.922 0.878 25195 9253 1 14 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.279 0.821 25195 9254 1 14 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.651 0.649 25195 9255 1 14 . 1 1 121 121 LYS N N 121 113.600 113.600 116.888 -3.288 25195 9256 1 14 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.463 -0.203 25195 9257 1 14 . 1 1 121 121 LYS C C 121 176.400 176.400 176.295 0.105 25195 9258 1 14 . 1 1 121 121 LYS CA C 121 57.200 57.200 56.070 1.130 25195 9259 1 14 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.545 0.255 25195 9260 1 14 . 1 1 121 121 LYS H H 121 8.360 8.360 8.189 0.171 25195 9261 1 14 . 1 1 122 122 GLY N N 122 108.400 108.400 106.977 1.423 25195 9262 1 14 . 1 1 122 122 GLY C C 122 169.500 169.500 172.104 -2.604 25195 9263 1 14 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.202 -0.102 25195 9264 1 14 . 1 1 122 122 GLY H H 122 7.900 7.900 7.554 0.346 25195 9265 1 14 . 1 1 123 123 VAL N N 123 117.100 117.100 119.631 -2.531 25195 9266 1 14 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.020 0.440 25195 9267 1 14 . 1 1 123 123 VAL C C 123 176.100 176.100 175.118 0.982 25195 9268 1 14 . 1 1 123 123 VAL CA C 123 60.000 60.000 61.259 -1.259 25195 9269 1 14 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.220 -0.420 25195 9270 1 14 . 1 1 123 123 VAL H H 123 8.080 8.080 8.444 -0.364 25195 9271 1 14 . 1 1 124 124 ARG N N 124 122.300 122.300 123.511 -1.211 25195 9272 1 14 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.569 0.091 25195 9273 1 14 . 1 1 124 124 ARG C C 124 174.800 174.800 174.033 0.767 25195 9274 1 14 . 1 1 124 124 ARG CA C 124 54.400 54.400 53.774 0.626 25195 9275 1 14 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.938 0.962 25195 9276 1 14 . 1 1 124 124 ARG H H 124 8.510 8.510 8.638 -0.128 25195 9277 1 14 . 1 1 125 125 LEU N N 125 125.500 125.500 121.528 3.972 25195 9278 1 14 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.336 0.264 25195 9279 1 14 . 1 1 125 125 LEU C C 125 176.500 176.500 177.822 -1.322 25195 9280 1 14 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.378 -1.678 25195 9281 1 14 . 1 1 125 125 LEU CB C 125 40.900 40.900 41.119 -0.219 25195 9282 1 14 . 1 1 125 125 LEU H H 125 8.860 8.860 8.624 0.236 25195 9283 1 14 . 1 1 126 126 CYS N N 126 129.700 129.700 122.181 7.519 25195 9284 1 14 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.181 0.309 25195 9285 1 14 . 1 1 126 126 CYS C C 126 172.000 172.000 174.120 -2.120 25195 9286 1 14 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.628 0.272 25195 9287 1 14 . 1 1 126 126 CYS CB C 126 27.300 27.300 28.047 -0.747 25195 9288 1 14 . 1 1 126 126 CYS H H 126 8.540 8.540 8.548 -0.008 25195 9289 1 14 . 1 1 127 127 ARG N N 127 117.500 117.500 118.973 -1.473 25195 9290 1 14 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.691 -0.501 25195 9291 1 14 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.186 0.014 25195 9292 1 14 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.407 1.993 25195 9293 1 14 . 1 1 127 127 ARG H H 127 6.930 6.930 7.195 -0.265 25195 9294 1 14 . 1 1 128 128 PRO C C 128 177.100 177.100 177.086 0.014 25195 9295 1 14 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.355 0.845 25195 9296 1 14 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.711 2.589 25195 9297 1 14 . 1 1 129 129 ALA N N 129 124.000 124.000 120.646 3.354 25195 9298 1 14 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.011 -0.161 25195 9299 1 14 . 1 1 129 129 ALA C C 129 177.700 177.700 179.785 -2.085 25195 9300 1 14 . 1 1 129 129 ALA CA C 129 55.200 55.200 55.196 0.004 25195 9301 1 14 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.395 1.505 25195 9302 1 14 . 1 1 129 129 ALA H H 129 9.320 9.320 8.574 0.746 25195 9303 1 14 . 1 1 130 130 GLU N N 130 111.600 111.600 117.313 -5.713 25195 9304 1 14 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.085 -0.245 25195 9305 1 14 . 1 1 130 130 GLU C C 130 178.200 178.200 179.046 -0.846 25195 9306 1 14 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.501 0.999 25195 9307 1 14 . 1 1 130 130 GLU CB C 130 28.100 28.100 28.412 -0.312 25195 9308 1 14 . 1 1 130 130 GLU H H 130 9.490 9.490 8.918 0.572 25195 9309 1 14 . 1 1 131 131 THR N N 131 116.100 116.100 115.855 0.245 25195 9310 1 14 . 1 1 131 131 THR HA H 131 4.040 4.040 4.006 0.034 25195 9311 1 14 . 1 1 131 131 THR C C 131 175.800 175.800 176.480 -0.680 25195 9312 1 14 . 1 1 131 131 THR CA C 131 65.600 65.600 65.744 -0.144 25195 9313 1 14 . 1 1 131 131 THR CB C 131 69.800 69.800 68.104 1.696 25195 9314 1 14 . 1 1 131 131 THR H H 131 7.940 7.940 7.512 0.428 25195 9315 1 14 . 1 1 132 132 VAL N N 132 119.200 119.200 122.263 -3.063 25195 9316 1 14 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.700 0.180 25195 9317 1 14 . 1 1 132 132 VAL C C 132 176.500 176.500 177.452 -0.952 25195 9318 1 14 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.753 -1.653 25195 9319 1 14 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.582 0.818 25195 9320 1 14 . 1 1 132 132 VAL H H 132 8.130 8.130 7.676 0.454 25195 9321 1 14 . 1 1 133 133 GLN N N 133 118.500 118.500 118.866 -0.366 25195 9322 1 14 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.008 -0.158 25195 9323 1 14 . 1 1 133 133 GLN C C 133 178.500 178.500 178.113 0.387 25195 9324 1 14 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.868 -0.068 25195 9325 1 14 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.545 -0.545 25195 9326 1 14 . 1 1 133 133 GLN H H 133 7.690 7.690 7.900 -0.210 25195 9327 1 14 . 1 1 134 134 GLU N N 134 115.200 115.200 118.097 -2.897 25195 9328 1 14 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.144 -0.004 25195 9329 1 14 . 1 1 134 134 GLU C C 134 177.000 177.000 178.635 -1.635 25195 9330 1 14 . 1 1 134 134 GLU CA C 134 57.800 57.800 58.205 -0.405 25195 9331 1 14 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.075 -0.175 25195 9332 1 14 . 1 1 134 134 GLU H H 134 7.620 7.620 7.774 -0.154 25195 9333 1 14 . 1 1 135 135 LEU N N 135 115.600 115.600 120.038 -4.438 25195 9334 1 14 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.144 0.076 25195 9335 1 14 . 1 1 135 135 LEU C C 135 176.100 176.100 176.811 -0.711 25195 9336 1 14 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.255 -2.455 25195 9337 1 14 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.665 0.635 25195 9338 1 14 . 1 1 135 135 LEU H H 135 7.740 7.740 7.693 0.047 25195 9339 1 15 . 1 1 9 9 MET C C 9 176.700 176.700 176.106 0.594 25195 9340 1 15 . 1 1 9 9 MET CA C 9 55.600 55.600 55.030 0.570 25195 9341 1 15 . 1 1 9 9 MET CB C 9 32.700 32.700 34.307 -1.607 25195 9342 1 15 . 1 1 10 10 GLY N N 10 109.800 109.800 107.366 2.434 25195 9343 1 15 . 1 1 10 10 GLY C C 10 174.400 174.400 172.962 1.438 25195 9344 1 15 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.934 0.366 25195 9345 1 15 . 1 1 10 10 GLY H H 10 8.480 8.480 8.918 -0.438 25195 9346 1 15 . 1 1 11 11 THR N N 11 113.500 113.500 113.513 -0.013 25195 9347 1 15 . 1 1 11 11 THR HA H 11 4.330 4.330 5.039 -0.709 25195 9348 1 15 . 1 1 11 11 THR CA C 11 62.100 62.100 61.571 0.529 25195 9349 1 15 . 1 1 11 11 THR CB C 11 69.900 69.900 70.648 -0.748 25195 9350 1 15 . 1 1 11 11 THR H H 11 8.080 8.080 8.257 -0.177 25195 9351 1 15 . 1 1 12 12 LEU N N 12 123.900 123.900 122.203 1.697 25195 9352 1 15 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.957 -0.647 25195 9353 1 15 . 1 1 12 12 LEU C C 12 177.700 177.700 175.517 2.183 25195 9354 1 15 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.044 1.756 25195 9355 1 15 . 1 1 12 12 LEU CB C 12 42.200 42.200 45.015 -2.815 25195 9356 1 15 . 1 1 12 12 LEU H H 12 8.390 8.390 8.800 -0.410 25195 9357 1 15 . 1 1 13 13 GLU N N 13 121.300 121.300 120.068 1.232 25195 9358 1 15 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.554 -0.354 25195 9359 1 15 . 1 1 13 13 GLU C C 13 176.500 176.500 174.604 1.896 25195 9360 1 15 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.592 1.508 25195 9361 1 15 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.356 -1.456 25195 9362 1 15 . 1 1 13 13 GLU H H 13 8.430 8.430 8.346 0.084 25195 9363 1 15 . 1 1 14 14 ALA N N 14 124.100 124.100 122.980 1.120 25195 9364 1 15 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.760 -0.489 25195 9365 1 15 . 1 1 14 14 ALA C C 14 177.900 177.900 176.369 1.531 25195 9366 1 15 . 1 1 14 14 ALA CA C 14 52.800 52.800 52.144 0.656 25195 9367 1 15 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.205 -1.005 25195 9368 1 15 . 1 1 14 14 ALA H H 14 8.270 8.270 8.535 -0.265 25195 9369 1 15 . 1 1 15 15 GLN N N 15 118.900 118.900 117.998 0.902 25195 9370 1 15 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.493 -0.253 25195 9371 1 15 . 1 1 15 15 GLN C C 15 176.500 176.500 174.980 1.520 25195 9372 1 15 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.231 0.569 25195 9373 1 15 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.752 -1.352 25195 9374 1 15 . 1 1 15 15 GLN H H 15 8.360 8.360 8.332 0.028 25195 9375 1 15 . 1 1 16 16 THR N N 16 114.900 114.900 114.782 0.118 25195 9376 1 15 . 1 1 16 16 THR HA H 16 4.360 4.360 4.682 -0.322 25195 9377 1 15 . 1 1 16 16 THR C C 16 174.600 174.600 173.778 0.822 25195 9378 1 15 . 1 1 16 16 THR CA C 16 61.900 61.900 61.558 0.342 25195 9379 1 15 . 1 1 16 16 THR CB C 16 69.800 69.800 69.981 -0.181 25195 9380 1 15 . 1 1 16 16 THR H H 16 8.190 8.190 8.029 0.161 25195 9381 1 15 . 1 1 17 17 GLN N N 17 122.100 122.100 119.921 2.179 25195 9382 1 15 . 1 1 17 17 GLN C C 17 176.100 176.100 175.876 0.224 25195 9383 1 15 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.431 0.269 25195 9384 1 15 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.494 0.206 25195 9385 1 15 . 1 1 17 17 GLN H H 17 8.440 8.440 8.409 0.031 25195 9386 1 15 . 1 1 18 18 GLY N N 18 110.100 110.100 106.989 3.111 25195 9387 1 15 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.797 -0.097 25195 9388 1 15 . 1 1 18 18 GLY H H 18 8.370 8.370 8.311 0.059 25195 9389 1 15 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.527 -0.087 25195 9390 1 15 . 1 1 19 19 PRO C C 19 177.700 177.700 176.446 1.254 25195 9391 1 15 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.583 1.117 25195 9392 1 15 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.411 -0.011 25195 9393 1 15 . 1 1 20 20 GLY N N 20 109.200 109.200 106.754 2.446 25195 9394 1 15 . 1 1 20 20 GLY C C 20 174.400 174.400 173.809 0.591 25195 9395 1 15 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.238 0.162 25195 9396 1 15 . 1 1 20 20 GLY H H 20 8.620 8.620 8.202 0.418 25195 9397 1 15 . 1 1 21 21 SER N N 21 115.000 115.000 117.505 -2.505 25195 9398 1 15 . 1 1 21 21 SER HA H 21 4.420 4.420 4.564 -0.144 25195 9399 1 15 . 1 1 21 21 SER C C 21 174.600 174.600 174.299 0.301 25195 9400 1 15 . 1 1 21 21 SER CA C 21 58.600 58.600 58.104 0.496 25195 9401 1 15 . 1 1 21 21 SER CB C 21 64.100 64.100 63.563 0.537 25195 9402 1 15 . 1 1 21 21 SER H H 21 8.180 8.180 8.634 -0.454 25195 9403 1 15 . 1 1 22 22 MET N N 22 121.500 121.500 119.912 1.588 25195 9404 1 15 . 1 1 22 22 MET HA H 22 4.440 4.440 4.742 -0.302 25195 9405 1 15 . 1 1 22 22 MET C C 22 175.100 175.100 174.991 0.109 25195 9406 1 15 . 1 1 22 22 MET CA C 22 55.600 55.600 54.968 0.632 25195 9407 1 15 . 1 1 22 22 MET CB C 22 33.600 33.600 31.370 2.230 25195 9408 1 15 . 1 1 22 22 MET H H 22 8.340 8.340 7.906 0.434 25195 9409 1 15 . 1 1 23 23 ASP N N 23 123.000 123.000 124.207 -1.207 25195 9410 1 15 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.777 -0.167 25195 9411 1 15 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.976 0.824 25195 9412 1 15 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.837 -0.137 25195 9413 1 15 . 1 1 23 23 ASP H H 23 8.170 8.170 8.517 -0.347 25195 9414 1 15 . 1 1 24 24 VAL N N 24 123.200 123.200 120.559 2.641 25195 9415 1 15 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.655 0.385 25195 9416 1 15 . 1 1 24 24 VAL C C 24 174.900 174.900 174.752 0.148 25195 9417 1 15 . 1 1 24 24 VAL CA C 24 60.900 60.900 61.093 -0.193 25195 9418 1 15 . 1 1 24 24 VAL CB C 24 35.100 35.100 35.850 -0.750 25195 9419 1 15 . 1 1 24 24 VAL H H 24 8.210 8.210 7.668 0.542 25195 9420 1 15 . 1 1 25 25 THR N N 25 124.200 124.200 122.435 1.765 25195 9421 1 15 . 1 1 25 25 THR HA H 25 5.310 5.310 4.915 0.395 25195 9422 1 15 . 1 1 25 25 THR C C 25 172.300 172.300 172.949 -0.649 25195 9423 1 15 . 1 1 25 25 THR CA C 25 61.800 61.800 61.138 0.662 25195 9424 1 15 . 1 1 25 25 THR CB C 25 71.600 71.600 70.523 1.077 25195 9425 1 15 . 1 1 25 25 THR H H 25 9.170 9.170 8.713 0.457 25195 9426 1 15 . 1 1 26 26 ILE N N 26 122.500 122.500 125.253 -2.753 25195 9427 1 15 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.390 0.880 25195 9428 1 15 . 1 1 26 26 ILE C C 26 172.200 172.200 173.989 -1.789 25195 9429 1 15 . 1 1 26 26 ILE CA C 26 57.700 57.700 59.648 -1.948 25195 9430 1 15 . 1 1 26 26 ILE CB C 26 42.300 42.300 41.393 0.907 25195 9431 1 15 . 1 1 26 26 ILE H H 26 8.910 8.910 9.083 -0.173 25195 9432 1 15 . 1 1 27 27 TYR N N 27 129.400 129.400 126.111 3.289 25195 9433 1 15 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.748 -0.568 25195 9434 1 15 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.048 2.452 25195 9435 1 15 . 1 1 27 27 TYR CB C 27 37.100 37.100 38.933 -1.833 25195 9436 1 15 . 1 1 27 27 TYR H H 27 9.090 9.090 9.079 0.011 25195 9437 1 15 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.995 3.705 25195 9438 1 15 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.333 0.517 25195 9439 1 15 . 1 1 30 30 PRO C C 30 177.000 177.000 175.553 1.447 25195 9440 1 15 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.054 1.146 25195 9441 1 15 . 1 1 30 30 PRO CB C 30 32.700 32.700 29.994 2.705 25195 9442 1 15 . 1 1 31 31 VAL N N 31 112.100 112.100 122.594 -10.494 25195 9443 1 15 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.340 -0.180 25195 9444 1 15 . 1 1 31 31 VAL C C 31 175.000 175.000 175.017 -0.017 25195 9445 1 15 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.061 1.939 25195 9446 1 15 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.610 -2.110 25195 9447 1 15 . 1 1 31 31 VAL H H 31 7.290 7.290 8.183 -0.893 25195 9448 1 15 . 1 1 32 32 CYS N N 32 126.100 126.100 126.962 -0.862 25195 9449 1 15 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.161 0.199 25195 9450 1 15 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.256 -1.956 25195 9451 1 15 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.970 3.230 25195 9452 1 15 . 1 1 32 32 CYS H H 32 7.780 7.780 9.012 -1.232 25195 9453 1 15 . 1 1 33 33 GLY C C 33 177.400 177.400 175.953 1.447 25195 9454 1 15 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.893 0.807 25195 9455 1 15 . 1 1 34 34 THR N N 34 123.700 123.700 118.276 5.424 25195 9456 1 15 . 1 1 34 34 THR HA H 34 4.250 4.250 4.116 0.134 25195 9457 1 15 . 1 1 34 34 THR C C 34 175.600 175.600 176.422 -0.822 25195 9458 1 15 . 1 1 34 34 THR CA C 34 67.600 67.600 65.701 1.899 25195 9459 1 15 . 1 1 34 34 THR CB C 34 68.700 68.700 68.453 0.247 25195 9460 1 15 . 1 1 34 34 THR H H 34 9.110 9.110 8.105 1.005 25195 9461 1 15 . 1 1 35 35 SER N N 35 123.600 123.600 118.266 5.334 25195 9462 1 15 . 1 1 35 35 SER C C 35 177.900 177.900 176.434 1.466 25195 9463 1 15 . 1 1 35 35 SER CA C 35 63.800 63.800 61.497 2.303 25195 9464 1 15 . 1 1 35 35 SER CB C 35 63.800 63.800 62.931 0.869 25195 9465 1 15 . 1 1 35 35 SER H H 35 9.530 9.530 8.321 1.209 25195 9466 1 15 . 1 1 36 36 ARG N N 36 113.400 113.400 121.043 -7.643 25195 9467 1 15 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.123 -0.123 25195 9468 1 15 . 1 1 36 36 ARG C C 36 179.200 179.200 178.161 1.039 25195 9469 1 15 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.280 3.020 25195 9470 1 15 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.738 1.562 25195 9471 1 15 . 1 1 36 36 ARG H H 36 8.740 8.740 7.980 0.760 25195 9472 1 15 . 1 1 37 37 LYS N N 37 121.900 121.900 120.150 1.750 25195 9473 1 15 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.046 0.094 25195 9474 1 15 . 1 1 37 37 LYS C C 37 179.400 179.400 178.916 0.484 25195 9475 1 15 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.685 0.014 25195 9476 1 15 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.181 0.418 25195 9477 1 15 . 1 1 37 37 LYS H H 37 7.980 7.980 7.760 0.220 25195 9478 1 15 . 1 1 38 38 VAL N N 38 120.900 120.900 119.923 0.977 25195 9479 1 15 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.728 -0.108 25195 9480 1 15 . 1 1 38 38 VAL C C 38 177.300 177.300 177.542 -0.242 25195 9481 1 15 . 1 1 38 38 VAL CA C 38 67.300 67.300 65.619 1.681 25195 9482 1 15 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.363 0.537 25195 9483 1 15 . 1 1 38 38 VAL H H 38 8.670 8.670 7.876 0.794 25195 9484 1 15 . 1 1 39 39 LEU N N 39 120.200 120.200 119.660 0.540 25195 9485 1 15 . 1 1 39 39 LEU C C 39 178.300 178.300 179.016 -0.716 25195 9486 1 15 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.966 0.634 25195 9487 1 15 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.250 0.350 25195 9488 1 15 . 1 1 39 39 LEU H H 39 8.300 8.300 8.230 0.070 25195 9489 1 15 . 1 1 40 40 GLY N N 40 103.600 103.600 107.078 -3.478 25195 9490 1 15 . 1 1 40 40 GLY C C 40 176.600 176.600 176.383 0.217 25195 9491 1 15 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.060 0.340 25195 9492 1 15 . 1 1 40 40 GLY H H 40 8.050 8.050 8.444 -0.394 25195 9493 1 15 . 1 1 41 41 MET N N 41 122.300 122.300 121.905 0.395 25195 9494 1 15 . 1 1 41 41 MET HA H 41 4.030 4.030 4.152 -0.122 25195 9495 1 15 . 1 1 41 41 MET C C 41 179.200 179.200 178.837 0.363 25195 9496 1 15 . 1 1 41 41 MET CA C 41 59.900 59.900 57.940 1.960 25195 9497 1 15 . 1 1 41 41 MET CB C 41 33.600 33.600 31.929 1.671 25195 9498 1 15 . 1 1 41 41 MET H H 41 8.310 8.310 7.815 0.495 25195 9499 1 15 . 1 1 42 42 ILE N N 42 120.600 120.600 119.606 0.994 25195 9500 1 15 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.569 -0.029 25195 9501 1 15 . 1 1 42 42 ILE C C 42 177.600 177.600 178.081 -0.481 25195 9502 1 15 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.139 1.061 25195 9503 1 15 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.365 1.735 25195 9504 1 15 . 1 1 42 42 ILE H H 42 8.260 8.260 8.181 0.079 25195 9505 1 15 . 1 1 43 43 ARG N N 43 117.200 117.200 119.389 -2.189 25195 9506 1 15 . 1 1 43 43 ARG C C 43 182.100 182.100 178.962 3.138 25195 9507 1 15 . 1 1 43 43 ARG CA C 43 59.100 59.100 58.816 0.284 25195 9508 1 15 . 1 1 43 43 ARG CB C 43 29.400 29.400 29.753 -0.353 25195 9509 1 15 . 1 1 43 43 ARG H H 43 7.810 7.810 8.125 -0.315 25195 9510 1 15 . 1 1 44 44 GLU N N 44 122.200 122.200 117.831 4.369 25195 9511 1 15 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.158 -0.108 25195 9512 1 15 . 1 1 44 44 GLU C C 44 177.600 177.600 177.669 -0.069 25195 9513 1 15 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.135 0.965 25195 9514 1 15 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.582 -0.082 25195 9515 1 15 . 1 1 44 44 GLU H H 44 8.670 8.670 8.009 0.661 25195 9516 1 15 . 1 1 45 45 ALA N N 45 120.400 120.400 120.434 -0.034 25195 9517 1 15 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.173 0.247 25195 9518 1 15 . 1 1 45 45 ALA C C 45 177.300 177.300 177.975 -0.675 25195 9519 1 15 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.123 -0.623 25195 9520 1 15 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.543 -1.143 25195 9521 1 15 . 1 1 45 45 ALA H H 45 7.430 7.430 7.780 -0.350 25195 9522 1 15 . 1 1 46 46 GLY N N 46 106.000 106.000 105.517 0.483 25195 9523 1 15 . 1 1 46 46 GLY C C 46 173.800 173.800 173.295 0.505 25195 9524 1 15 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.684 0.616 25195 9525 1 15 . 1 1 46 46 GLY H H 46 8.080 8.080 7.734 0.346 25195 9526 1 15 . 1 1 47 47 ILE N N 47 121.500 121.500 118.896 2.604 25195 9527 1 15 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.458 -0.358 25195 9528 1 15 . 1 1 47 47 ILE C C 47 174.100 174.100 173.472 0.628 25195 9529 1 15 . 1 1 47 47 ILE CA C 47 59.700 59.700 59.972 -0.272 25195 9530 1 15 . 1 1 47 47 ILE CB C 47 41.100 41.100 42.330 -1.230 25195 9531 1 15 . 1 1 47 47 ILE H H 47 7.180 7.180 7.458 -0.278 25195 9532 1 15 . 1 1 48 48 GLU N N 48 127.000 127.000 121.683 5.317 25195 9533 1 15 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.666 0.534 25195 9534 1 15 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.682 -1.382 25195 9535 1 15 . 1 1 48 48 GLU CB C 48 29.400 29.400 29.286 0.114 25195 9536 1 15 . 1 1 48 48 GLU H H 48 8.440 8.440 8.474 -0.034 25195 9537 1 15 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.589 0.051 25195 9538 1 15 . 1 1 49 49 PRO C C 49 175.200 175.200 175.755 -0.555 25195 9539 1 15 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.315 -0.415 25195 9540 1 15 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.811 -0.111 25195 9541 1 15 . 1 1 50 50 HIS N N 50 119.000 119.000 117.737 1.263 25195 9542 1 15 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.879 -0.179 25195 9543 1 15 . 1 1 50 50 HIS C C 50 174.200 174.200 174.684 -0.484 25195 9544 1 15 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.977 0.423 25195 9545 1 15 . 1 1 50 50 HIS CB C 50 29.100 29.100 32.064 -2.964 25195 9546 1 15 . 1 1 50 50 HIS H H 50 9.160 9.160 8.352 0.808 25195 9547 1 15 . 1 1 51 51 VAL N N 51 128.400 128.400 122.713 5.687 25195 9548 1 15 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.875 -0.635 25195 9549 1 15 . 1 1 51 51 VAL C C 51 175.600 175.600 174.899 0.701 25195 9550 1 15 . 1 1 51 51 VAL CA C 51 62.200 62.200 61.952 0.248 25195 9551 1 15 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.412 -0.212 25195 9552 1 15 . 1 1 51 51 VAL H H 51 8.760 8.760 8.599 0.161 25195 9553 1 15 . 1 1 52 52 ILE N N 52 129.400 129.400 128.689 0.711 25195 9554 1 15 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.483 -0.263 25195 9555 1 15 . 1 1 52 52 ILE C C 52 176.500 176.500 175.030 1.470 25195 9556 1 15 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.646 -0.346 25195 9557 1 15 . 1 1 52 52 ILE CB C 52 38.200 38.200 41.562 -3.362 25195 9558 1 15 . 1 1 52 52 ILE H H 52 9.000 9.000 8.898 0.102 25195 9559 1 15 . 1 1 53 53 GLU N N 53 129.900 129.900 126.578 3.322 25195 9560 1 15 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.735 0.395 25195 9561 1 15 . 1 1 53 53 GLU C C 53 174.200 174.200 174.984 -0.784 25195 9562 1 15 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.799 0.101 25195 9563 1 15 . 1 1 53 53 GLU CB C 53 28.300 28.300 28.886 -0.586 25195 9564 1 15 . 1 1 53 53 GLU H H 53 9.180 9.180 8.727 0.453 25195 9565 1 15 . 1 1 54 54 TYR N N 54 124.200 124.200 125.020 -0.820 25195 9566 1 15 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.573 0.627 25195 9567 1 15 . 1 1 54 54 TYR C C 54 174.200 174.200 174.290 -0.090 25195 9568 1 15 . 1 1 54 54 TYR CA C 54 54.100 54.100 58.458 -4.358 25195 9569 1 15 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.194 -2.194 25195 9570 1 15 . 1 1 54 54 TYR H H 54 8.460 8.460 8.034 0.426 25195 9571 1 15 . 1 1 55 55 MET N N 55 121.900 121.900 120.096 1.804 25195 9572 1 15 . 1 1 55 55 MET H H 55 7.660 7.660 8.123 -0.463 25195 9573 1 15 . 1 1 56 56 LYS C C 56 176.700 176.700 175.860 0.840 25195 9574 1 15 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.594 0.306 25195 9575 1 15 . 1 1 56 56 LYS CB C 56 29.200 29.200 31.952 -2.752 25195 9576 1 15 . 1 1 57 57 THR N N 57 114.700 114.700 117.100 -2.400 25195 9577 1 15 . 1 1 57 57 THR HA H 57 4.720 4.720 4.581 0.139 25195 9578 1 15 . 1 1 57 57 THR CB C 57 70.500 70.500 68.998 1.502 25195 9579 1 15 . 1 1 57 57 THR H H 57 7.940 7.940 7.880 0.060 25195 9580 1 15 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.581 0.119 25195 9581 1 15 . 1 1 58 58 PRO C C 58 177.400 177.400 175.564 1.836 25195 9582 1 15 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.062 -0.262 25195 9583 1 15 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.451 0.149 25195 9584 1 15 . 1 1 59 59 LEU N N 59 125.300 125.300 117.592 7.708 25195 9585 1 15 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.852 -0.272 25195 9586 1 15 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.242 1.058 25195 9587 1 15 . 1 1 59 59 LEU H H 59 8.760 8.760 8.236 0.524 25195 9588 1 15 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.625 -0.115 25195 9589 1 15 . 1 1 60 60 PRO C C 60 178.400 178.400 177.821 0.579 25195 9590 1 15 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.137 -0.037 25195 9591 1 15 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.549 -0.249 25195 9592 1 15 . 1 1 61 61 ARG N N 61 125.800 125.800 120.213 5.587 25195 9593 1 15 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.852 -0.152 25195 9594 1 15 . 1 1 61 61 ARG C C 61 177.800 177.800 177.579 0.221 25195 9595 1 15 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.850 0.950 25195 9596 1 15 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.245 1.155 25195 9597 1 15 . 1 1 61 61 ARG H H 61 8.980 8.980 8.707 0.273 25195 9598 1 15 . 1 1 62 62 ASP N N 62 113.300 113.300 119.292 -5.992 25195 9599 1 15 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.236 0.004 25195 9600 1 15 . 1 1 62 62 ASP C C 62 179.100 179.100 178.338 0.762 25195 9601 1 15 . 1 1 62 62 ASP CA C 62 57.000 57.000 56.951 0.049 25195 9602 1 15 . 1 1 62 62 ASP CB C 62 39.700 39.700 39.816 -0.116 25195 9603 1 15 . 1 1 62 62 ASP H H 62 8.820 8.820 8.666 0.154 25195 9604 1 15 . 1 1 63 63 MET N N 63 118.800 118.800 118.817 -0.017 25195 9605 1 15 . 1 1 63 63 MET HA H 63 4.460 4.460 4.195 0.265 25195 9606 1 15 . 1 1 63 63 MET C C 63 177.700 177.700 179.036 -1.336 25195 9607 1 15 . 1 1 63 63 MET CA C 63 57.200 57.200 57.703 -0.503 25195 9608 1 15 . 1 1 63 63 MET CB C 63 32.500 32.500 31.669 0.831 25195 9609 1 15 . 1 1 63 63 MET H H 63 7.340 7.340 8.117 -0.777 25195 9610 1 15 . 1 1 64 64 LEU N N 64 121.000 121.000 120.191 0.809 25195 9611 1 15 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.075 -0.115 25195 9612 1 15 . 1 1 64 64 LEU C C 64 178.000 178.000 178.707 -0.707 25195 9613 1 15 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.218 0.082 25195 9614 1 15 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.557 -0.157 25195 9615 1 15 . 1 1 64 64 LEU H H 64 7.570 7.570 7.953 -0.383 25195 9616 1 15 . 1 1 65 65 VAL N N 65 117.200 117.200 120.523 -3.323 25195 9617 1 15 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.527 -0.097 25195 9618 1 15 . 1 1 65 65 VAL C C 65 178.500 178.500 177.886 0.614 25195 9619 1 15 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.756 -0.156 25195 9620 1 15 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.380 0.620 25195 9621 1 15 . 1 1 65 65 VAL H H 65 8.250 8.250 8.139 0.111 25195 9622 1 15 . 1 1 66 66 GLU N N 66 120.200 120.200 119.997 0.203 25195 9623 1 15 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.046 0.294 25195 9624 1 15 . 1 1 66 66 GLU C C 66 178.500 178.500 179.418 -0.918 25195 9625 1 15 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.576 -0.876 25195 9626 1 15 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.620 -0.420 25195 9627 1 15 . 1 1 66 66 GLU H H 66 7.510 7.510 7.828 -0.318 25195 9628 1 15 . 1 1 67 67 LEU N N 67 121.100 121.100 119.208 1.892 25195 9629 1 15 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.072 -0.082 25195 9630 1 15 . 1 1 67 67 LEU C C 67 179.400 179.400 179.017 0.383 25195 9631 1 15 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.858 0.541 25195 9632 1 15 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.198 -0.398 25195 9633 1 15 . 1 1 67 67 LEU H H 67 8.480 8.480 7.947 0.533 25195 9634 1 15 . 1 1 68 68 LEU N N 68 118.500 118.500 117.389 1.111 25195 9635 1 15 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.224 -0.444 25195 9636 1 15 . 1 1 68 68 LEU C C 68 179.100 179.100 178.273 0.827 25195 9637 1 15 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.888 0.812 25195 9638 1 15 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.424 -0.024 25195 9639 1 15 . 1 1 68 68 LEU H H 68 8.250 8.250 8.306 -0.056 25195 9640 1 15 . 1 1 69 69 ARG N N 69 119.200 119.200 118.588 0.612 25195 9641 1 15 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.284 -0.234 25195 9642 1 15 . 1 1 69 69 ARG C C 69 180.400 180.400 178.009 2.391 25195 9643 1 15 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.347 1.153 25195 9644 1 15 . 1 1 69 69 ARG CB C 69 30.100 30.100 30.176 -0.076 25195 9645 1 15 . 1 1 69 69 ARG H H 69 7.950 7.950 8.429 -0.479 25195 9646 1 15 . 1 1 70 70 GLN N N 70 118.500 118.500 117.197 1.303 25195 9647 1 15 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.163 -0.133 25195 9648 1 15 . 1 1 70 70 GLN C C 70 179.900 179.900 178.027 1.873 25195 9649 1 15 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.668 1.232 25195 9650 1 15 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.468 0.932 25195 9651 1 15 . 1 1 70 70 GLN H H 70 8.450 8.450 7.748 0.702 25195 9652 1 15 . 1 1 71 71 MET N N 71 117.500 117.500 119.415 -1.915 25195 9653 1 15 . 1 1 71 71 MET HA H 71 4.140 4.140 4.082 0.058 25195 9654 1 15 . 1 1 71 71 MET C C 71 175.200 175.200 176.431 -1.231 25195 9655 1 15 . 1 1 71 71 MET CA C 71 58.200 58.200 58.291 -0.091 25195 9656 1 15 . 1 1 71 71 MET CB C 71 36.200 36.200 32.888 3.312 25195 9657 1 15 . 1 1 71 71 MET H H 71 8.380 8.380 7.861 0.519 25195 9658 1 15 . 1 1 72 72 ALA N N 72 120.400 120.400 117.691 2.709 25195 9659 1 15 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.525 -0.495 25195 9660 1 15 . 1 1 72 72 ALA C C 72 176.600 176.600 176.938 -0.338 25195 9661 1 15 . 1 1 72 72 ALA CA C 72 52.800 52.800 51.980 0.820 25195 9662 1 15 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.605 -5.105 25195 9663 1 15 . 1 1 72 72 ALA H H 72 8.100 8.100 7.473 0.627 25195 9664 1 15 . 1 1 73 73 ILE N N 73 108.600 108.600 115.609 -7.009 25195 9665 1 15 . 1 1 73 73 ILE C C 73 174.700 174.700 174.509 0.191 25195 9666 1 15 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.804 0.096 25195 9667 1 15 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.257 2.344 25195 9668 1 15 . 1 1 73 73 ILE H H 73 7.240 7.240 8.011 -0.771 25195 9669 1 15 . 1 1 74 74 SER N N 74 116.500 116.500 117.773 -1.273 25195 9670 1 15 . 1 1 74 74 SER HA H 74 4.780 4.780 4.494 0.286 25195 9671 1 15 . 1 1 74 74 SER CA C 74 55.900 55.900 58.833 -2.933 25195 9672 1 15 . 1 1 74 74 SER CB C 74 63.500 63.500 63.244 0.256 25195 9673 1 15 . 1 1 74 74 SER H H 74 8.290 8.290 8.576 -0.286 25195 9674 1 15 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.391 0.369 25195 9675 1 15 . 1 1 75 75 PRO C C 75 178.200 178.200 177.610 0.590 25195 9676 1 15 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.814 0.786 25195 9677 1 15 . 1 1 75 75 PRO CB C 75 32.100 32.100 32.013 0.087 25195 9678 1 15 . 1 1 76 76 ARG N N 76 114.400 114.400 117.841 -3.441 25195 9679 1 15 . 1 1 76 76 ARG C C 76 178.100 178.100 176.901 1.199 25195 9680 1 15 . 1 1 76 76 ARG CA C 76 60.000 60.000 59.015 0.985 25195 9681 1 15 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.328 -0.928 25195 9682 1 15 . 1 1 76 76 ARG H H 76 8.340 8.340 8.147 0.193 25195 9683 1 15 . 1 1 77 77 ALA N N 77 119.400 119.400 117.340 2.060 25195 9684 1 15 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.499 -0.269 25195 9685 1 15 . 1 1 77 77 ALA C C 77 178.100 178.100 176.784 1.316 25195 9686 1 15 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.135 2.665 25195 9687 1 15 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.003 -0.403 25195 9688 1 15 . 1 1 77 77 ALA H H 77 7.720 7.720 7.512 0.208 25195 9689 1 15 . 1 1 78 78 LEU N N 78 119.400 119.400 120.168 -0.768 25195 9690 1 15 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.370 0.010 25195 9691 1 15 . 1 1 78 78 LEU C C 78 174.800 174.800 176.664 -1.864 25195 9692 1 15 . 1 1 78 78 LEU CA C 78 52.900 52.900 54.994 -2.094 25195 9693 1 15 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.264 0.836 25195 9694 1 15 . 1 1 78 78 LEU H H 78 7.610 7.610 7.293 0.317 25195 9695 1 15 . 1 1 79 79 LEU N N 79 118.700 118.700 120.749 -2.049 25195 9696 1 15 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.935 0.715 25195 9697 1 15 . 1 1 79 79 LEU C C 79 178.900 178.900 176.878 2.022 25195 9698 1 15 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.803 0.297 25195 9699 1 15 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.386 5.214 25195 9700 1 15 . 1 1 79 79 LEU H H 79 7.220 7.220 7.673 -0.453 25195 9701 1 15 . 1 1 80 80 ARG N N 80 124.000 124.000 124.145 -0.145 25195 9702 1 15 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.011 0.209 25195 9703 1 15 . 1 1 80 80 ARG C C 80 174.800 174.800 177.206 -2.406 25195 9704 1 15 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.573 -0.373 25195 9705 1 15 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.751 -0.051 25195 9706 1 15 . 1 1 80 80 ARG H H 80 8.780 8.780 8.082 0.698 25195 9707 1 15 . 1 1 81 81 ALA N N 81 124.400 124.400 122.941 1.459 25195 9708 1 15 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.217 -1.727 25195 9709 1 15 . 1 1 81 81 ALA C C 81 177.600 177.600 178.655 -1.055 25195 9710 1 15 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.956 -2.256 25195 9711 1 15 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.012 -0.412 25195 9712 1 15 . 1 1 81 81 ALA H H 81 7.420 7.420 8.691 -1.271 25195 9713 1 15 . 1 1 82 82 LYS N N 82 114.500 114.500 117.069 -2.569 25195 9714 1 15 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.020 0.230 25195 9715 1 15 . 1 1 82 82 LYS C C 82 177.700 177.700 178.723 -1.023 25195 9716 1 15 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.161 -2.361 25195 9717 1 15 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.300 -0.900 25195 9718 1 15 . 1 1 82 82 LYS H H 82 8.190 8.190 7.791 0.399 25195 9719 1 15 . 1 1 83 83 GLU N N 83 118.700 118.700 119.625 -0.925 25195 9720 1 15 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.350 -0.150 25195 9721 1 15 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.500 1.300 25195 9722 1 15 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.887 1.413 25195 9723 1 15 . 1 1 83 83 GLU H H 83 7.120 7.120 7.700 -0.580 25195 9724 1 15 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.897 0.313 25195 9725 1 15 . 1 1 84 84 ALA C C 84 180.900 180.900 179.301 1.599 25195 9726 1 15 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.864 -0.164 25195 9727 1 15 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.844 -1.044 25195 9728 1 15 . 1 1 85 85 ARG N N 85 115.800 115.800 119.024 -3.224 25195 9729 1 15 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.983 0.077 25195 9730 1 15 . 1 1 85 85 ARG C C 85 178.200 178.200 177.932 0.268 25195 9731 1 15 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.968 -2.068 25195 9732 1 15 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.750 0.149 25195 9733 1 15 . 1 1 85 85 ARG H H 85 9.280 9.280 8.127 1.153 25195 9734 1 15 . 1 1 86 86 TYR N N 86 118.300 118.300 119.785 -1.485 25195 9735 1 15 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.063 -0.223 25195 9736 1 15 . 1 1 86 86 TYR C C 86 176.500 176.500 176.764 -0.264 25195 9737 1 15 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.586 -0.386 25195 9738 1 15 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.909 0.291 25195 9739 1 15 . 1 1 86 86 TYR H H 86 7.270 7.270 8.663 -1.393 25195 9740 1 15 . 1 1 87 87 ALA N N 87 120.500 120.500 119.906 0.594 25195 9741 1 15 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.929 0.411 25195 9742 1 15 . 1 1 87 87 ALA C C 87 181.900 181.900 180.337 1.563 25195 9743 1 15 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.968 0.433 25195 9744 1 15 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.978 0.422 25195 9745 1 15 . 1 1 87 87 ALA H H 87 7.110 7.110 7.669 -0.559 25195 9746 1 15 . 1 1 88 88 GLU N N 88 119.500 119.500 120.007 -0.507 25195 9747 1 15 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.010 -0.030 25195 9748 1 15 . 1 1 88 88 GLU C C 88 178.800 178.800 178.457 0.343 25195 9749 1 15 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.839 0.461 25195 9750 1 15 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.530 0.970 25195 9751 1 15 . 1 1 88 88 GLU H H 88 8.240 8.240 8.159 0.081 25195 9752 1 15 . 1 1 89 89 LEU N N 89 115.100 115.100 117.070 -1.970 25195 9753 1 15 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.238 0.042 25195 9754 1 15 . 1 1 89 89 LEU C C 89 176.900 176.900 177.412 -0.512 25195 9755 1 15 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.456 -0.956 25195 9756 1 15 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.405 0.395 25195 9757 1 15 . 1 1 89 89 LEU H H 89 7.430 7.430 7.898 -0.468 25195 9758 1 15 . 1 1 90 90 GLY N N 90 108.200 108.200 106.080 2.120 25195 9759 1 15 . 1 1 90 90 GLY C C 90 176.900 176.900 175.719 1.181 25195 9760 1 15 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.528 1.472 25195 9761 1 15 . 1 1 90 90 GLY H H 90 7.690 7.690 7.725 -0.035 25195 9762 1 15 . 1 1 91 91 LEU N N 91 113.000 113.000 119.047 -6.047 25195 9763 1 15 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.027 -0.257 25195 9764 1 15 . 1 1 91 91 LEU CA C 91 55.700 55.700 56.749 -1.049 25195 9765 1 15 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.105 -1.805 25195 9766 1 15 . 1 1 91 91 LEU H H 91 7.000 7.000 7.405 -0.405 25195 9767 1 15 . 1 1 92 92 ASP N N 92 117.000 117.000 114.286 2.714 25195 9768 1 15 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.525 -0.085 25195 9769 1 15 . 1 1 92 92 ASP C C 92 175.400 175.400 176.320 -0.920 25195 9770 1 15 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.190 -0.390 25195 9771 1 15 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.490 0.209 25195 9772 1 15 . 1 1 92 92 ASP H H 92 8.510 8.510 7.796 0.714 25195 9773 1 15 . 1 1 93 93 ASP N N 93 120.600 120.600 120.831 -0.231 25195 9774 1 15 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.623 -0.043 25195 9775 1 15 . 1 1 93 93 ASP C C 93 176.000 176.000 177.070 -1.070 25195 9776 1 15 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.936 -1.836 25195 9777 1 15 . 1 1 93 93 ASP CB C 93 41.500 41.500 41.337 0.163 25195 9778 1 15 . 1 1 93 93 ASP H H 93 7.000 7.000 7.623 -0.623 25195 9779 1 15 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.295 0.005 25195 9780 1 15 . 1 1 94 94 PRO C C 94 178.100 178.100 178.066 0.034 25195 9781 1 15 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.704 -0.904 25195 9782 1 15 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.893 0.307 25195 9783 1 15 . 1 1 95 95 ALA N N 95 121.900 121.900 120.962 0.938 25195 9784 1 15 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.156 0.114 25195 9785 1 15 . 1 1 95 95 ALA C C 95 178.400 178.400 178.076 0.324 25195 9786 1 15 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.985 -0.485 25195 9787 1 15 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.752 0.449 25195 9788 1 15 . 1 1 95 95 ALA H H 95 8.610 8.610 8.275 0.335 25195 9789 1 15 . 1 1 96 96 LEU N N 96 117.600 117.600 118.198 -0.598 25195 9790 1 15 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.171 -0.001 25195 9791 1 15 . 1 1 96 96 LEU C C 96 177.600 177.600 176.319 1.281 25195 9792 1 15 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.267 0.233 25195 9793 1 15 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.367 0.034 25195 9794 1 15 . 1 1 96 96 LEU H H 96 7.010 7.010 7.420 -0.410 25195 9795 1 15 . 1 1 97 97 SER N N 97 119.200 119.200 110.953 8.247 25195 9796 1 15 . 1 1 97 97 SER HA H 97 4.360 4.360 4.726 -0.366 25195 9797 1 15 . 1 1 97 97 SER C C 97 174.400 174.400 174.169 0.231 25195 9798 1 15 . 1 1 97 97 SER CA C 97 57.300 57.300 57.214 0.086 25195 9799 1 15 . 1 1 97 97 SER CB C 97 64.900 64.900 65.900 -1.000 25195 9800 1 15 . 1 1 97 97 SER H H 97 8.620 8.620 7.984 0.636 25195 9801 1 15 . 1 1 98 98 ASP N N 98 122.000 122.000 122.408 -0.408 25195 9802 1 15 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.355 -0.085 25195 9803 1 15 . 1 1 98 98 ASP C C 98 178.100 178.100 178.064 0.036 25195 9804 1 15 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.636 0.164 25195 9805 1 15 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.783 -0.683 25195 9806 1 15 . 1 1 98 98 ASP H H 98 9.050 9.050 8.777 0.273 25195 9807 1 15 . 1 1 99 99 GLU N N 99 116.100 116.100 120.498 -4.398 25195 9808 1 15 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.062 -0.272 25195 9809 1 15 . 1 1 99 99 GLU C C 99 176.800 176.800 178.991 -2.191 25195 9810 1 15 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.370 0.530 25195 9811 1 15 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.173 0.027 25195 9812 1 15 . 1 1 99 99 GLU H H 99 8.250 8.250 8.728 -0.478 25195 9813 1 15 . 1 1 100 100 VAL N N 100 118.000 118.000 116.556 1.444 25195 9814 1 15 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.826 -0.016 25195 9815 1 15 . 1 1 100 100 VAL C C 100 179.200 179.200 178.168 1.032 25195 9816 1 15 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.478 0.122 25195 9817 1 15 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.427 -0.027 25195 9818 1 15 . 1 1 100 100 VAL H H 100 7.290 7.290 7.412 -0.122 25195 9819 1 15 . 1 1 101 101 LEU N N 101 120.100 120.100 120.876 -0.776 25195 9820 1 15 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.046 -0.096 25195 9821 1 15 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.985 0.115 25195 9822 1 15 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.797 0.703 25195 9823 1 15 . 1 1 101 101 LEU H H 101 7.610 7.610 7.800 -0.190 25195 9824 1 15 . 1 1 102 102 ILE N N 102 118.900 118.900 119.752 -0.852 25195 9825 1 15 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.556 -0.136 25195 9826 1 15 . 1 1 102 102 ILE C C 102 177.700 177.700 177.795 -0.095 25195 9827 1 15 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.275 0.125 25195 9828 1 15 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.676 0.824 25195 9829 1 15 . 1 1 102 102 ILE H H 102 8.260 8.260 8.581 -0.321 25195 9830 1 15 . 1 1 103 103 ASP N N 103 118.000 118.000 119.890 -1.890 25195 9831 1 15 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.243 0.077 25195 9832 1 15 . 1 1 103 103 ASP C C 103 179.400 179.400 178.452 0.948 25195 9833 1 15 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.742 0.057 25195 9834 1 15 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.736 -0.636 25195 9835 1 15 . 1 1 103 103 ASP H H 103 8.080 8.080 8.114 -0.034 25195 9836 1 15 . 1 1 104 104 ALA N N 104 121.500 121.500 121.405 0.095 25195 9837 1 15 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.168 -0.098 25195 9838 1 15 . 1 1 104 104 ALA C C 104 179.900 179.900 179.487 0.413 25195 9839 1 15 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.865 0.534 25195 9840 1 15 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.510 -0.810 25195 9841 1 15 . 1 1 104 104 ALA H H 104 8.210 8.210 8.014 0.196 25195 9842 1 15 . 1 1 105 105 MET N N 105 115.800 115.800 119.469 -3.669 25195 9843 1 15 . 1 1 105 105 MET HA H 105 3.940 3.940 4.118 -0.178 25195 9844 1 15 . 1 1 105 105 MET C C 105 176.700 176.700 178.514 -1.814 25195 9845 1 15 . 1 1 105 105 MET CA C 105 59.500 59.500 58.998 0.501 25195 9846 1 15 . 1 1 105 105 MET CB C 105 35.400 35.400 32.962 2.438 25195 9847 1 15 . 1 1 105 105 MET H H 105 7.520 7.520 7.785 -0.265 25195 9848 1 15 . 1 1 106 106 ILE N N 106 118.100 118.100 116.441 1.659 25195 9849 1 15 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.843 0.177 25195 9850 1 15 . 1 1 106 106 ILE C C 106 178.200 178.200 177.563 0.637 25195 9851 1 15 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.373 -1.373 25195 9852 1 15 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.847 -0.147 25195 9853 1 15 . 1 1 106 106 ILE H H 106 7.730 7.730 8.488 -0.758 25195 9854 1 15 . 1 1 107 107 SER N N 107 112.400 112.400 113.046 -0.646 25195 9855 1 15 . 1 1 107 107 SER HA H 107 4.340 4.340 4.398 -0.058 25195 9856 1 15 . 1 1 107 107 SER C C 107 174.800 174.800 175.110 -0.310 25195 9857 1 15 . 1 1 107 107 SER CA C 107 60.400 60.400 59.476 0.924 25195 9858 1 15 . 1 1 107 107 SER CB C 107 64.000 64.000 64.314 -0.314 25195 9859 1 15 . 1 1 107 107 SER H H 107 8.160 8.160 7.452 0.708 25195 9860 1 15 . 1 1 108 108 ASN N N 108 116.400 116.400 120.480 -4.080 25195 9861 1 15 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.921 0.369 25195 9862 1 15 . 1 1 108 108 ASN CA C 108 51.100 51.100 51.888 -0.788 25195 9863 1 15 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.228 1.972 25195 9864 1 15 . 1 1 108 108 ASN H H 108 7.700 7.700 7.904 -0.204 25195 9865 1 15 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.365 0.405 25195 9866 1 15 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.081 0.719 25195 9867 1 15 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.771 0.429 25195 9868 1 15 . 1 1 110 110 VAL N N 110 119.100 119.100 117.739 1.361 25195 9869 1 15 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.863 0.187 25195 9870 1 15 . 1 1 110 110 VAL C C 110 175.200 175.200 176.508 -1.308 25195 9871 1 15 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.190 1.410 25195 9872 1 15 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.218 -0.018 25195 9873 1 15 . 1 1 110 110 VAL H H 110 8.280 8.280 7.972 0.308 25195 9874 1 15 . 1 1 111 111 LEU N N 111 115.200 115.200 111.421 3.779 25195 9875 1 15 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.083 0.317 25195 9876 1 15 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.779 2.421 25195 9877 1 15 . 1 1 111 111 LEU H H 111 8.420 8.420 7.217 1.203 25195 9878 1 15 . 1 1 112 112 MET N N 112 118.900 118.900 120.741 -1.841 25195 9879 1 15 . 1 1 112 112 MET HA H 112 4.060 4.060 4.223 -0.163 25195 9880 1 15 . 1 1 112 112 MET CA C 112 56.500 56.500 56.700 -0.200 25195 9881 1 15 . 1 1 112 112 MET CB C 112 35.600 35.600 32.215 3.385 25195 9882 1 15 . 1 1 112 112 MET H H 112 7.940 7.940 7.691 0.249 25195 9883 1 15 . 1 1 113 113 ASN N N 113 125.800 125.800 121.886 3.914 25195 9884 1 15 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.672 -0.032 25195 9885 1 15 . 1 1 113 113 ASN C C 113 170.700 170.700 175.884 -5.184 25195 9886 1 15 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.427 -1.227 25195 9887 1 15 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.867 -1.966 25195 9888 1 15 . 1 1 113 113 ASN H H 113 9.140 9.140 8.278 0.862 25195 9889 1 15 . 1 1 114 114 ARG N N 114 113.200 113.200 120.471 -7.271 25195 9890 1 15 . 1 1 114 114 ARG CA C 114 53.800 53.800 59.124 -5.324 25195 9891 1 15 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.119 1.681 25195 9892 1 15 . 1 1 114 114 ARG H H 114 7.970 7.970 8.270 -0.300 25195 9893 1 15 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.391 0.429 25195 9894 1 15 . 1 1 115 115 PRO C C 115 175.400 175.400 175.918 -0.518 25195 9895 1 15 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.505 0.095 25195 9896 1 15 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.603 2.797 25195 9897 1 15 . 1 1 116 116 VAL N N 116 124.500 124.500 126.822 -2.322 25195 9898 1 15 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.342 0.738 25195 9899 1 15 . 1 1 116 116 VAL C C 116 174.500 174.500 174.184 0.316 25195 9900 1 15 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.511 0.989 25195 9901 1 15 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.132 -2.132 25195 9902 1 15 . 1 1 116 116 VAL H H 116 7.840 7.840 8.659 -0.819 25195 9903 1 15 . 1 1 117 117 VAL N N 117 128.000 128.000 128.618 -0.618 25195 9904 1 15 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.336 0.444 25195 9905 1 15 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.392 0.609 25195 9906 1 15 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.682 0.118 25195 9907 1 15 . 1 1 117 117 VAL H H 117 8.670 8.670 9.041 -0.371 25195 9908 1 15 . 1 1 118 118 VAL N N 118 125.700 125.700 129.567 -3.867 25195 9909 1 15 . 1 1 118 118 VAL C C 118 175.700 175.700 174.585 1.115 25195 9910 1 15 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.607 0.593 25195 9911 1 15 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.404 2.596 25195 9912 1 15 . 1 1 118 118 VAL H H 118 9.110 9.110 9.155 -0.045 25195 9913 1 15 . 1 1 119 119 THR N N 119 118.500 118.500 119.115 -0.615 25195 9914 1 15 . 1 1 119 119 THR HA H 119 5.490 5.490 4.976 0.514 25195 9915 1 15 . 1 1 119 119 THR CA C 119 58.800 58.800 58.608 0.192 25195 9916 1 15 . 1 1 119 119 THR CB C 119 69.800 69.800 70.522 -0.722 25195 9917 1 15 . 1 1 119 119 THR H H 119 9.370 9.370 8.750 0.620 25195 9918 1 15 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.472 0.008 25195 9919 1 15 . 1 1 120 120 PRO C C 120 177.800 177.800 177.075 0.725 25195 9920 1 15 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.600 0.500 25195 9921 1 15 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.705 0.595 25195 9922 1 15 . 1 1 121 121 LYS N N 121 113.600 113.600 118.025 -4.425 25195 9923 1 15 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.486 -0.226 25195 9924 1 15 . 1 1 121 121 LYS C C 121 176.400 176.400 175.725 0.675 25195 9925 1 15 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.158 2.042 25195 9926 1 15 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.982 -0.182 25195 9927 1 15 . 1 1 121 121 LYS H H 121 8.360 8.360 7.993 0.367 25195 9928 1 15 . 1 1 122 122 GLY N N 122 108.400 108.400 106.218 2.182 25195 9929 1 15 . 1 1 122 122 GLY C C 122 169.500 169.500 171.880 -2.380 25195 9930 1 15 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.235 -0.135 25195 9931 1 15 . 1 1 122 122 GLY H H 122 7.900 7.900 7.562 0.338 25195 9932 1 15 . 1 1 123 123 VAL N N 123 117.100 117.100 119.503 -2.403 25195 9933 1 15 . 1 1 123 123 VAL HA H 123 5.460 5.460 4.931 0.529 25195 9934 1 15 . 1 1 123 123 VAL C C 123 176.100 176.100 175.493 0.607 25195 9935 1 15 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.688 -0.688 25195 9936 1 15 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.617 0.183 25195 9937 1 15 . 1 1 123 123 VAL H H 123 8.080 8.080 8.311 -0.231 25195 9938 1 15 . 1 1 124 124 ARG N N 124 122.300 122.300 123.542 -1.242 25195 9939 1 15 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.510 0.150 25195 9940 1 15 . 1 1 124 124 ARG C C 124 174.800 174.800 173.862 0.938 25195 9941 1 15 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.694 -0.294 25195 9942 1 15 . 1 1 124 124 ARG CB C 124 35.900 35.900 33.957 1.943 25195 9943 1 15 . 1 1 124 124 ARG H H 124 8.510 8.510 8.832 -0.322 25195 9944 1 15 . 1 1 125 125 LEU N N 125 125.500 125.500 121.856 3.644 25195 9945 1 15 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.263 0.337 25195 9946 1 15 . 1 1 125 125 LEU C C 125 176.500 176.500 177.108 -0.608 25195 9947 1 15 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.241 -1.541 25195 9948 1 15 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.113 -1.213 25195 9949 1 15 . 1 1 125 125 LEU H H 125 8.860 8.860 8.646 0.214 25195 9950 1 15 . 1 1 126 126 CYS N N 126 129.700 129.700 123.173 6.527 25195 9951 1 15 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.198 0.292 25195 9952 1 15 . 1 1 126 126 CYS C C 126 172.000 172.000 174.722 -2.722 25195 9953 1 15 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.603 0.297 25195 9954 1 15 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.771 -0.471 25195 9955 1 15 . 1 1 126 126 CYS H H 126 8.540 8.540 8.457 0.083 25195 9956 1 15 . 1 1 127 127 ARG N N 127 117.500 117.500 119.033 -1.533 25195 9957 1 15 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.675 -0.485 25195 9958 1 15 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.356 -0.156 25195 9959 1 15 . 1 1 127 127 ARG CB C 127 33.400 33.400 32.358 1.042 25195 9960 1 15 . 1 1 127 127 ARG H H 127 6.930 6.930 7.102 -0.172 25195 9961 1 15 . 1 1 128 128 PRO C C 128 177.100 177.100 177.112 -0.012 25195 9962 1 15 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.415 0.785 25195 9963 1 15 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.550 2.750 25195 9964 1 15 . 1 1 129 129 ALA N N 129 124.000 124.000 120.829 3.171 25195 9965 1 15 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.024 -0.174 25195 9966 1 15 . 1 1 129 129 ALA C C 129 177.700 177.700 180.120 -2.420 25195 9967 1 15 . 1 1 129 129 ALA CA C 129 55.200 55.200 55.156 0.044 25195 9968 1 15 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.445 1.455 25195 9969 1 15 . 1 1 129 129 ALA H H 129 9.320 9.320 8.551 0.769 25195 9970 1 15 . 1 1 130 130 GLU N N 130 111.600 111.600 117.986 -6.386 25195 9971 1 15 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.022 -0.182 25195 9972 1 15 . 1 1 130 130 GLU C C 130 178.200 178.200 178.969 -0.769 25195 9973 1 15 . 1 1 130 130 GLU CA C 130 60.500 60.500 60.067 0.433 25195 9974 1 15 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.358 -1.258 25195 9975 1 15 . 1 1 130 130 GLU H H 130 9.490 9.490 8.726 0.764 25195 9976 1 15 . 1 1 131 131 THR N N 131 116.100 116.100 113.645 2.455 25195 9977 1 15 . 1 1 131 131 THR HA H 131 4.040 4.040 4.001 0.039 25195 9978 1 15 . 1 1 131 131 THR C C 131 175.800 175.800 176.814 -1.014 25195 9979 1 15 . 1 1 131 131 THR CA C 131 65.600 65.600 65.422 0.178 25195 9980 1 15 . 1 1 131 131 THR CB C 131 69.800 69.800 68.567 1.233 25195 9981 1 15 . 1 1 131 131 THR H H 131 7.940 7.940 7.578 0.362 25195 9982 1 15 . 1 1 132 132 VAL N N 132 119.200 119.200 121.796 -2.596 25195 9983 1 15 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.689 0.191 25195 9984 1 15 . 1 1 132 132 VAL C C 132 176.500 176.500 177.605 -1.105 25195 9985 1 15 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.431 -1.331 25195 9986 1 15 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.205 1.195 25195 9987 1 15 . 1 1 132 132 VAL H H 132 8.130 8.130 7.674 0.456 25195 9988 1 15 . 1 1 133 133 GLN N N 133 118.500 118.500 119.019 -0.519 25195 9989 1 15 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.030 -0.180 25195 9990 1 15 . 1 1 133 133 GLN C C 133 178.500 178.500 177.908 0.592 25195 9991 1 15 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.838 -0.038 25195 9992 1 15 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.624 -0.624 25195 9993 1 15 . 1 1 133 133 GLN H H 133 7.690 7.690 7.883 -0.193 25195 9994 1 15 . 1 1 134 134 GLU N N 134 115.200 115.200 118.708 -3.508 25195 9995 1 15 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.228 -0.088 25195 9996 1 15 . 1 1 134 134 GLU C C 134 177.000 177.000 178.217 -1.217 25195 9997 1 15 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.572 0.228 25195 9998 1 15 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.911 -0.011 25195 9999 1 15 . 1 1 134 134 GLU H H 134 7.620 7.620 7.704 -0.084 25195 10000 1 15 . 1 1 135 135 LEU N N 135 115.600 115.600 120.346 -4.746 25195 10001 1 15 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.166 0.054 25195 10002 1 15 . 1 1 135 135 LEU C C 135 176.100 176.100 176.313 -0.213 25195 10003 1 15 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.411 -2.611 25195 10004 1 15 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.756 0.544 25195 10005 1 15 . 1 1 135 135 LEU H H 135 7.740 7.740 7.847 -0.107 25195 10006 1 16 . 1 1 9 9 MET C C 9 176.700 176.700 174.515 2.185 25195 10007 1 16 . 1 1 9 9 MET CA C 9 55.600 55.600 54.896 0.704 25195 10008 1 16 . 1 1 9 9 MET CB C 9 32.700 32.700 34.980 -2.280 25195 10009 1 16 . 1 1 10 10 GLY N N 10 109.800 109.800 109.102 0.698 25195 10010 1 16 . 1 1 10 10 GLY C C 10 174.400 174.400 172.985 1.415 25195 10011 1 16 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.065 0.235 25195 10012 1 16 . 1 1 10 10 GLY H H 10 8.480 8.480 8.317 0.163 25195 10013 1 16 . 1 1 11 11 THR N N 11 113.500 113.500 114.022 -0.522 25195 10014 1 16 . 1 1 11 11 THR HA H 11 4.330 4.330 4.952 -0.622 25195 10015 1 16 . 1 1 11 11 THR CA C 11 62.100 62.100 61.649 0.451 25195 10016 1 16 . 1 1 11 11 THR CB C 11 69.900 69.900 71.132 -1.232 25195 10017 1 16 . 1 1 11 11 THR H H 11 8.080 8.080 8.531 -0.451 25195 10018 1 16 . 1 1 12 12 LEU N N 12 123.900 123.900 121.068 2.832 25195 10019 1 16 . 1 1 12 12 LEU HA H 12 4.310 4.310 5.122 -0.812 25195 10020 1 16 . 1 1 12 12 LEU C C 12 177.700 177.700 174.999 2.701 25195 10021 1 16 . 1 1 12 12 LEU CA C 12 55.800 55.800 53.855 1.945 25195 10022 1 16 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.363 -2.163 25195 10023 1 16 . 1 1 12 12 LEU H H 12 8.390 8.390 8.924 -0.534 25195 10024 1 16 . 1 1 13 13 GLU N N 13 121.300 121.300 120.211 1.089 25195 10025 1 16 . 1 1 13 13 GLU HA H 13 4.200 4.200 5.259 -1.059 25195 10026 1 16 . 1 1 13 13 GLU C C 13 176.500 176.500 174.569 1.931 25195 10027 1 16 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.514 1.586 25195 10028 1 16 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.558 -1.659 25195 10029 1 16 . 1 1 13 13 GLU H H 13 8.430 8.430 9.271 -0.841 25195 10030 1 16 . 1 1 14 14 ALA N N 14 124.100 124.100 122.349 1.751 25195 10031 1 16 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.751 -0.481 25195 10032 1 16 . 1 1 14 14 ALA C C 14 177.900 177.900 175.670 2.230 25195 10033 1 16 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.430 1.370 25195 10034 1 16 . 1 1 14 14 ALA CB C 14 19.200 19.200 21.381 -2.182 25195 10035 1 16 . 1 1 14 14 ALA H H 14 8.270 8.270 8.476 -0.206 25195 10036 1 16 . 1 1 15 15 GLN N N 15 118.900 118.900 120.092 -1.192 25195 10037 1 16 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.405 -0.166 25195 10038 1 16 . 1 1 15 15 GLN C C 15 176.500 176.500 174.648 1.852 25195 10039 1 16 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.800 0.000 25195 10040 1 16 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.197 0.203 25195 10041 1 16 . 1 1 15 15 GLN H H 15 8.360 8.360 8.478 -0.118 25195 10042 1 16 . 1 1 16 16 THR N N 16 114.900 114.900 114.946 -0.046 25195 10043 1 16 . 1 1 16 16 THR HA H 16 4.360 4.360 4.544 -0.184 25195 10044 1 16 . 1 1 16 16 THR C C 16 174.600 174.600 174.056 0.544 25195 10045 1 16 . 1 1 16 16 THR CA C 16 61.900 61.900 61.668 0.232 25195 10046 1 16 . 1 1 16 16 THR CB C 16 69.800 69.800 70.013 -0.213 25195 10047 1 16 . 1 1 16 16 THR H H 16 8.190 8.190 7.927 0.263 25195 10048 1 16 . 1 1 17 17 GLN N N 17 122.100 122.100 123.001 -0.901 25195 10049 1 16 . 1 1 17 17 GLN C C 17 176.100 176.100 176.335 -0.235 25195 10050 1 16 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.120 -0.420 25195 10051 1 16 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.118 0.582 25195 10052 1 16 . 1 1 17 17 GLN H H 17 8.440 8.440 8.361 0.079 25195 10053 1 16 . 1 1 18 18 GLY N N 18 110.100 110.100 110.896 -0.796 25195 10054 1 16 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.198 0.502 25195 10055 1 16 . 1 1 18 18 GLY H H 18 8.370 8.370 8.483 -0.113 25195 10056 1 16 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.398 0.042 25195 10057 1 16 . 1 1 19 19 PRO C C 19 177.700 177.700 176.508 1.192 25195 10058 1 16 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.611 1.089 25195 10059 1 16 . 1 1 19 19 PRO CB C 19 32.400 32.400 30.877 1.523 25195 10060 1 16 . 1 1 20 20 GLY N N 20 109.200 109.200 110.652 -1.452 25195 10061 1 16 . 1 1 20 20 GLY C C 20 174.400 174.400 174.602 -0.202 25195 10062 1 16 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.325 1.075 25195 10063 1 16 . 1 1 20 20 GLY H H 20 8.620 8.620 7.750 0.870 25195 10064 1 16 . 1 1 21 21 SER N N 21 115.000 115.000 114.252 0.748 25195 10065 1 16 . 1 1 21 21 SER HA H 21 4.420 4.420 4.289 0.131 25195 10066 1 16 . 1 1 21 21 SER C C 21 174.600 174.600 173.659 0.941 25195 10067 1 16 . 1 1 21 21 SER CA C 21 58.600 58.600 58.678 -0.078 25195 10068 1 16 . 1 1 21 21 SER CB C 21 64.100 64.100 63.111 0.989 25195 10069 1 16 . 1 1 21 21 SER H H 21 8.180 8.180 8.324 -0.144 25195 10070 1 16 . 1 1 22 22 MET N N 22 121.500 121.500 118.378 3.122 25195 10071 1 16 . 1 1 22 22 MET HA H 22 4.440 4.440 4.591 -0.151 25195 10072 1 16 . 1 1 22 22 MET C C 22 175.100 175.100 175.248 -0.148 25195 10073 1 16 . 1 1 22 22 MET CA C 22 55.600 55.600 56.628 -1.028 25195 10074 1 16 . 1 1 22 22 MET CB C 22 33.600 33.600 33.090 0.510 25195 10075 1 16 . 1 1 22 22 MET H H 22 8.340 8.340 7.776 0.564 25195 10076 1 16 . 1 1 23 23 ASP N N 23 123.000 123.000 123.901 -0.901 25195 10077 1 16 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.853 -0.243 25195 10078 1 16 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.874 0.926 25195 10079 1 16 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.502 0.198 25195 10080 1 16 . 1 1 23 23 ASP H H 23 8.170 8.170 8.508 -0.338 25195 10081 1 16 . 1 1 24 24 VAL N N 24 123.200 123.200 121.662 1.538 25195 10082 1 16 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.677 0.363 25195 10083 1 16 . 1 1 24 24 VAL C C 24 174.900 174.900 175.063 -0.163 25195 10084 1 16 . 1 1 24 24 VAL CA C 24 60.900 60.900 61.303 -0.403 25195 10085 1 16 . 1 1 24 24 VAL CB C 24 35.100 35.100 32.639 2.461 25195 10086 1 16 . 1 1 24 24 VAL H H 24 8.210 8.210 8.321 -0.111 25195 10087 1 16 . 1 1 25 25 THR N N 25 124.200 124.200 124.888 -0.688 25195 10088 1 16 . 1 1 25 25 THR HA H 25 5.310 5.310 4.805 0.505 25195 10089 1 16 . 1 1 25 25 THR C C 25 172.300 172.300 172.864 -0.564 25195 10090 1 16 . 1 1 25 25 THR CA C 25 61.800 61.800 61.602 0.198 25195 10091 1 16 . 1 1 25 25 THR CB C 25 71.600 71.600 70.583 1.017 25195 10092 1 16 . 1 1 25 25 THR H H 25 9.170 9.170 9.124 0.046 25195 10093 1 16 . 1 1 26 26 ILE N N 26 122.500 122.500 124.420 -1.920 25195 10094 1 16 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.988 0.282 25195 10095 1 16 . 1 1 26 26 ILE C C 26 172.200 172.200 174.405 -2.205 25195 10096 1 16 . 1 1 26 26 ILE CA C 26 57.700 57.700 57.762 -0.062 25195 10097 1 16 . 1 1 26 26 ILE CB C 26 42.300 42.300 39.879 2.421 25195 10098 1 16 . 1 1 26 26 ILE H H 26 8.910 8.910 8.942 -0.032 25195 10099 1 16 . 1 1 27 27 TYR N N 27 129.400 129.400 124.833 4.567 25195 10100 1 16 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.544 -0.364 25195 10101 1 16 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.319 2.181 25195 10102 1 16 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.227 -2.127 25195 10103 1 16 . 1 1 27 27 TYR H H 27 9.090 9.090 9.222 -0.132 25195 10104 1 16 . 1 1 29 29 ASN CB C 29 42.700 42.700 40.365 2.335 25195 10105 1 16 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.288 0.562 25195 10106 1 16 . 1 1 30 30 PRO C C 30 177.000 177.000 175.668 1.332 25195 10107 1 16 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.034 1.166 25195 10108 1 16 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.223 2.477 25195 10109 1 16 . 1 1 31 31 VAL N N 31 112.100 112.100 123.932 -11.832 25195 10110 1 16 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.265 -0.105 25195 10111 1 16 . 1 1 31 31 VAL C C 31 175.000 175.000 175.515 -0.515 25195 10112 1 16 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.769 1.232 25195 10113 1 16 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.097 -1.597 25195 10114 1 16 . 1 1 31 31 VAL H H 31 7.290 7.290 8.340 -1.050 25195 10115 1 16 . 1 1 32 32 CYS N N 32 126.100 126.100 126.230 -0.130 25195 10116 1 16 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.114 0.246 25195 10117 1 16 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.772 -2.472 25195 10118 1 16 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.526 2.674 25195 10119 1 16 . 1 1 32 32 CYS H H 32 7.780 7.780 9.012 -1.232 25195 10120 1 16 . 1 1 33 33 GLY C C 33 177.400 177.400 175.938 1.462 25195 10121 1 16 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.723 0.977 25195 10122 1 16 . 1 1 34 34 THR N N 34 123.700 123.700 116.216 7.484 25195 10123 1 16 . 1 1 34 34 THR HA H 34 4.250 4.250 3.938 0.312 25195 10124 1 16 . 1 1 34 34 THR C C 34 175.600 175.600 176.207 -0.607 25195 10125 1 16 . 1 1 34 34 THR CA C 34 67.600 67.600 66.279 1.321 25195 10126 1 16 . 1 1 34 34 THR CB C 34 68.700 68.700 68.979 -0.279 25195 10127 1 16 . 1 1 34 34 THR H H 34 9.110 9.110 8.125 0.985 25195 10128 1 16 . 1 1 35 35 SER N N 35 123.600 123.600 117.657 5.943 25195 10129 1 16 . 1 1 35 35 SER C C 35 177.900 177.900 176.457 1.443 25195 10130 1 16 . 1 1 35 35 SER CA C 35 63.800 63.800 61.821 1.979 25195 10131 1 16 . 1 1 35 35 SER CB C 35 63.800 63.800 63.224 0.576 25195 10132 1 16 . 1 1 35 35 SER H H 35 9.530 9.530 8.389 1.141 25195 10133 1 16 . 1 1 36 36 ARG N N 36 113.400 113.400 121.350 -7.950 25195 10134 1 16 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.100 -0.100 25195 10135 1 16 . 1 1 36 36 ARG C C 36 179.200 179.200 178.138 1.062 25195 10136 1 16 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.475 2.825 25195 10137 1 16 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.548 1.752 25195 10138 1 16 . 1 1 36 36 ARG H H 36 8.740 8.740 8.169 0.571 25195 10139 1 16 . 1 1 37 37 LYS N N 37 121.900 121.900 120.007 1.893 25195 10140 1 16 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.044 0.096 25195 10141 1 16 . 1 1 37 37 LYS C C 37 179.400 179.400 178.998 0.402 25195 10142 1 16 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.149 0.551 25195 10143 1 16 . 1 1 37 37 LYS CB C 37 32.600 32.600 31.686 0.914 25195 10144 1 16 . 1 1 37 37 LYS H H 37 7.980 7.980 7.946 0.034 25195 10145 1 16 . 1 1 38 38 VAL N N 38 120.900 120.900 119.311 1.589 25195 10146 1 16 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.511 0.109 25195 10147 1 16 . 1 1 38 38 VAL C C 38 177.300 177.300 177.855 -0.555 25195 10148 1 16 . 1 1 38 38 VAL CA C 38 67.300 67.300 67.033 0.267 25195 10149 1 16 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.588 0.312 25195 10150 1 16 . 1 1 38 38 VAL H H 38 8.670 8.670 8.046 0.624 25195 10151 1 16 . 1 1 39 39 LEU N N 39 120.200 120.200 119.703 0.497 25195 10152 1 16 . 1 1 39 39 LEU C C 39 178.300 178.300 179.293 -0.993 25195 10153 1 16 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.790 0.810 25195 10154 1 16 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.370 0.230 25195 10155 1 16 . 1 1 39 39 LEU H H 39 8.300 8.300 8.188 0.112 25195 10156 1 16 . 1 1 40 40 GLY N N 40 103.600 103.600 107.624 -4.024 25195 10157 1 16 . 1 1 40 40 GLY C C 40 176.600 176.600 176.355 0.245 25195 10158 1 16 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.155 0.245 25195 10159 1 16 . 1 1 40 40 GLY H H 40 8.050 8.050 8.433 -0.383 25195 10160 1 16 . 1 1 41 41 MET N N 41 122.300 122.300 122.097 0.203 25195 10161 1 16 . 1 1 41 41 MET HA H 41 4.030 4.030 4.315 -0.285 25195 10162 1 16 . 1 1 41 41 MET C C 41 179.200 179.200 179.279 -0.079 25195 10163 1 16 . 1 1 41 41 MET CA C 41 59.900 59.900 58.313 1.587 25195 10164 1 16 . 1 1 41 41 MET CB C 41 33.600 33.600 32.006 1.594 25195 10165 1 16 . 1 1 41 41 MET H H 41 8.310 8.310 7.915 0.395 25195 10166 1 16 . 1 1 42 42 ILE N N 42 120.600 120.600 119.504 1.096 25195 10167 1 16 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.556 -0.016 25195 10168 1 16 . 1 1 42 42 ILE C C 42 177.600 177.600 178.020 -0.420 25195 10169 1 16 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.265 0.935 25195 10170 1 16 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.353 1.747 25195 10171 1 16 . 1 1 42 42 ILE H H 42 8.260 8.260 8.295 -0.035 25195 10172 1 16 . 1 1 43 43 ARG N N 43 117.200 117.200 120.010 -2.810 25195 10173 1 16 . 1 1 43 43 ARG C C 43 182.100 182.100 178.785 3.315 25195 10174 1 16 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.315 -0.215 25195 10175 1 16 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.197 -0.797 25195 10176 1 16 . 1 1 43 43 ARG H H 43 7.810 7.810 8.319 -0.509 25195 10177 1 16 . 1 1 44 44 GLU N N 44 122.200 122.200 118.683 3.517 25195 10178 1 16 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.130 -0.080 25195 10179 1 16 . 1 1 44 44 GLU C C 44 177.600 177.600 178.259 -0.659 25195 10180 1 16 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.516 0.584 25195 10181 1 16 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.658 -0.158 25195 10182 1 16 . 1 1 44 44 GLU H H 44 8.670 8.670 7.970 0.700 25195 10183 1 16 . 1 1 45 45 ALA N N 45 120.400 120.400 120.971 -0.571 25195 10184 1 16 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.165 0.255 25195 10185 1 16 . 1 1 45 45 ALA C C 45 177.300 177.300 178.131 -0.831 25195 10186 1 16 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.856 -0.356 25195 10187 1 16 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.537 -1.137 25195 10188 1 16 . 1 1 45 45 ALA H H 45 7.430 7.430 7.886 -0.456 25195 10189 1 16 . 1 1 46 46 GLY N N 46 106.000 106.000 106.153 -0.153 25195 10190 1 16 . 1 1 46 46 GLY C C 46 173.800 173.800 173.732 0.068 25195 10191 1 16 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.739 0.561 25195 10192 1 16 . 1 1 46 46 GLY H H 46 8.080 8.080 7.778 0.302 25195 10193 1 16 . 1 1 47 47 ILE N N 47 121.500 121.500 119.478 2.022 25195 10194 1 16 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.411 -0.311 25195 10195 1 16 . 1 1 47 47 ILE C C 47 174.100 174.100 174.532 -0.432 25195 10196 1 16 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.288 1.412 25195 10197 1 16 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.593 0.506 25195 10198 1 16 . 1 1 47 47 ILE H H 47 7.180 7.180 7.606 -0.426 25195 10199 1 16 . 1 1 48 48 GLU N N 48 127.000 127.000 123.864 3.136 25195 10200 1 16 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.672 0.528 25195 10201 1 16 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.696 -1.396 25195 10202 1 16 . 1 1 48 48 GLU CB C 48 29.400 29.400 29.801 -0.401 25195 10203 1 16 . 1 1 48 48 GLU H H 48 8.440 8.440 8.571 -0.131 25195 10204 1 16 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.645 -0.005 25195 10205 1 16 . 1 1 49 49 PRO C C 49 175.200 175.200 176.363 -1.163 25195 10206 1 16 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.416 -0.516 25195 10207 1 16 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.552 0.148 25195 10208 1 16 . 1 1 50 50 HIS N N 50 119.000 119.000 121.088 -2.088 25195 10209 1 16 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.697 0.003 25195 10210 1 16 . 1 1 50 50 HIS C C 50 174.200 174.200 174.806 -0.606 25195 10211 1 16 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.664 0.736 25195 10212 1 16 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.315 -2.215 25195 10213 1 16 . 1 1 50 50 HIS H H 50 9.160 9.160 8.351 0.809 25195 10214 1 16 . 1 1 51 51 VAL N N 51 128.400 128.400 127.361 1.039 25195 10215 1 16 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.310 -0.070 25195 10216 1 16 . 1 1 51 51 VAL C C 51 175.600 175.600 175.335 0.265 25195 10217 1 16 . 1 1 51 51 VAL CA C 51 62.200 62.200 63.122 -0.922 25195 10218 1 16 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.458 0.742 25195 10219 1 16 . 1 1 51 51 VAL H H 51 8.760 8.760 8.782 -0.022 25195 10220 1 16 . 1 1 52 52 ILE N N 52 129.400 129.400 128.954 0.446 25195 10221 1 16 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.400 -0.180 25195 10222 1 16 . 1 1 52 52 ILE C C 52 176.500 176.500 174.506 1.994 25195 10223 1 16 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.340 -0.040 25195 10224 1 16 . 1 1 52 52 ILE CB C 52 38.200 38.200 40.939 -2.739 25195 10225 1 16 . 1 1 52 52 ILE H H 52 9.000 9.000 8.706 0.294 25195 10226 1 16 . 1 1 53 53 GLU N N 53 129.900 129.900 127.646 2.254 25195 10227 1 16 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.584 0.546 25195 10228 1 16 . 1 1 53 53 GLU C C 53 174.200 174.200 175.359 -1.159 25195 10229 1 16 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.678 0.222 25195 10230 1 16 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.867 -1.567 25195 10231 1 16 . 1 1 53 53 GLU H H 53 9.180 9.180 8.659 0.521 25195 10232 1 16 . 1 1 54 54 TYR N N 54 124.200 124.200 126.706 -2.506 25195 10233 1 16 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.768 0.432 25195 10234 1 16 . 1 1 54 54 TYR C C 54 174.200 174.200 175.251 -1.051 25195 10235 1 16 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.102 -3.002 25195 10236 1 16 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.285 -2.285 25195 10237 1 16 . 1 1 54 54 TYR H H 54 8.460 8.460 8.553 -0.093 25195 10238 1 16 . 1 1 55 55 MET N N 55 121.900 121.900 123.013 -1.113 25195 10239 1 16 . 1 1 55 55 MET H H 55 7.660 7.660 7.914 -0.254 25195 10240 1 16 . 1 1 56 56 LYS C C 56 176.700 176.700 175.658 1.042 25195 10241 1 16 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.849 0.051 25195 10242 1 16 . 1 1 56 56 LYS CB C 56 29.200 29.200 32.714 -3.514 25195 10243 1 16 . 1 1 57 57 THR N N 57 114.700 114.700 111.391 3.309 25195 10244 1 16 . 1 1 57 57 THR HA H 57 4.720 4.720 4.582 0.138 25195 10245 1 16 . 1 1 57 57 THR CB C 57 70.500 70.500 68.914 1.586 25195 10246 1 16 . 1 1 57 57 THR H H 57 7.940 7.940 8.026 -0.086 25195 10247 1 16 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.550 0.150 25195 10248 1 16 . 1 1 58 58 PRO C C 58 177.400 177.400 175.267 2.133 25195 10249 1 16 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.699 0.101 25195 10250 1 16 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.450 0.150 25195 10251 1 16 . 1 1 59 59 LEU N N 59 125.300 125.300 123.418 1.882 25195 10252 1 16 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.746 -0.166 25195 10253 1 16 . 1 1 59 59 LEU CB C 59 42.300 42.300 42.170 0.129 25195 10254 1 16 . 1 1 59 59 LEU H H 59 8.760 8.760 8.256 0.504 25195 10255 1 16 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.656 -0.146 25195 10256 1 16 . 1 1 60 60 PRO C C 60 178.400 178.400 177.782 0.618 25195 10257 1 16 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.183 -0.083 25195 10258 1 16 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.581 -0.281 25195 10259 1 16 . 1 1 61 61 ARG N N 61 125.800 125.800 120.643 5.157 25195 10260 1 16 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.930 -0.230 25195 10261 1 16 . 1 1 61 61 ARG C C 61 177.800 177.800 177.690 0.110 25195 10262 1 16 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.417 1.383 25195 10263 1 16 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.116 1.284 25195 10264 1 16 . 1 1 61 61 ARG H H 61 8.980 8.980 8.841 0.139 25195 10265 1 16 . 1 1 62 62 ASP N N 62 113.300 113.300 120.352 -7.052 25195 10266 1 16 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.463 -0.223 25195 10267 1 16 . 1 1 62 62 ASP C C 62 179.100 179.100 178.444 0.656 25195 10268 1 16 . 1 1 62 62 ASP CA C 62 57.000 57.000 56.689 0.311 25195 10269 1 16 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.378 -0.678 25195 10270 1 16 . 1 1 62 62 ASP H H 62 8.820 8.820 8.438 0.382 25195 10271 1 16 . 1 1 63 63 MET N N 63 118.800 118.800 118.572 0.228 25195 10272 1 16 . 1 1 63 63 MET HA H 63 4.460 4.460 4.170 0.290 25195 10273 1 16 . 1 1 63 63 MET C C 63 177.700 177.700 178.782 -1.082 25195 10274 1 16 . 1 1 63 63 MET CA C 63 57.200 57.200 58.267 -1.067 25195 10275 1 16 . 1 1 63 63 MET CB C 63 32.500 32.500 31.918 0.582 25195 10276 1 16 . 1 1 63 63 MET H H 63 7.340 7.340 8.073 -0.733 25195 10277 1 16 . 1 1 64 64 LEU N N 64 121.000 121.000 120.868 0.132 25195 10278 1 16 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.041 -0.081 25195 10279 1 16 . 1 1 64 64 LEU C C 64 178.000 178.000 178.852 -0.852 25195 10280 1 16 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.324 -0.024 25195 10281 1 16 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.959 -0.558 25195 10282 1 16 . 1 1 64 64 LEU H H 64 7.570 7.570 8.440 -0.870 25195 10283 1 16 . 1 1 65 65 VAL N N 65 117.200 117.200 119.201 -2.001 25195 10284 1 16 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.615 -0.185 25195 10285 1 16 . 1 1 65 65 VAL C C 65 178.500 178.500 178.343 0.157 25195 10286 1 16 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.749 0.851 25195 10287 1 16 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.120 0.880 25195 10288 1 16 . 1 1 65 65 VAL H H 65 8.250 8.250 8.108 0.142 25195 10289 1 16 . 1 1 66 66 GLU N N 66 120.200 120.200 120.857 -0.657 25195 10290 1 16 . 1 1 66 66 GLU HA H 66 4.340 4.340 3.972 0.368 25195 10291 1 16 . 1 1 66 66 GLU C C 66 178.500 178.500 179.107 -0.607 25195 10292 1 16 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.768 -1.068 25195 10293 1 16 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.598 -0.398 25195 10294 1 16 . 1 1 66 66 GLU H H 66 7.510 7.510 8.168 -0.658 25195 10295 1 16 . 1 1 67 67 LEU N N 67 121.100 121.100 119.398 1.702 25195 10296 1 16 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.104 -0.114 25195 10297 1 16 . 1 1 67 67 LEU C C 67 179.400 179.400 178.862 0.538 25195 10298 1 16 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.182 0.218 25195 10299 1 16 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.052 -0.252 25195 10300 1 16 . 1 1 67 67 LEU H H 67 8.480 8.480 8.024 0.456 25195 10301 1 16 . 1 1 68 68 LEU N N 68 118.500 118.500 119.482 -0.982 25195 10302 1 16 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.121 -0.341 25195 10303 1 16 . 1 1 68 68 LEU C C 68 179.100 179.100 178.432 0.668 25195 10304 1 16 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.302 0.398 25195 10305 1 16 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.482 -0.082 25195 10306 1 16 . 1 1 68 68 LEU H H 68 8.250 8.250 8.271 -0.021 25195 10307 1 16 . 1 1 69 69 ARG N N 69 119.200 119.200 118.310 0.890 25195 10308 1 16 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.257 -0.207 25195 10309 1 16 . 1 1 69 69 ARG C C 69 180.400 180.400 178.239 2.161 25195 10310 1 16 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.300 1.200 25195 10311 1 16 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.996 0.104 25195 10312 1 16 . 1 1 69 69 ARG H H 69 7.950 7.950 8.499 -0.549 25195 10313 1 16 . 1 1 70 70 GLN N N 70 118.500 118.500 117.226 1.274 25195 10314 1 16 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.185 -0.155 25195 10315 1 16 . 1 1 70 70 GLN C C 70 179.900 179.900 177.936 1.964 25195 10316 1 16 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.703 1.197 25195 10317 1 16 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.512 0.888 25195 10318 1 16 . 1 1 70 70 GLN H H 70 8.450 8.450 7.825 0.625 25195 10319 1 16 . 1 1 71 71 MET N N 71 117.500 117.500 118.877 -1.377 25195 10320 1 16 . 1 1 71 71 MET HA H 71 4.140 4.140 4.165 -0.025 25195 10321 1 16 . 1 1 71 71 MET C C 71 175.200 175.200 176.917 -1.717 25195 10322 1 16 . 1 1 71 71 MET CA C 71 58.200 58.200 57.941 0.259 25195 10323 1 16 . 1 1 71 71 MET CB C 71 36.200 36.200 33.220 2.980 25195 10324 1 16 . 1 1 71 71 MET H H 71 8.380 8.380 7.850 0.530 25195 10325 1 16 . 1 1 72 72 ALA N N 72 120.400 120.400 117.796 2.604 25195 10326 1 16 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.462 -0.432 25195 10327 1 16 . 1 1 72 72 ALA C C 72 176.600 176.600 176.914 -0.314 25195 10328 1 16 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.315 0.485 25195 10329 1 16 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.348 -4.848 25195 10330 1 16 . 1 1 72 72 ALA H H 72 8.100 8.100 7.627 0.473 25195 10331 1 16 . 1 1 73 73 ILE N N 73 108.600 108.600 116.983 -8.383 25195 10332 1 16 . 1 1 73 73 ILE C C 73 174.700 174.700 175.203 -0.503 25195 10333 1 16 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.860 0.040 25195 10334 1 16 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.254 2.346 25195 10335 1 16 . 1 1 73 73 ILE H H 73 7.240 7.240 7.694 -0.454 25195 10336 1 16 . 1 1 74 74 SER N N 74 116.500 116.500 117.725 -1.225 25195 10337 1 16 . 1 1 74 74 SER HA H 74 4.780 4.780 4.485 0.295 25195 10338 1 16 . 1 1 74 74 SER CA C 74 55.900 55.900 58.057 -2.157 25195 10339 1 16 . 1 1 74 74 SER CB C 74 63.500 63.500 63.204 0.296 25195 10340 1 16 . 1 1 74 74 SER H H 74 8.290 8.290 8.536 -0.246 25195 10341 1 16 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.398 0.362 25195 10342 1 16 . 1 1 75 75 PRO C C 75 178.200 178.200 177.276 0.924 25195 10343 1 16 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.716 0.884 25195 10344 1 16 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.845 0.255 25195 10345 1 16 . 1 1 76 76 ARG N N 76 114.400 114.400 116.891 -2.491 25195 10346 1 16 . 1 1 76 76 ARG C C 76 178.100 178.100 176.555 1.545 25195 10347 1 16 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.537 1.463 25195 10348 1 16 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.758 -0.358 25195 10349 1 16 . 1 1 76 76 ARG H H 76 8.340 8.340 8.026 0.314 25195 10350 1 16 . 1 1 77 77 ALA N N 77 119.400 119.400 119.602 -0.202 25195 10351 1 16 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.486 -0.256 25195 10352 1 16 . 1 1 77 77 ALA C C 77 178.100 178.100 176.675 1.425 25195 10353 1 16 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.065 2.735 25195 10354 1 16 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.923 -0.323 25195 10355 1 16 . 1 1 77 77 ALA H H 77 7.720 7.720 7.505 0.215 25195 10356 1 16 . 1 1 78 78 LEU N N 78 119.400 119.400 120.192 -0.792 25195 10357 1 16 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.355 0.025 25195 10358 1 16 . 1 1 78 78 LEU C C 78 174.800 174.800 176.792 -1.992 25195 10359 1 16 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.535 -2.635 25195 10360 1 16 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.560 0.540 25195 10361 1 16 . 1 1 78 78 LEU H H 78 7.610 7.610 7.264 0.346 25195 10362 1 16 . 1 1 79 79 LEU N N 79 118.700 118.700 120.608 -1.908 25195 10363 1 16 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.952 0.698 25195 10364 1 16 . 1 1 79 79 LEU C C 79 178.900 178.900 176.804 2.096 25195 10365 1 16 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.994 0.106 25195 10366 1 16 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.406 5.194 25195 10367 1 16 . 1 1 79 79 LEU H H 79 7.220 7.220 7.844 -0.624 25195 10368 1 16 . 1 1 80 80 ARG N N 80 124.000 124.000 124.127 -0.127 25195 10369 1 16 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.088 0.132 25195 10370 1 16 . 1 1 80 80 ARG C C 80 174.800 174.800 177.182 -2.382 25195 10371 1 16 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.425 -0.225 25195 10372 1 16 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.574 0.126 25195 10373 1 16 . 1 1 80 80 ARG H H 80 8.780 8.780 7.950 0.830 25195 10374 1 16 . 1 1 81 81 ALA N N 81 124.400 124.400 122.881 1.519 25195 10375 1 16 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.231 -1.741 25195 10376 1 16 . 1 1 81 81 ALA C C 81 177.600 177.600 178.535 -0.935 25195 10377 1 16 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.630 -1.930 25195 10378 1 16 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.958 -0.358 25195 10379 1 16 . 1 1 81 81 ALA H H 81 7.420 7.420 8.648 -1.228 25195 10380 1 16 . 1 1 82 82 LYS N N 82 114.500 114.500 117.352 -2.852 25195 10381 1 16 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.031 0.219 25195 10382 1 16 . 1 1 82 82 LYS C C 82 177.700 177.700 178.381 -0.681 25195 10383 1 16 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.105 -2.305 25195 10384 1 16 . 1 1 82 82 LYS CB C 82 31.400 31.400 31.975 -0.575 25195 10385 1 16 . 1 1 82 82 LYS H H 82 8.190 8.190 8.352 -0.162 25195 10386 1 16 . 1 1 83 83 GLU N N 83 118.700 118.700 119.497 -0.797 25195 10387 1 16 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.362 -0.162 25195 10388 1 16 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.547 1.253 25195 10389 1 16 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.933 1.367 25195 10390 1 16 . 1 1 83 83 GLU H H 83 7.120 7.120 7.760 -0.640 25195 10391 1 16 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.926 0.284 25195 10392 1 16 . 1 1 84 84 ALA C C 84 180.900 180.900 179.162 1.738 25195 10393 1 16 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.690 0.010 25195 10394 1 16 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.668 -0.868 25195 10395 1 16 . 1 1 85 85 ARG N N 85 115.800 115.800 118.250 -2.450 25195 10396 1 16 . 1 1 85 85 ARG HA H 85 4.060 4.060 4.001 0.059 25195 10397 1 16 . 1 1 85 85 ARG C C 85 178.200 178.200 178.665 -0.465 25195 10398 1 16 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.837 -1.937 25195 10399 1 16 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.378 0.522 25195 10400 1 16 . 1 1 85 85 ARG H H 85 9.280 9.280 8.285 0.995 25195 10401 1 16 . 1 1 86 86 TYR N N 86 118.300 118.300 120.563 -2.263 25195 10402 1 16 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.080 -0.240 25195 10403 1 16 . 1 1 86 86 TYR C C 86 176.500 176.500 176.654 -0.154 25195 10404 1 16 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.636 -0.436 25195 10405 1 16 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.619 0.581 25195 10406 1 16 . 1 1 86 86 TYR H H 86 7.270 7.270 8.691 -1.421 25195 10407 1 16 . 1 1 87 87 ALA N N 87 120.500 120.500 119.544 0.956 25195 10408 1 16 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.431 0.909 25195 10409 1 16 . 1 1 87 87 ALA C C 87 181.900 181.900 179.665 2.235 25195 10410 1 16 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.150 0.250 25195 10411 1 16 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.811 0.589 25195 10412 1 16 . 1 1 87 87 ALA H H 87 7.110 7.110 7.761 -0.651 25195 10413 1 16 . 1 1 88 88 GLU N N 88 119.500 119.500 118.892 0.608 25195 10414 1 16 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.000 -0.020 25195 10415 1 16 . 1 1 88 88 GLU C C 88 178.800 178.800 178.668 0.132 25195 10416 1 16 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.610 0.690 25195 10417 1 16 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.721 0.778 25195 10418 1 16 . 1 1 88 88 GLU H H 88 8.240 8.240 7.949 0.291 25195 10419 1 16 . 1 1 89 89 LEU N N 89 115.100 115.100 117.407 -2.307 25195 10420 1 16 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.217 0.063 25195 10421 1 16 . 1 1 89 89 LEU C C 89 176.900 176.900 177.333 -0.433 25195 10422 1 16 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.524 -1.024 25195 10423 1 16 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.309 0.491 25195 10424 1 16 . 1 1 89 89 LEU H H 89 7.430 7.430 7.963 -0.533 25195 10425 1 16 . 1 1 90 90 GLY N N 90 108.200 108.200 106.139 2.061 25195 10426 1 16 . 1 1 90 90 GLY C C 90 176.900 176.900 175.872 1.028 25195 10427 1 16 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.580 1.420 25195 10428 1 16 . 1 1 90 90 GLY H H 90 7.690 7.690 7.488 0.202 25195 10429 1 16 . 1 1 91 91 LEU N N 91 113.000 113.000 120.231 -7.231 25195 10430 1 16 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.086 -0.316 25195 10431 1 16 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.232 -1.532 25195 10432 1 16 . 1 1 91 91 LEU CB C 91 39.300 39.300 40.928 -1.628 25195 10433 1 16 . 1 1 91 91 LEU H H 91 7.000 7.000 7.393 -0.393 25195 10434 1 16 . 1 1 92 92 ASP N N 92 117.000 117.000 115.565 1.435 25195 10435 1 16 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.502 -0.062 25195 10436 1 16 . 1 1 92 92 ASP C C 92 175.400 175.400 176.070 -0.670 25195 10437 1 16 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.630 -0.830 25195 10438 1 16 . 1 1 92 92 ASP CB C 92 40.700 40.700 41.017 -0.317 25195 10439 1 16 . 1 1 92 92 ASP H H 92 8.510 8.510 7.788 0.722 25195 10440 1 16 . 1 1 93 93 ASP N N 93 120.600 120.600 120.227 0.373 25195 10441 1 16 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.552 0.028 25195 10442 1 16 . 1 1 93 93 ASP C C 93 176.000 176.000 176.913 -0.913 25195 10443 1 16 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.059 -0.959 25195 10444 1 16 . 1 1 93 93 ASP CB C 93 41.500 41.500 41.861 -0.361 25195 10445 1 16 . 1 1 93 93 ASP H H 93 7.000 7.000 7.536 -0.536 25195 10446 1 16 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.348 -0.048 25195 10447 1 16 . 1 1 94 94 PRO C C 94 178.100 178.100 176.639 1.461 25195 10448 1 16 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.865 -0.065 25195 10449 1 16 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.104 0.096 25195 10450 1 16 . 1 1 95 95 ALA N N 95 121.900 121.900 120.917 0.983 25195 10451 1 16 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.241 0.029 25195 10452 1 16 . 1 1 95 95 ALA C C 95 178.400 178.400 178.275 0.125 25195 10453 1 16 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.662 -0.162 25195 10454 1 16 . 1 1 95 95 ALA CB C 95 19.200 19.200 19.193 0.007 25195 10455 1 16 . 1 1 95 95 ALA H H 95 8.610 8.610 8.346 0.264 25195 10456 1 16 . 1 1 96 96 LEU N N 96 117.600 117.600 119.168 -1.568 25195 10457 1 16 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.151 0.019 25195 10458 1 16 . 1 1 96 96 LEU C C 96 177.600 177.600 177.114 0.486 25195 10459 1 16 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.848 -0.348 25195 10460 1 16 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.384 0.016 25195 10461 1 16 . 1 1 96 96 LEU H H 96 7.010 7.010 7.719 -0.709 25195 10462 1 16 . 1 1 97 97 SER N N 97 119.200 119.200 112.458 6.742 25195 10463 1 16 . 1 1 97 97 SER HA H 97 4.360 4.360 4.790 -0.430 25195 10464 1 16 . 1 1 97 97 SER C C 97 174.400 174.400 174.507 -0.107 25195 10465 1 16 . 1 1 97 97 SER CA C 97 57.300 57.300 57.046 0.254 25195 10466 1 16 . 1 1 97 97 SER CB C 97 64.900 64.900 65.565 -0.665 25195 10467 1 16 . 1 1 97 97 SER H H 97 8.620 8.620 8.062 0.558 25195 10468 1 16 . 1 1 98 98 ASP N N 98 122.000 122.000 122.443 -0.443 25195 10469 1 16 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.346 -0.076 25195 10470 1 16 . 1 1 98 98 ASP C C 98 178.100 178.100 177.824 0.276 25195 10471 1 16 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.423 0.377 25195 10472 1 16 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.569 -0.469 25195 10473 1 16 . 1 1 98 98 ASP H H 98 9.050 9.050 8.858 0.192 25195 10474 1 16 . 1 1 99 99 GLU N N 99 116.100 116.100 120.597 -4.497 25195 10475 1 16 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.023 -0.233 25195 10476 1 16 . 1 1 99 99 GLU C C 99 176.800 176.800 179.012 -2.212 25195 10477 1 16 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.739 0.161 25195 10478 1 16 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.375 -0.175 25195 10479 1 16 . 1 1 99 99 GLU H H 99 8.250 8.250 8.706 -0.456 25195 10480 1 16 . 1 1 100 100 VAL N N 100 118.000 118.000 116.815 1.185 25195 10481 1 16 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.799 0.011 25195 10482 1 16 . 1 1 100 100 VAL C C 100 179.200 179.200 178.209 0.991 25195 10483 1 16 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.312 0.288 25195 10484 1 16 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.376 0.024 25195 10485 1 16 . 1 1 100 100 VAL H H 100 7.290 7.290 7.454 -0.164 25195 10486 1 16 . 1 1 101 101 LEU N N 101 120.100 120.100 121.171 -1.071 25195 10487 1 16 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.039 -0.089 25195 10488 1 16 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.016 0.084 25195 10489 1 16 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.924 0.576 25195 10490 1 16 . 1 1 101 101 LEU H H 101 7.610 7.610 7.751 -0.141 25195 10491 1 16 . 1 1 102 102 ILE N N 102 118.900 118.900 119.859 -0.959 25195 10492 1 16 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.531 -0.111 25195 10493 1 16 . 1 1 102 102 ILE C C 102 177.700 177.700 177.627 0.073 25195 10494 1 16 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.329 0.071 25195 10495 1 16 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.547 0.953 25195 10496 1 16 . 1 1 102 102 ILE H H 102 8.260 8.260 8.679 -0.419 25195 10497 1 16 . 1 1 103 103 ASP N N 103 118.000 118.000 120.142 -2.142 25195 10498 1 16 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.277 0.043 25195 10499 1 16 . 1 1 103 103 ASP C C 103 179.400 179.400 178.089 1.311 25195 10500 1 16 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.478 0.322 25195 10501 1 16 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.838 -0.738 25195 10502 1 16 . 1 1 103 103 ASP H H 103 8.080 8.080 8.040 0.040 25195 10503 1 16 . 1 1 104 104 ALA N N 104 121.500 121.500 121.587 -0.087 25195 10504 1 16 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.169 -0.099 25195 10505 1 16 . 1 1 104 104 ALA C C 104 179.900 179.900 179.560 0.340 25195 10506 1 16 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.567 0.833 25195 10507 1 16 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.578 -0.878 25195 10508 1 16 . 1 1 104 104 ALA H H 104 8.210 8.210 7.891 0.319 25195 10509 1 16 . 1 1 105 105 MET N N 105 115.800 115.800 119.252 -3.452 25195 10510 1 16 . 1 1 105 105 MET HA H 105 3.940 3.940 4.097 -0.157 25195 10511 1 16 . 1 1 105 105 MET C C 105 176.700 176.700 178.410 -1.710 25195 10512 1 16 . 1 1 105 105 MET CA C 105 59.500 59.500 59.087 0.413 25195 10513 1 16 . 1 1 105 105 MET CB C 105 35.400 35.400 32.960 2.440 25195 10514 1 16 . 1 1 105 105 MET H H 105 7.520 7.520 7.744 -0.224 25195 10515 1 16 . 1 1 106 106 ILE N N 106 118.100 118.100 114.579 3.521 25195 10516 1 16 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.927 0.093 25195 10517 1 16 . 1 1 106 106 ILE C C 106 178.200 178.200 177.246 0.954 25195 10518 1 16 . 1 1 106 106 ILE CA C 106 62.000 62.000 62.893 -0.893 25195 10519 1 16 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.279 0.421 25195 10520 1 16 . 1 1 106 106 ILE H H 106 7.730 7.730 8.138 -0.408 25195 10521 1 16 . 1 1 107 107 SER N N 107 112.400 112.400 113.332 -0.932 25195 10522 1 16 . 1 1 107 107 SER HA H 107 4.340 4.340 4.454 -0.114 25195 10523 1 16 . 1 1 107 107 SER C C 107 174.800 174.800 175.091 -0.291 25195 10524 1 16 . 1 1 107 107 SER CA C 107 60.400 60.400 58.743 1.657 25195 10525 1 16 . 1 1 107 107 SER CB C 107 64.000 64.000 64.447 -0.447 25195 10526 1 16 . 1 1 107 107 SER H H 107 8.160 8.160 7.720 0.440 25195 10527 1 16 . 1 1 108 108 ASN N N 108 116.400 116.400 120.992 -4.592 25195 10528 1 16 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.972 0.318 25195 10529 1 16 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.501 -1.401 25195 10530 1 16 . 1 1 108 108 ASN CB C 108 40.200 40.200 39.181 1.019 25195 10531 1 16 . 1 1 108 108 ASN H H 108 7.700 7.700 7.933 -0.233 25195 10532 1 16 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.397 0.373 25195 10533 1 16 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.994 0.806 25195 10534 1 16 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.623 0.577 25195 10535 1 16 . 1 1 110 110 VAL N N 110 119.100 119.100 113.405 5.695 25195 10536 1 16 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.900 0.150 25195 10537 1 16 . 1 1 110 110 VAL C C 110 175.200 175.200 176.428 -1.228 25195 10538 1 16 . 1 1 110 110 VAL CA C 110 64.600 64.600 64.065 0.535 25195 10539 1 16 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.911 0.289 25195 10540 1 16 . 1 1 110 110 VAL H H 110 8.280 8.280 7.778 0.502 25195 10541 1 16 . 1 1 111 111 LEU N N 111 115.200 115.200 113.669 1.531 25195 10542 1 16 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.439 -0.039 25195 10543 1 16 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.109 2.091 25195 10544 1 16 . 1 1 111 111 LEU H H 111 8.420 8.420 7.310 1.110 25195 10545 1 16 . 1 1 112 112 MET N N 112 118.900 118.900 121.102 -2.202 25195 10546 1 16 . 1 1 112 112 MET HA H 112 4.060 4.060 4.204 -0.144 25195 10547 1 16 . 1 1 112 112 MET CA C 112 56.500 56.500 56.884 -0.384 25195 10548 1 16 . 1 1 112 112 MET CB C 112 35.600 35.600 31.838 3.762 25195 10549 1 16 . 1 1 112 112 MET H H 112 7.940 7.940 7.778 0.162 25195 10550 1 16 . 1 1 113 113 ASN N N 113 125.800 125.800 122.053 3.747 25195 10551 1 16 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.773 -0.133 25195 10552 1 16 . 1 1 113 113 ASN C C 113 170.700 170.700 175.885 -5.185 25195 10553 1 16 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.532 -1.333 25195 10554 1 16 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.559 -1.659 25195 10555 1 16 . 1 1 113 113 ASN H H 113 9.140 9.140 8.284 0.856 25195 10556 1 16 . 1 1 114 114 ARG N N 114 113.200 113.200 120.852 -7.652 25195 10557 1 16 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.872 -5.072 25195 10558 1 16 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.866 1.934 25195 10559 1 16 . 1 1 114 114 ARG H H 114 7.970 7.970 8.133 -0.163 25195 10560 1 16 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.824 -0.004 25195 10561 1 16 . 1 1 115 115 PRO C C 115 175.400 175.400 176.085 -0.685 25195 10562 1 16 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.762 -0.162 25195 10563 1 16 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.213 2.187 25195 10564 1 16 . 1 1 116 116 VAL N N 116 124.500 124.500 126.654 -2.154 25195 10565 1 16 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.365 0.715 25195 10566 1 16 . 1 1 116 116 VAL C C 116 174.500 174.500 174.356 0.144 25195 10567 1 16 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.480 1.020 25195 10568 1 16 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.889 -2.889 25195 10569 1 16 . 1 1 116 116 VAL H H 116 7.840 7.840 8.877 -1.037 25195 10570 1 16 . 1 1 117 117 VAL N N 117 128.000 128.000 126.635 1.365 25195 10571 1 16 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.436 0.344 25195 10572 1 16 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.983 0.017 25195 10573 1 16 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.142 0.658 25195 10574 1 16 . 1 1 117 117 VAL H H 117 8.670 8.670 9.092 -0.422 25195 10575 1 16 . 1 1 118 118 VAL N N 118 125.700 125.700 129.110 -3.410 25195 10576 1 16 . 1 1 118 118 VAL C C 118 175.700 175.700 174.630 1.070 25195 10577 1 16 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.748 0.452 25195 10578 1 16 . 1 1 118 118 VAL CB C 118 35.000 35.000 31.934 3.066 25195 10579 1 16 . 1 1 118 118 VAL H H 118 9.110 9.110 9.426 -0.316 25195 10580 1 16 . 1 1 119 119 THR N N 119 118.500 118.500 118.958 -0.458 25195 10581 1 16 . 1 1 119 119 THR HA H 119 5.490 5.490 5.094 0.396 25195 10582 1 16 . 1 1 119 119 THR CA C 119 58.800 58.800 58.443 0.357 25195 10583 1 16 . 1 1 119 119 THR CB C 119 69.800 69.800 71.021 -1.221 25195 10584 1 16 . 1 1 119 119 THR H H 119 9.370 9.370 8.854 0.516 25195 10585 1 16 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.482 -0.002 25195 10586 1 16 . 1 1 120 120 PRO C C 120 177.800 177.800 176.897 0.903 25195 10587 1 16 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.317 0.783 25195 10588 1 16 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.659 0.641 25195 10589 1 16 . 1 1 121 121 LYS N N 121 113.600 113.600 117.810 -4.210 25195 10590 1 16 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.569 -0.309 25195 10591 1 16 . 1 1 121 121 LYS C C 121 176.400 176.400 176.163 0.237 25195 10592 1 16 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.692 1.508 25195 10593 1 16 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.627 0.173 25195 10594 1 16 . 1 1 121 121 LYS H H 121 8.360 8.360 7.906 0.454 25195 10595 1 16 . 1 1 122 122 GLY N N 122 108.400 108.400 106.790 1.610 25195 10596 1 16 . 1 1 122 122 GLY C C 122 169.500 169.500 171.103 -1.603 25195 10597 1 16 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.886 0.214 25195 10598 1 16 . 1 1 122 122 GLY H H 122 7.900 7.900 7.553 0.347 25195 10599 1 16 . 1 1 123 123 VAL N N 123 117.100 117.100 120.157 -3.057 25195 10600 1 16 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.283 0.177 25195 10601 1 16 . 1 1 123 123 VAL C C 123 176.100 176.100 174.261 1.839 25195 10602 1 16 . 1 1 123 123 VAL CA C 123 60.000 60.000 59.905 0.095 25195 10603 1 16 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.243 -0.443 25195 10604 1 16 . 1 1 123 123 VAL H H 123 8.080 8.080 8.321 -0.241 25195 10605 1 16 . 1 1 124 124 ARG N N 124 122.300 122.300 126.958 -4.658 25195 10606 1 16 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.598 0.062 25195 10607 1 16 . 1 1 124 124 ARG C C 124 174.800 174.800 174.306 0.494 25195 10608 1 16 . 1 1 124 124 ARG CA C 124 54.400 54.400 53.995 0.405 25195 10609 1 16 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.343 1.557 25195 10610 1 16 . 1 1 124 124 ARG H H 124 8.510 8.510 8.883 -0.373 25195 10611 1 16 . 1 1 125 125 LEU N N 125 125.500 125.500 121.835 3.665 25195 10612 1 16 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.177 0.423 25195 10613 1 16 . 1 1 125 125 LEU C C 125 176.500 176.500 177.317 -0.817 25195 10614 1 16 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.750 -2.050 25195 10615 1 16 . 1 1 125 125 LEU CB C 125 40.900 40.900 41.863 -0.963 25195 10616 1 16 . 1 1 125 125 LEU H H 125 8.860 8.860 8.751 0.109 25195 10617 1 16 . 1 1 126 126 CYS N N 126 129.700 129.700 122.522 7.178 25195 10618 1 16 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.173 0.317 25195 10619 1 16 . 1 1 126 126 CYS C C 126 172.000 172.000 174.592 -2.592 25195 10620 1 16 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.664 0.236 25195 10621 1 16 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.791 -0.491 25195 10622 1 16 . 1 1 126 126 CYS H H 126 8.540 8.540 8.554 -0.014 25195 10623 1 16 . 1 1 127 127 ARG N N 127 117.500 117.500 119.055 -1.555 25195 10624 1 16 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.730 -0.540 25195 10625 1 16 . 1 1 127 127 ARG CA C 127 53.200 53.200 52.628 0.572 25195 10626 1 16 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.521 1.879 25195 10627 1 16 . 1 1 127 127 ARG H H 127 6.930 6.930 7.203 -0.273 25195 10628 1 16 . 1 1 128 128 PRO C C 128 177.100 177.100 177.184 -0.084 25195 10629 1 16 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.445 0.755 25195 10630 1 16 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.543 2.757 25195 10631 1 16 . 1 1 129 129 ALA N N 129 124.000 124.000 120.460 3.540 25195 10632 1 16 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.062 -0.212 25195 10633 1 16 . 1 1 129 129 ALA C C 129 177.700 177.700 179.969 -2.269 25195 10634 1 16 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.926 0.274 25195 10635 1 16 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.425 1.475 25195 10636 1 16 . 1 1 129 129 ALA H H 129 9.320 9.320 8.568 0.752 25195 10637 1 16 . 1 1 130 130 GLU N N 130 111.600 111.600 117.343 -5.743 25195 10638 1 16 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.093 -0.253 25195 10639 1 16 . 1 1 130 130 GLU C C 130 178.200 178.200 178.672 -0.472 25195 10640 1 16 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.293 1.207 25195 10641 1 16 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.095 -0.994 25195 10642 1 16 . 1 1 130 130 GLU H H 130 9.490 9.490 8.714 0.776 25195 10643 1 16 . 1 1 131 131 THR N N 131 116.100 116.100 113.514 2.586 25195 10644 1 16 . 1 1 131 131 THR HA H 131 4.040 4.040 4.116 -0.076 25195 10645 1 16 . 1 1 131 131 THR C C 131 175.800 175.800 176.680 -0.880 25195 10646 1 16 . 1 1 131 131 THR CA C 131 65.600 65.600 65.814 -0.214 25195 10647 1 16 . 1 1 131 131 THR CB C 131 69.800 69.800 68.937 0.863 25195 10648 1 16 . 1 1 131 131 THR H H 131 7.940 7.940 7.731 0.209 25195 10649 1 16 . 1 1 132 132 VAL N N 132 119.200 119.200 122.721 -3.521 25195 10650 1 16 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.748 0.132 25195 10651 1 16 . 1 1 132 132 VAL C C 132 176.500 176.500 177.394 -0.894 25195 10652 1 16 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.647 -1.547 25195 10653 1 16 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.330 1.070 25195 10654 1 16 . 1 1 132 132 VAL H H 132 8.130 8.130 7.713 0.417 25195 10655 1 16 . 1 1 133 133 GLN N N 133 118.500 118.500 118.439 0.061 25195 10656 1 16 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.103 -0.253 25195 10657 1 16 . 1 1 133 133 GLN C C 133 178.500 178.500 177.588 0.912 25195 10658 1 16 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.438 0.362 25195 10659 1 16 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.269 -0.269 25195 10660 1 16 . 1 1 133 133 GLN H H 133 7.690 7.690 8.099 -0.409 25195 10661 1 16 . 1 1 134 134 GLU N N 134 115.200 115.200 119.491 -4.291 25195 10662 1 16 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.187 -0.047 25195 10663 1 16 . 1 1 134 134 GLU C C 134 177.000 177.000 178.110 -1.110 25195 10664 1 16 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.709 0.091 25195 10665 1 16 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.001 -0.101 25195 10666 1 16 . 1 1 134 134 GLU H H 134 7.620 7.620 7.782 -0.162 25195 10667 1 16 . 1 1 135 135 LEU N N 135 115.600 115.600 119.731 -4.131 25195 10668 1 16 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.237 -0.017 25195 10669 1 16 . 1 1 135 135 LEU C C 135 176.100 176.100 176.629 -0.529 25195 10670 1 16 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.645 -2.845 25195 10671 1 16 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.736 0.564 25195 10672 1 16 . 1 1 135 135 LEU H H 135 7.740 7.740 7.858 -0.118 25195 10673 1 17 . 1 1 9 9 MET C C 9 176.700 176.700 174.723 1.977 25195 10674 1 17 . 1 1 9 9 MET CA C 9 55.600 55.600 54.575 1.025 25195 10675 1 17 . 1 1 9 9 MET CB C 9 32.700 32.700 36.051 -3.351 25195 10676 1 17 . 1 1 10 10 GLY N N 10 109.800 109.800 108.209 1.591 25195 10677 1 17 . 1 1 10 10 GLY C C 10 174.400 174.400 172.510 1.890 25195 10678 1 17 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.845 0.455 25195 10679 1 17 . 1 1 10 10 GLY H H 10 8.480 8.480 9.251 -0.771 25195 10680 1 17 . 1 1 11 11 THR N N 11 113.500 113.500 113.617 -0.117 25195 10681 1 17 . 1 1 11 11 THR HA H 11 4.330 4.330 4.893 -0.563 25195 10682 1 17 . 1 1 11 11 THR CA C 11 62.100 62.100 61.525 0.575 25195 10683 1 17 . 1 1 11 11 THR CB C 11 69.900 69.900 70.014 -0.114 25195 10684 1 17 . 1 1 11 11 THR H H 11 8.080 8.080 8.519 -0.439 25195 10685 1 17 . 1 1 12 12 LEU N N 12 123.900 123.900 122.091 1.809 25195 10686 1 17 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.930 -0.620 25195 10687 1 17 . 1 1 12 12 LEU C C 12 177.700 177.700 175.391 2.309 25195 10688 1 17 . 1 1 12 12 LEU CA C 12 55.800 55.800 53.973 1.827 25195 10689 1 17 . 1 1 12 12 LEU CB C 12 42.200 42.200 44.819 -2.619 25195 10690 1 17 . 1 1 12 12 LEU H H 12 8.390 8.390 8.618 -0.228 25195 10691 1 17 . 1 1 13 13 GLU N N 13 121.300 121.300 119.859 1.441 25195 10692 1 17 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.683 -0.483 25195 10693 1 17 . 1 1 13 13 GLU C C 13 176.500 176.500 175.192 1.308 25195 10694 1 17 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.646 1.454 25195 10695 1 17 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.619 -1.720 25195 10696 1 17 . 1 1 13 13 GLU H H 13 8.430 8.430 8.512 -0.082 25195 10697 1 17 . 1 1 14 14 ALA N N 14 124.100 124.100 122.612 1.488 25195 10698 1 17 . 1 1 14 14 ALA HA H 14 4.270 4.270 5.006 -0.736 25195 10699 1 17 . 1 1 14 14 ALA C C 14 177.900 177.900 175.874 2.026 25195 10700 1 17 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.735 1.065 25195 10701 1 17 . 1 1 14 14 ALA CB C 14 19.200 19.200 21.454 -2.254 25195 10702 1 17 . 1 1 14 14 ALA H H 14 8.270 8.270 8.386 -0.116 25195 10703 1 17 . 1 1 15 15 GLN N N 15 118.900 118.900 118.670 0.230 25195 10704 1 17 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.977 -0.737 25195 10705 1 17 . 1 1 15 15 GLN C C 15 176.500 176.500 174.314 2.186 25195 10706 1 17 . 1 1 15 15 GLN CA C 15 55.800 55.800 54.995 0.805 25195 10707 1 17 . 1 1 15 15 GLN CB C 15 29.400 29.400 31.895 -2.495 25195 10708 1 17 . 1 1 15 15 GLN H H 15 8.360 8.360 9.071 -0.711 25195 10709 1 17 . 1 1 16 16 THR N N 16 114.900 114.900 115.003 -0.103 25195 10710 1 17 . 1 1 16 16 THR HA H 16 4.360 4.360 4.543 -0.183 25195 10711 1 17 . 1 1 16 16 THR C C 16 174.600 174.600 172.818 1.782 25195 10712 1 17 . 1 1 16 16 THR CA C 16 61.900 61.900 61.612 0.288 25195 10713 1 17 . 1 1 16 16 THR CB C 16 69.800 69.800 71.088 -1.288 25195 10714 1 17 . 1 1 16 16 THR H H 16 8.190 8.190 8.325 -0.135 25195 10715 1 17 . 1 1 17 17 GLN N N 17 122.100 122.100 120.654 1.446 25195 10716 1 17 . 1 1 17 17 GLN C C 17 176.100 176.100 173.713 2.387 25195 10717 1 17 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.289 0.411 25195 10718 1 17 . 1 1 17 17 GLN CB C 17 29.700 29.700 31.919 -2.219 25195 10719 1 17 . 1 1 17 17 GLN H H 17 8.440 8.440 9.041 -0.601 25195 10720 1 17 . 1 1 18 18 GLY N N 18 110.100 110.100 110.766 -0.666 25195 10721 1 17 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.365 0.335 25195 10722 1 17 . 1 1 18 18 GLY H H 18 8.370 8.370 8.378 -0.008 25195 10723 1 17 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.513 -0.073 25195 10724 1 17 . 1 1 19 19 PRO C C 19 177.700 177.700 176.463 1.237 25195 10725 1 17 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.841 0.859 25195 10726 1 17 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.482 -0.082 25195 10727 1 17 . 1 1 20 20 GLY N N 20 109.200 109.200 107.778 1.422 25195 10728 1 17 . 1 1 20 20 GLY C C 20 174.400 174.400 173.888 0.512 25195 10729 1 17 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.326 0.074 25195 10730 1 17 . 1 1 20 20 GLY H H 20 8.620 8.620 8.085 0.535 25195 10731 1 17 . 1 1 21 21 SER N N 21 115.000 115.000 114.803 0.197 25195 10732 1 17 . 1 1 21 21 SER HA H 21 4.420 4.420 4.499 -0.079 25195 10733 1 17 . 1 1 21 21 SER C C 21 174.600 174.600 174.710 -0.110 25195 10734 1 17 . 1 1 21 21 SER CA C 21 58.600 58.600 58.465 0.135 25195 10735 1 17 . 1 1 21 21 SER CB C 21 64.100 64.100 63.257 0.843 25195 10736 1 17 . 1 1 21 21 SER H H 21 8.180 8.180 8.388 -0.208 25195 10737 1 17 . 1 1 22 22 MET N N 22 121.500 121.500 120.722 0.778 25195 10738 1 17 . 1 1 22 22 MET HA H 22 4.440 4.440 4.364 0.076 25195 10739 1 17 . 1 1 22 22 MET C C 22 175.100 175.100 175.381 -0.281 25195 10740 1 17 . 1 1 22 22 MET CA C 22 55.600 55.600 55.929 -0.329 25195 10741 1 17 . 1 1 22 22 MET CB C 22 33.600 33.600 33.066 0.534 25195 10742 1 17 . 1 1 22 22 MET H H 22 8.340 8.340 7.705 0.635 25195 10743 1 17 . 1 1 23 23 ASP N N 23 123.000 123.000 122.253 0.747 25195 10744 1 17 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.812 -0.203 25195 10745 1 17 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.876 0.924 25195 10746 1 17 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.062 0.638 25195 10747 1 17 . 1 1 23 23 ASP H H 23 8.170 8.170 8.692 -0.522 25195 10748 1 17 . 1 1 24 24 VAL N N 24 123.200 123.200 120.196 3.004 25195 10749 1 17 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.643 0.397 25195 10750 1 17 . 1 1 24 24 VAL C C 24 174.900 174.900 174.842 0.058 25195 10751 1 17 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.578 0.322 25195 10752 1 17 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.741 0.359 25195 10753 1 17 . 1 1 24 24 VAL H H 24 8.210 8.210 7.824 0.386 25195 10754 1 17 . 1 1 25 25 THR N N 25 124.200 124.200 122.966 1.234 25195 10755 1 17 . 1 1 25 25 THR HA H 25 5.310 5.310 4.870 0.440 25195 10756 1 17 . 1 1 25 25 THR C C 25 172.300 172.300 173.221 -0.921 25195 10757 1 17 . 1 1 25 25 THR CA C 25 61.800 61.800 61.018 0.782 25195 10758 1 17 . 1 1 25 25 THR CB C 25 71.600 71.600 70.505 1.095 25195 10759 1 17 . 1 1 25 25 THR H H 25 9.170 9.170 8.834 0.336 25195 10760 1 17 . 1 1 26 26 ILE N N 26 122.500 122.500 123.780 -1.280 25195 10761 1 17 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.529 0.741 25195 10762 1 17 . 1 1 26 26 ILE C C 26 172.200 172.200 174.309 -2.109 25195 10763 1 17 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.585 -0.885 25195 10764 1 17 . 1 1 26 26 ILE CB C 26 42.300 42.300 39.150 3.151 25195 10765 1 17 . 1 1 26 26 ILE H H 26 8.910 8.910 8.835 0.075 25195 10766 1 17 . 1 1 27 27 TYR N N 27 129.400 129.400 127.088 2.312 25195 10767 1 17 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.547 -0.367 25195 10768 1 17 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.526 1.974 25195 10769 1 17 . 1 1 27 27 TYR CB C 27 37.100 37.100 38.096 -0.997 25195 10770 1 17 . 1 1 27 27 TYR H H 27 9.090 9.090 8.815 0.275 25195 10771 1 17 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.094 3.606 25195 10772 1 17 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.301 0.549 25195 10773 1 17 . 1 1 30 30 PRO C C 30 177.000 177.000 175.513 1.487 25195 10774 1 17 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.051 1.149 25195 10775 1 17 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.137 2.563 25195 10776 1 17 . 1 1 31 31 VAL N N 31 112.100 112.100 121.193 -9.093 25195 10777 1 17 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.404 -0.244 25195 10778 1 17 . 1 1 31 31 VAL C C 31 175.000 175.000 174.918 0.082 25195 10779 1 17 . 1 1 31 31 VAL CA C 31 62.000 62.000 59.935 2.065 25195 10780 1 17 . 1 1 31 31 VAL CB C 31 31.500 31.500 35.362 -3.862 25195 10781 1 17 . 1 1 31 31 VAL H H 31 7.290 7.290 8.193 -0.903 25195 10782 1 17 . 1 1 32 32 CYS N N 32 126.100 126.100 126.321 -0.221 25195 10783 1 17 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.257 0.103 25195 10784 1 17 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.585 -2.285 25195 10785 1 17 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.855 3.345 25195 10786 1 17 . 1 1 32 32 CYS H H 32 7.780 7.780 8.852 -1.072 25195 10787 1 17 . 1 1 33 33 GLY C C 33 177.400 177.400 175.855 1.545 25195 10788 1 17 . 1 1 33 33 GLY CA C 33 47.700 47.700 47.022 0.678 25195 10789 1 17 . 1 1 34 34 THR N N 34 123.700 123.700 117.084 6.616 25195 10790 1 17 . 1 1 34 34 THR HA H 34 4.250 4.250 4.074 0.176 25195 10791 1 17 . 1 1 34 34 THR C C 34 175.600 175.600 176.429 -0.829 25195 10792 1 17 . 1 1 34 34 THR CA C 34 67.600 67.600 66.534 1.066 25195 10793 1 17 . 1 1 34 34 THR CB C 34 68.700 68.700 69.091 -0.391 25195 10794 1 17 . 1 1 34 34 THR H H 34 9.110 9.110 8.155 0.955 25195 10795 1 17 . 1 1 35 35 SER N N 35 123.600 123.600 117.261 6.339 25195 10796 1 17 . 1 1 35 35 SER C C 35 177.900 177.900 176.538 1.362 25195 10797 1 17 . 1 1 35 35 SER CA C 35 63.800 63.800 62.045 1.755 25195 10798 1 17 . 1 1 35 35 SER CB C 35 63.800 63.800 63.113 0.687 25195 10799 1 17 . 1 1 35 35 SER H H 35 9.530 9.530 8.126 1.404 25195 10800 1 17 . 1 1 36 36 ARG N N 36 113.400 113.400 120.711 -7.311 25195 10801 1 17 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.077 -0.077 25195 10802 1 17 . 1 1 36 36 ARG C C 36 179.200 179.200 178.214 0.986 25195 10803 1 17 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.505 1.795 25195 10804 1 17 . 1 1 36 36 ARG CB C 36 31.300 31.300 30.272 1.028 25195 10805 1 17 . 1 1 36 36 ARG H H 36 8.740 8.740 8.132 0.608 25195 10806 1 17 . 1 1 37 37 LYS N N 37 121.900 121.900 120.583 1.317 25195 10807 1 17 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.048 0.092 25195 10808 1 17 . 1 1 37 37 LYS C C 37 179.400 179.400 178.800 0.600 25195 10809 1 17 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.797 -0.097 25195 10810 1 17 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.403 0.197 25195 10811 1 17 . 1 1 37 37 LYS H H 37 7.980 7.980 7.824 0.156 25195 10812 1 17 . 1 1 38 38 VAL N N 38 120.900 120.900 117.717 3.183 25195 10813 1 17 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.596 0.024 25195 10814 1 17 . 1 1 38 38 VAL C C 38 177.300 177.300 177.786 -0.486 25195 10815 1 17 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.443 0.857 25195 10816 1 17 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.596 0.304 25195 10817 1 17 . 1 1 38 38 VAL H H 38 8.670 8.670 7.895 0.775 25195 10818 1 17 . 1 1 39 39 LEU N N 39 120.200 120.200 120.412 -0.212 25195 10819 1 17 . 1 1 39 39 LEU C C 39 178.300 178.300 179.392 -1.092 25195 10820 1 17 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.553 1.047 25195 10821 1 17 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.164 0.435 25195 10822 1 17 . 1 1 39 39 LEU H H 39 8.300 8.300 8.240 0.060 25195 10823 1 17 . 1 1 40 40 GLY N N 40 103.600 103.600 108.003 -4.403 25195 10824 1 17 . 1 1 40 40 GLY C C 40 176.600 176.600 176.386 0.214 25195 10825 1 17 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.169 0.231 25195 10826 1 17 . 1 1 40 40 GLY H H 40 8.050 8.050 8.283 -0.233 25195 10827 1 17 . 1 1 41 41 MET N N 41 122.300 122.300 121.326 0.974 25195 10828 1 17 . 1 1 41 41 MET HA H 41 4.030 4.030 4.157 -0.127 25195 10829 1 17 . 1 1 41 41 MET C C 41 179.200 179.200 178.808 0.392 25195 10830 1 17 . 1 1 41 41 MET CA C 41 59.900 59.900 57.717 2.183 25195 10831 1 17 . 1 1 41 41 MET CB C 41 33.600 33.600 31.686 1.914 25195 10832 1 17 . 1 1 41 41 MET H H 41 8.310 8.310 7.945 0.365 25195 10833 1 17 . 1 1 42 42 ILE N N 42 120.600 120.600 119.467 1.133 25195 10834 1 17 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.565 -0.025 25195 10835 1 17 . 1 1 42 42 ILE C C 42 177.600 177.600 178.155 -0.555 25195 10836 1 17 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.409 0.791 25195 10837 1 17 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.326 1.774 25195 10838 1 17 . 1 1 42 42 ILE H H 42 8.260 8.260 8.245 0.015 25195 10839 1 17 . 1 1 43 43 ARG N N 43 117.200 117.200 119.388 -2.188 25195 10840 1 17 . 1 1 43 43 ARG C C 43 182.100 182.100 178.959 3.141 25195 10841 1 17 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.136 -0.036 25195 10842 1 17 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.162 -0.762 25195 10843 1 17 . 1 1 43 43 ARG H H 43 7.810 7.810 8.194 -0.384 25195 10844 1 17 . 1 1 44 44 GLU N N 44 122.200 122.200 117.628 4.572 25195 10845 1 17 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.151 -0.101 25195 10846 1 17 . 1 1 44 44 GLU C C 44 177.600 177.600 177.630 -0.030 25195 10847 1 17 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.087 1.013 25195 10848 1 17 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.543 -0.043 25195 10849 1 17 . 1 1 44 44 GLU H H 44 8.670 8.670 7.968 0.702 25195 10850 1 17 . 1 1 45 45 ALA N N 45 120.400 120.400 120.260 0.140 25195 10851 1 17 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.165 0.255 25195 10852 1 17 . 1 1 45 45 ALA C C 45 177.300 177.300 177.974 -0.674 25195 10853 1 17 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.249 -0.749 25195 10854 1 17 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.522 -1.122 25195 10855 1 17 . 1 1 45 45 ALA H H 45 7.430 7.430 7.826 -0.396 25195 10856 1 17 . 1 1 46 46 GLY N N 46 106.000 106.000 104.714 1.286 25195 10857 1 17 . 1 1 46 46 GLY C C 46 173.800 173.800 173.830 -0.030 25195 10858 1 17 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.650 0.650 25195 10859 1 17 . 1 1 46 46 GLY H H 46 8.080 8.080 7.775 0.305 25195 10860 1 17 . 1 1 47 47 ILE N N 47 121.500 121.500 120.114 1.386 25195 10861 1 17 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.399 -0.299 25195 10862 1 17 . 1 1 47 47 ILE C C 47 174.100 174.100 174.196 -0.096 25195 10863 1 17 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.968 0.732 25195 10864 1 17 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.941 0.159 25195 10865 1 17 . 1 1 47 47 ILE H H 47 7.180 7.180 7.714 -0.534 25195 10866 1 17 . 1 1 48 48 GLU N N 48 127.000 127.000 123.310 3.690 25195 10867 1 17 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.644 0.556 25195 10868 1 17 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.202 -0.902 25195 10869 1 17 . 1 1 48 48 GLU CB C 48 29.400 29.400 31.762 -2.361 25195 10870 1 17 . 1 1 48 48 GLU H H 48 8.440 8.440 8.706 -0.266 25195 10871 1 17 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.664 -0.024 25195 10872 1 17 . 1 1 49 49 PRO C C 49 175.200 175.200 175.907 -0.707 25195 10873 1 17 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.470 -0.570 25195 10874 1 17 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.594 0.105 25195 10875 1 17 . 1 1 50 50 HIS N N 50 119.000 119.000 118.323 0.677 25195 10876 1 17 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.886 -0.186 25195 10877 1 17 . 1 1 50 50 HIS C C 50 174.200 174.200 174.861 -0.661 25195 10878 1 17 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.637 0.763 25195 10879 1 17 . 1 1 50 50 HIS CB C 50 29.100 29.100 32.309 -3.209 25195 10880 1 17 . 1 1 50 50 HIS H H 50 9.160 9.160 8.465 0.695 25195 10881 1 17 . 1 1 51 51 VAL N N 51 128.400 128.400 122.136 6.264 25195 10882 1 17 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.491 -0.251 25195 10883 1 17 . 1 1 51 51 VAL C C 51 175.600 175.600 175.058 0.542 25195 10884 1 17 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.340 -0.140 25195 10885 1 17 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.109 0.091 25195 10886 1 17 . 1 1 51 51 VAL H H 51 8.760 8.760 8.699 0.061 25195 10887 1 17 . 1 1 52 52 ILE N N 52 129.400 129.400 127.966 1.434 25195 10888 1 17 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.489 -0.269 25195 10889 1 17 . 1 1 52 52 ILE C C 52 176.500 176.500 175.141 1.359 25195 10890 1 17 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.569 -0.269 25195 10891 1 17 . 1 1 52 52 ILE CB C 52 38.200 38.200 41.015 -2.815 25195 10892 1 17 . 1 1 52 52 ILE H H 52 9.000 9.000 8.940 0.060 25195 10893 1 17 . 1 1 53 53 GLU N N 53 129.900 129.900 128.701 1.199 25195 10894 1 17 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.358 0.772 25195 10895 1 17 . 1 1 53 53 GLU C C 53 174.200 174.200 175.182 -0.982 25195 10896 1 17 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.718 -0.818 25195 10897 1 17 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.730 -1.430 25195 10898 1 17 . 1 1 53 53 GLU H H 53 9.180 9.180 8.831 0.349 25195 10899 1 17 . 1 1 54 54 TYR N N 54 124.200 124.200 127.666 -3.466 25195 10900 1 17 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.616 0.584 25195 10901 1 17 . 1 1 54 54 TYR C C 54 174.200 174.200 173.981 0.219 25195 10902 1 17 . 1 1 54 54 TYR CA C 54 54.100 54.100 58.545 -4.445 25195 10903 1 17 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.998 -2.998 25195 10904 1 17 . 1 1 54 54 TYR H H 54 8.460 8.460 8.239 0.221 25195 10905 1 17 . 1 1 55 55 MET N N 55 121.900 121.900 121.101 0.799 25195 10906 1 17 . 1 1 55 55 MET H H 55 7.660 7.660 7.749 -0.089 25195 10907 1 17 . 1 1 56 56 LYS C C 56 176.700 176.700 175.096 1.604 25195 10908 1 17 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.107 0.793 25195 10909 1 17 . 1 1 56 56 LYS CB C 56 29.200 29.200 33.012 -3.812 25195 10910 1 17 . 1 1 57 57 THR N N 57 114.700 114.700 115.575 -0.875 25195 10911 1 17 . 1 1 57 57 THR HA H 57 4.720 4.720 4.397 0.323 25195 10912 1 17 . 1 1 57 57 THR CB C 57 70.500 70.500 69.362 1.138 25195 10913 1 17 . 1 1 57 57 THR H H 57 7.940 7.940 7.935 0.005 25195 10914 1 17 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.519 0.181 25195 10915 1 17 . 1 1 58 58 PRO C C 58 177.400 177.400 175.521 1.879 25195 10916 1 17 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.145 -0.345 25195 10917 1 17 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.532 0.068 25195 10918 1 17 . 1 1 59 59 LEU N N 59 125.300 125.300 122.445 2.855 25195 10919 1 17 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.812 -0.232 25195 10920 1 17 . 1 1 59 59 LEU CB C 59 42.300 42.300 43.568 -1.268 25195 10921 1 17 . 1 1 59 59 LEU H H 59 8.760 8.760 8.093 0.667 25195 10922 1 17 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.619 -0.109 25195 10923 1 17 . 1 1 60 60 PRO C C 60 178.400 178.400 177.622 0.778 25195 10924 1 17 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.148 -0.048 25195 10925 1 17 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.621 -0.321 25195 10926 1 17 . 1 1 61 61 ARG N N 61 125.800 125.800 120.834 4.966 25195 10927 1 17 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.847 -0.147 25195 10928 1 17 . 1 1 61 61 ARG C C 61 177.800 177.800 177.810 -0.010 25195 10929 1 17 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.829 0.971 25195 10930 1 17 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.416 0.984 25195 10931 1 17 . 1 1 61 61 ARG H H 61 8.980 8.980 8.773 0.207 25195 10932 1 17 . 1 1 62 62 ASP N N 62 113.300 113.300 119.383 -6.083 25195 10933 1 17 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.293 -0.053 25195 10934 1 17 . 1 1 62 62 ASP C C 62 179.100 179.100 178.329 0.771 25195 10935 1 17 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.753 -0.753 25195 10936 1 17 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.467 -0.767 25195 10937 1 17 . 1 1 62 62 ASP H H 62 8.820 8.820 8.554 0.266 25195 10938 1 17 . 1 1 63 63 MET N N 63 118.800 118.800 117.640 1.160 25195 10939 1 17 . 1 1 63 63 MET HA H 63 4.460 4.460 4.143 0.317 25195 10940 1 17 . 1 1 63 63 MET C C 63 177.700 177.700 178.691 -0.991 25195 10941 1 17 . 1 1 63 63 MET CA C 63 57.200 57.200 58.181 -0.980 25195 10942 1 17 . 1 1 63 63 MET CB C 63 32.500 32.500 31.745 0.755 25195 10943 1 17 . 1 1 63 63 MET H H 63 7.340 7.340 8.114 -0.774 25195 10944 1 17 . 1 1 64 64 LEU N N 64 121.000 121.000 120.538 0.462 25195 10945 1 17 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.018 -0.058 25195 10946 1 17 . 1 1 64 64 LEU C C 64 178.000 178.000 178.587 -0.587 25195 10947 1 17 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.297 0.003 25195 10948 1 17 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.872 -0.472 25195 10949 1 17 . 1 1 64 64 LEU H H 64 7.570 7.570 8.088 -0.518 25195 10950 1 17 . 1 1 65 65 VAL N N 65 117.200 117.200 119.963 -2.763 25195 10951 1 17 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.536 -0.106 25195 10952 1 17 . 1 1 65 65 VAL C C 65 178.500 178.500 178.194 0.306 25195 10953 1 17 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.495 0.105 25195 10954 1 17 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.475 0.525 25195 10955 1 17 . 1 1 65 65 VAL H H 65 8.250 8.250 8.112 0.138 25195 10956 1 17 . 1 1 66 66 GLU N N 66 120.200 120.200 119.666 0.534 25195 10957 1 17 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.068 0.272 25195 10958 1 17 . 1 1 66 66 GLU C C 66 178.500 178.500 179.647 -1.147 25195 10959 1 17 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.367 -0.667 25195 10960 1 17 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.416 -0.216 25195 10961 1 17 . 1 1 66 66 GLU H H 66 7.510 7.510 8.025 -0.515 25195 10962 1 17 . 1 1 67 67 LEU N N 67 121.100 121.100 119.523 1.577 25195 10963 1 17 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.103 -0.113 25195 10964 1 17 . 1 1 67 67 LEU C C 67 179.400 179.400 179.046 0.354 25195 10965 1 17 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.737 0.663 25195 10966 1 17 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.121 -0.321 25195 10967 1 17 . 1 1 67 67 LEU H H 67 8.480 8.480 8.077 0.403 25195 10968 1 17 . 1 1 68 68 LEU N N 68 118.500 118.500 117.360 1.140 25195 10969 1 17 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.290 -0.510 25195 10970 1 17 . 1 1 68 68 LEU C C 68 179.100 179.100 178.367 0.733 25195 10971 1 17 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.591 1.109 25195 10972 1 17 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.496 -0.096 25195 10973 1 17 . 1 1 68 68 LEU H H 68 8.250 8.250 8.391 -0.141 25195 10974 1 17 . 1 1 69 69 ARG N N 69 119.200 119.200 118.402 0.798 25195 10975 1 17 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.323 -0.273 25195 10976 1 17 . 1 1 69 69 ARG C C 69 180.400 180.400 178.275 2.125 25195 10977 1 17 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.381 1.119 25195 10978 1 17 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.901 0.199 25195 10979 1 17 . 1 1 69 69 ARG H H 69 7.950 7.950 8.166 -0.216 25195 10980 1 17 . 1 1 70 70 GLN N N 70 118.500 118.500 117.462 1.038 25195 10981 1 17 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.137 -0.107 25195 10982 1 17 . 1 1 70 70 GLN C C 70 179.900 179.900 178.087 1.813 25195 10983 1 17 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.648 1.252 25195 10984 1 17 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.705 0.695 25195 10985 1 17 . 1 1 70 70 GLN H H 70 8.450 8.450 7.804 0.646 25195 10986 1 17 . 1 1 71 71 MET N N 71 117.500 117.500 117.939 -0.439 25195 10987 1 17 . 1 1 71 71 MET HA H 71 4.140 4.140 4.059 0.081 25195 10988 1 17 . 1 1 71 71 MET C C 71 175.200 175.200 177.398 -2.198 25195 10989 1 17 . 1 1 71 71 MET CA C 71 58.200 58.200 58.586 -0.386 25195 10990 1 17 . 1 1 71 71 MET CB C 71 36.200 36.200 33.041 3.159 25195 10991 1 17 . 1 1 71 71 MET H H 71 8.380 8.380 7.823 0.557 25195 10992 1 17 . 1 1 72 72 ALA N N 72 120.400 120.400 117.440 2.960 25195 10993 1 17 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.463 -0.433 25195 10994 1 17 . 1 1 72 72 ALA C C 72 176.600 176.600 176.830 -0.230 25195 10995 1 17 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.249 0.551 25195 10996 1 17 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.317 -4.817 25195 10997 1 17 . 1 1 72 72 ALA H H 72 8.100 8.100 7.618 0.482 25195 10998 1 17 . 1 1 73 73 ILE N N 73 108.600 108.600 115.250 -6.650 25195 10999 1 17 . 1 1 73 73 ILE C C 73 174.700 174.700 174.528 0.172 25195 11000 1 17 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.720 0.180 25195 11001 1 17 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.277 2.323 25195 11002 1 17 . 1 1 73 73 ILE H H 73 7.240 7.240 7.907 -0.667 25195 11003 1 17 . 1 1 74 74 SER N N 74 116.500 116.500 117.822 -1.322 25195 11004 1 17 . 1 1 74 74 SER HA H 74 4.780 4.780 4.521 0.259 25195 11005 1 17 . 1 1 74 74 SER CA C 74 55.900 55.900 59.215 -3.315 25195 11006 1 17 . 1 1 74 74 SER CB C 74 63.500 63.500 63.228 0.272 25195 11007 1 17 . 1 1 74 74 SER H H 74 8.290 8.290 8.600 -0.310 25195 11008 1 17 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.403 0.357 25195 11009 1 17 . 1 1 75 75 PRO C C 75 178.200 178.200 177.367 0.833 25195 11010 1 17 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.620 0.980 25195 11011 1 17 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.995 0.105 25195 11012 1 17 . 1 1 76 76 ARG N N 76 114.400 114.400 117.009 -2.609 25195 11013 1 17 . 1 1 76 76 ARG C C 76 178.100 178.100 176.763 1.337 25195 11014 1 17 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.803 1.197 25195 11015 1 17 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.699 -0.299 25195 11016 1 17 . 1 1 76 76 ARG H H 76 8.340 8.340 8.104 0.236 25195 11017 1 17 . 1 1 77 77 ALA N N 77 119.400 119.400 119.840 -0.440 25195 11018 1 17 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.610 -0.380 25195 11019 1 17 . 1 1 77 77 ALA C C 77 178.100 178.100 176.328 1.772 25195 11020 1 17 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.026 2.775 25195 11021 1 17 . 1 1 77 77 ALA CB C 77 18.600 18.600 19.421 -0.821 25195 11022 1 17 . 1 1 77 77 ALA H H 77 7.720 7.720 7.530 0.190 25195 11023 1 17 . 1 1 78 78 LEU N N 78 119.400 119.400 120.014 -0.614 25195 11024 1 17 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.373 0.007 25195 11025 1 17 . 1 1 78 78 LEU C C 78 174.800 174.800 176.538 -1.738 25195 11026 1 17 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.184 -2.284 25195 11027 1 17 . 1 1 78 78 LEU CB C 78 44.100 44.100 42.831 1.269 25195 11028 1 17 . 1 1 78 78 LEU H H 78 7.610 7.610 7.183 0.427 25195 11029 1 17 . 1 1 79 79 LEU N N 79 118.700 118.700 120.149 -1.449 25195 11030 1 17 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.924 0.726 25195 11031 1 17 . 1 1 79 79 LEU C C 79 178.900 178.900 176.670 2.230 25195 11032 1 17 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.890 0.210 25195 11033 1 17 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.224 5.376 25195 11034 1 17 . 1 1 79 79 LEU H H 79 7.220 7.220 7.803 -0.583 25195 11035 1 17 . 1 1 80 80 ARG N N 80 124.000 124.000 125.151 -1.151 25195 11036 1 17 . 1 1 80 80 ARG HA H 80 4.220 4.220 3.994 0.226 25195 11037 1 17 . 1 1 80 80 ARG C C 80 174.800 174.800 177.289 -2.489 25195 11038 1 17 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.510 -0.310 25195 11039 1 17 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.851 -0.151 25195 11040 1 17 . 1 1 80 80 ARG H H 80 8.780 8.780 8.212 0.568 25195 11041 1 17 . 1 1 81 81 ALA N N 81 124.400 124.400 122.697 1.703 25195 11042 1 17 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.223 -1.733 25195 11043 1 17 . 1 1 81 81 ALA C C 81 177.600 177.600 178.437 -0.837 25195 11044 1 17 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.976 -2.276 25195 11045 1 17 . 1 1 81 81 ALA CB C 81 18.600 18.600 19.027 -0.427 25195 11046 1 17 . 1 1 81 81 ALA H H 81 7.420 7.420 8.427 -1.007 25195 11047 1 17 . 1 1 82 82 LYS N N 82 114.500 114.500 117.769 -3.269 25195 11048 1 17 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.026 0.224 25195 11049 1 17 . 1 1 82 82 LYS C C 82 177.700 177.700 178.599 -0.899 25195 11050 1 17 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.168 -2.368 25195 11051 1 17 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.307 -0.907 25195 11052 1 17 . 1 1 82 82 LYS H H 82 8.190 8.190 8.398 -0.208 25195 11053 1 17 . 1 1 83 83 GLU N N 83 118.700 118.700 119.949 -1.249 25195 11054 1 17 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.347 -0.147 25195 11055 1 17 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.095 0.705 25195 11056 1 17 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.396 1.904 25195 11057 1 17 . 1 1 83 83 GLU H H 83 7.120 7.120 7.815 -0.695 25195 11058 1 17 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.896 0.314 25195 11059 1 17 . 1 1 84 84 ALA C C 84 180.900 180.900 179.220 1.680 25195 11060 1 17 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.731 -0.031 25195 11061 1 17 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.900 -1.100 25195 11062 1 17 . 1 1 85 85 ARG N N 85 115.800 115.800 118.748 -2.948 25195 11063 1 17 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.967 0.093 25195 11064 1 17 . 1 1 85 85 ARG C C 85 178.200 178.200 178.135 0.065 25195 11065 1 17 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.753 -1.853 25195 11066 1 17 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.425 0.475 25195 11067 1 17 . 1 1 85 85 ARG H H 85 9.280 9.280 8.216 1.064 25195 11068 1 17 . 1 1 86 86 TYR N N 86 118.300 118.300 120.117 -1.817 25195 11069 1 17 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.066 -0.226 25195 11070 1 17 . 1 1 86 86 TYR C C 86 176.500 176.500 176.785 -0.285 25195 11071 1 17 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.750 -0.550 25195 11072 1 17 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.911 0.289 25195 11073 1 17 . 1 1 86 86 TYR H H 86 7.270 7.270 8.643 -1.373 25195 11074 1 17 . 1 1 87 87 ALA N N 87 120.500 120.500 120.039 0.461 25195 11075 1 17 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.939 0.401 25195 11076 1 17 . 1 1 87 87 ALA C C 87 181.900 181.900 180.338 1.562 25195 11077 1 17 . 1 1 87 87 ALA CA C 87 54.400 54.400 53.970 0.430 25195 11078 1 17 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.966 0.434 25195 11079 1 17 . 1 1 87 87 ALA H H 87 7.110 7.110 7.648 -0.538 25195 11080 1 17 . 1 1 88 88 GLU N N 88 119.500 119.500 120.023 -0.523 25195 11081 1 17 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.017 -0.037 25195 11082 1 17 . 1 1 88 88 GLU C C 88 178.800 178.800 178.463 0.337 25195 11083 1 17 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.806 0.494 25195 11084 1 17 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.529 0.971 25195 11085 1 17 . 1 1 88 88 GLU H H 88 8.240 8.240 8.147 0.093 25195 11086 1 17 . 1 1 89 89 LEU N N 89 115.100 115.100 117.098 -1.998 25195 11087 1 17 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.237 0.043 25195 11088 1 17 . 1 1 89 89 LEU C C 89 176.900 176.900 177.400 -0.500 25195 11089 1 17 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.458 -0.958 25195 11090 1 17 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.428 0.372 25195 11091 1 17 . 1 1 89 89 LEU H H 89 7.430 7.430 7.881 -0.451 25195 11092 1 17 . 1 1 90 90 GLY N N 90 108.200 108.200 106.083 2.117 25195 11093 1 17 . 1 1 90 90 GLY C C 90 176.900 176.900 175.707 1.193 25195 11094 1 17 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.524 1.476 25195 11095 1 17 . 1 1 90 90 GLY H H 90 7.690 7.690 7.741 -0.051 25195 11096 1 17 . 1 1 91 91 LEU N N 91 113.000 113.000 119.009 -6.009 25195 11097 1 17 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.034 -0.264 25195 11098 1 17 . 1 1 91 91 LEU CA C 91 55.700 55.700 56.663 -0.964 25195 11099 1 17 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.094 -1.794 25195 11100 1 17 . 1 1 91 91 LEU H H 91 7.000 7.000 7.404 -0.404 25195 11101 1 17 . 1 1 92 92 ASP N N 92 117.000 117.000 113.949 3.051 25195 11102 1 17 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.525 -0.085 25195 11103 1 17 . 1 1 92 92 ASP C C 92 175.400 175.400 176.403 -1.003 25195 11104 1 17 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.146 -0.346 25195 11105 1 17 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.593 0.107 25195 11106 1 17 . 1 1 92 92 ASP H H 92 8.510 8.510 7.738 0.772 25195 11107 1 17 . 1 1 93 93 ASP N N 93 120.600 120.600 120.993 -0.393 25195 11108 1 17 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.602 -0.022 25195 11109 1 17 . 1 1 93 93 ASP C C 93 176.000 176.000 177.237 -1.237 25195 11110 1 17 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.654 -1.554 25195 11111 1 17 . 1 1 93 93 ASP CB C 93 41.500 41.500 42.094 -0.594 25195 11112 1 17 . 1 1 93 93 ASP H H 93 7.000 7.000 7.566 -0.566 25195 11113 1 17 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.338 -0.038 25195 11114 1 17 . 1 1 94 94 PRO C C 94 178.100 178.100 177.012 1.088 25195 11115 1 17 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.100 -0.300 25195 11116 1 17 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.002 0.198 25195 11117 1 17 . 1 1 95 95 ALA N N 95 121.900 121.900 120.677 1.223 25195 11118 1 17 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.107 0.163 25195 11119 1 17 . 1 1 95 95 ALA C C 95 178.400 178.400 178.301 0.099 25195 11120 1 17 . 1 1 95 95 ALA CA C 95 52.500 52.500 53.214 -0.714 25195 11121 1 17 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.968 0.232 25195 11122 1 17 . 1 1 95 95 ALA H H 95 8.610 8.610 7.670 0.940 25195 11123 1 17 . 1 1 96 96 LEU N N 96 117.600 117.600 117.671 -0.071 25195 11124 1 17 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.203 -0.033 25195 11125 1 17 . 1 1 96 96 LEU C C 96 177.600 177.600 176.572 1.028 25195 11126 1 17 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.626 -0.126 25195 11127 1 17 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.334 0.066 25195 11128 1 17 . 1 1 96 96 LEU H H 96 7.010 7.010 7.451 -0.441 25195 11129 1 17 . 1 1 97 97 SER N N 97 119.200 119.200 111.443 7.757 25195 11130 1 17 . 1 1 97 97 SER HA H 97 4.360 4.360 4.771 -0.411 25195 11131 1 17 . 1 1 97 97 SER C C 97 174.400 174.400 174.167 0.233 25195 11132 1 17 . 1 1 97 97 SER CA C 97 57.300 57.300 57.341 -0.041 25195 11133 1 17 . 1 1 97 97 SER CB C 97 64.900 64.900 65.655 -0.755 25195 11134 1 17 . 1 1 97 97 SER H H 97 8.620 8.620 8.009 0.611 25195 11135 1 17 . 1 1 98 98 ASP N N 98 122.000 122.000 122.587 -0.587 25195 11136 1 17 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.362 -0.092 25195 11137 1 17 . 1 1 98 98 ASP C C 98 178.100 178.100 178.012 0.088 25195 11138 1 17 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.581 0.218 25195 11139 1 17 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.633 -0.533 25195 11140 1 17 . 1 1 98 98 ASP H H 98 9.050 9.050 8.788 0.262 25195 11141 1 17 . 1 1 99 99 GLU N N 99 116.100 116.100 119.426 -3.326 25195 11142 1 17 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.008 -0.218 25195 11143 1 17 . 1 1 99 99 GLU C C 99 176.800 176.800 178.871 -2.071 25195 11144 1 17 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.660 0.240 25195 11145 1 17 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.274 -0.074 25195 11146 1 17 . 1 1 99 99 GLU H H 99 8.250 8.250 8.890 -0.640 25195 11147 1 17 . 1 1 100 100 VAL N N 100 118.000 118.000 116.867 1.133 25195 11148 1 17 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.833 -0.023 25195 11149 1 17 . 1 1 100 100 VAL C C 100 179.200 179.200 177.928 1.272 25195 11150 1 17 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.358 0.242 25195 11151 1 17 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.499 -0.099 25195 11152 1 17 . 1 1 100 100 VAL H H 100 7.290 7.290 7.720 -0.430 25195 11153 1 17 . 1 1 101 101 LEU N N 101 120.100 120.100 121.009 -0.909 25195 11154 1 17 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.038 -0.088 25195 11155 1 17 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.991 0.109 25195 11156 1 17 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.912 0.588 25195 11157 1 17 . 1 1 101 101 LEU H H 101 7.610 7.610 7.877 -0.267 25195 11158 1 17 . 1 1 102 102 ILE N N 102 118.900 118.900 119.670 -0.770 25195 11159 1 17 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.541 -0.121 25195 11160 1 17 . 1 1 102 102 ILE C C 102 177.700 177.700 177.785 -0.085 25195 11161 1 17 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.294 0.106 25195 11162 1 17 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.638 0.862 25195 11163 1 17 . 1 1 102 102 ILE H H 102 8.260 8.260 8.593 -0.333 25195 11164 1 17 . 1 1 103 103 ASP N N 103 118.000 118.000 120.084 -2.084 25195 11165 1 17 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.234 0.086 25195 11166 1 17 . 1 1 103 103 ASP C C 103 179.400 179.400 178.539 0.861 25195 11167 1 17 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.788 0.012 25195 11168 1 17 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.954 -0.854 25195 11169 1 17 . 1 1 103 103 ASP H H 103 8.080 8.080 8.082 -0.002 25195 11170 1 17 . 1 1 104 104 ALA N N 104 121.500 121.500 121.932 -0.432 25195 11171 1 17 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.134 -0.064 25195 11172 1 17 . 1 1 104 104 ALA C C 104 179.900 179.900 179.644 0.256 25195 11173 1 17 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.806 0.594 25195 11174 1 17 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.402 -0.702 25195 11175 1 17 . 1 1 104 104 ALA H H 104 8.210 8.210 8.045 0.165 25195 11176 1 17 . 1 1 105 105 MET N N 105 115.800 115.800 119.275 -3.475 25195 11177 1 17 . 1 1 105 105 MET HA H 105 3.940 3.940 4.141 -0.201 25195 11178 1 17 . 1 1 105 105 MET C C 105 176.700 176.700 178.375 -1.675 25195 11179 1 17 . 1 1 105 105 MET CA C 105 59.500 59.500 58.976 0.524 25195 11180 1 17 . 1 1 105 105 MET CB C 105 35.400 35.400 33.027 2.373 25195 11181 1 17 . 1 1 105 105 MET H H 105 7.520 7.520 7.744 -0.224 25195 11182 1 17 . 1 1 106 106 ILE N N 106 118.100 118.100 116.003 2.097 25195 11183 1 17 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.887 0.133 25195 11184 1 17 . 1 1 106 106 ILE C C 106 178.200 178.200 177.694 0.506 25195 11185 1 17 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.122 -1.122 25195 11186 1 17 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.252 0.448 25195 11187 1 17 . 1 1 106 106 ILE H H 106 7.730 7.730 8.631 -0.901 25195 11188 1 17 . 1 1 107 107 SER N N 107 112.400 112.400 113.667 -1.267 25195 11189 1 17 . 1 1 107 107 SER HA H 107 4.340 4.340 4.431 -0.091 25195 11190 1 17 . 1 1 107 107 SER C C 107 174.800 174.800 175.064 -0.264 25195 11191 1 17 . 1 1 107 107 SER CA C 107 60.400 60.400 59.299 1.101 25195 11192 1 17 . 1 1 107 107 SER CB C 107 64.000 64.000 64.400 -0.400 25195 11193 1 17 . 1 1 107 107 SER H H 107 8.160 8.160 7.639 0.521 25195 11194 1 17 . 1 1 108 108 ASN N N 108 116.400 116.400 120.142 -3.742 25195 11195 1 17 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.044 0.246 25195 11196 1 17 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.601 -1.501 25195 11197 1 17 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.895 1.305 25195 11198 1 17 . 1 1 108 108 ASN H H 108 7.700 7.700 7.858 -0.158 25195 11199 1 17 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.364 0.406 25195 11200 1 17 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.913 0.887 25195 11201 1 17 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.720 0.480 25195 11202 1 17 . 1 1 110 110 VAL N N 110 119.100 119.100 113.111 5.989 25195 11203 1 17 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.845 0.205 25195 11204 1 17 . 1 1 110 110 VAL C C 110 175.200 175.200 176.301 -1.101 25195 11205 1 17 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.953 0.647 25195 11206 1 17 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.947 0.253 25195 11207 1 17 . 1 1 110 110 VAL H H 110 8.280 8.280 7.681 0.599 25195 11208 1 17 . 1 1 111 111 LEU N N 111 115.200 115.200 114.118 1.082 25195 11209 1 17 . 1 1 111 111 LEU CA C 111 55.400 55.400 54.968 0.432 25195 11210 1 17 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.261 1.938 25195 11211 1 17 . 1 1 111 111 LEU H H 111 8.420 8.420 7.285 1.135 25195 11212 1 17 . 1 1 112 112 MET N N 112 118.900 118.900 117.716 1.184 25195 11213 1 17 . 1 1 112 112 MET HA H 112 4.060 4.060 4.278 -0.218 25195 11214 1 17 . 1 1 112 112 MET CA C 112 56.500 56.500 56.690 -0.189 25195 11215 1 17 . 1 1 112 112 MET CB C 112 35.600 35.600 31.255 4.345 25195 11216 1 17 . 1 1 112 112 MET H H 112 7.940 7.940 7.694 0.246 25195 11217 1 17 . 1 1 113 113 ASN N N 113 125.800 125.800 121.420 4.380 25195 11218 1 17 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.715 -0.075 25195 11219 1 17 . 1 1 113 113 ASN C C 113 170.700 170.700 175.764 -5.064 25195 11220 1 17 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.066 -0.867 25195 11221 1 17 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.838 -1.938 25195 11222 1 17 . 1 1 113 113 ASN H H 113 9.140 9.140 8.316 0.824 25195 11223 1 17 . 1 1 114 114 ARG N N 114 113.200 113.200 120.974 -7.774 25195 11224 1 17 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.685 -4.885 25195 11225 1 17 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.829 1.971 25195 11226 1 17 . 1 1 114 114 ARG H H 114 7.970 7.970 8.149 -0.179 25195 11227 1 17 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.798 0.022 25195 11228 1 17 . 1 1 115 115 PRO C C 115 175.400 175.400 175.965 -0.565 25195 11229 1 17 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.668 -0.068 25195 11230 1 17 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.958 2.442 25195 11231 1 17 . 1 1 116 116 VAL N N 116 124.500 124.500 125.912 -1.412 25195 11232 1 17 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.360 0.720 25195 11233 1 17 . 1 1 116 116 VAL C C 116 174.500 174.500 174.455 0.045 25195 11234 1 17 . 1 1 116 116 VAL CA C 116 62.500 62.500 60.794 1.706 25195 11235 1 17 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.531 -2.531 25195 11236 1 17 . 1 1 116 116 VAL H H 116 7.840 7.840 8.802 -0.962 25195 11237 1 17 . 1 1 117 117 VAL N N 117 128.000 128.000 125.645 2.355 25195 11238 1 17 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.244 0.536 25195 11239 1 17 . 1 1 117 117 VAL CA C 117 61.000 61.000 61.295 -0.295 25195 11240 1 17 . 1 1 117 117 VAL CB C 117 34.800 34.800 33.720 1.080 25195 11241 1 17 . 1 1 117 117 VAL H H 117 8.670 8.670 9.085 -0.415 25195 11242 1 17 . 1 1 118 118 VAL N N 118 125.700 125.700 129.549 -3.849 25195 11243 1 17 . 1 1 118 118 VAL C C 118 175.700 175.700 174.271 1.429 25195 11244 1 17 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.301 -0.101 25195 11245 1 17 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.344 2.656 25195 11246 1 17 . 1 1 118 118 VAL H H 118 9.110 9.110 9.141 -0.031 25195 11247 1 17 . 1 1 119 119 THR N N 119 118.500 118.500 118.570 -0.070 25195 11248 1 17 . 1 1 119 119 THR HA H 119 5.490 5.490 4.944 0.546 25195 11249 1 17 . 1 1 119 119 THR CA C 119 58.800 58.800 58.601 0.199 25195 11250 1 17 . 1 1 119 119 THR CB C 119 69.800 69.800 70.563 -0.763 25195 11251 1 17 . 1 1 119 119 THR H H 119 9.370 9.370 8.700 0.670 25195 11252 1 17 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.459 0.021 25195 11253 1 17 . 1 1 120 120 PRO C C 120 177.800 177.800 177.042 0.758 25195 11254 1 17 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.682 0.418 25195 11255 1 17 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.710 0.590 25195 11256 1 17 . 1 1 121 121 LYS N N 121 113.600 113.600 118.179 -4.579 25195 11257 1 17 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.489 -0.229 25195 11258 1 17 . 1 1 121 121 LYS C C 121 176.400 176.400 175.653 0.747 25195 11259 1 17 . 1 1 121 121 LYS CA C 121 57.200 57.200 54.982 2.218 25195 11260 1 17 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.911 -0.111 25195 11261 1 17 . 1 1 121 121 LYS H H 121 8.360 8.360 7.845 0.515 25195 11262 1 17 . 1 1 122 122 GLY N N 122 108.400 108.400 107.687 0.713 25195 11263 1 17 . 1 1 122 122 GLY C C 122 169.500 169.500 171.599 -2.099 25195 11264 1 17 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.838 0.262 25195 11265 1 17 . 1 1 122 122 GLY H H 122 7.900 7.900 7.454 0.446 25195 11266 1 17 . 1 1 123 123 VAL N N 123 117.100 117.100 115.585 1.515 25195 11267 1 17 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.268 0.193 25195 11268 1 17 . 1 1 123 123 VAL C C 123 176.100 176.100 173.801 2.299 25195 11269 1 17 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.005 -0.005 25195 11270 1 17 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.414 -0.614 25195 11271 1 17 . 1 1 123 123 VAL H H 123 8.080 8.080 8.310 -0.230 25195 11272 1 17 . 1 1 124 124 ARG N N 124 122.300 122.300 121.541 0.759 25195 11273 1 17 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.554 0.106 25195 11274 1 17 . 1 1 124 124 ARG C C 124 174.800 174.800 174.303 0.497 25195 11275 1 17 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.253 0.147 25195 11276 1 17 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.719 1.181 25195 11277 1 17 . 1 1 124 124 ARG H H 124 8.510 8.510 8.618 -0.108 25195 11278 1 17 . 1 1 125 125 LEU N N 125 125.500 125.500 122.209 3.291 25195 11279 1 17 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.177 0.423 25195 11280 1 17 . 1 1 125 125 LEU C C 125 176.500 176.500 178.779 -2.279 25195 11281 1 17 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.941 -1.241 25195 11282 1 17 . 1 1 125 125 LEU CB C 125 40.900 40.900 40.734 0.166 25195 11283 1 17 . 1 1 125 125 LEU H H 125 8.860 8.860 8.708 0.152 25195 11284 1 17 . 1 1 126 126 CYS N N 126 129.700 129.700 123.761 5.939 25195 11285 1 17 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.160 0.330 25195 11286 1 17 . 1 1 126 126 CYS C C 126 172.000 172.000 174.279 -2.279 25195 11287 1 17 . 1 1 126 126 CYS CA C 126 59.900 59.900 60.090 -0.189 25195 11288 1 17 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.812 -0.512 25195 11289 1 17 . 1 1 126 126 CYS H H 126 8.540 8.540 8.657 -0.117 25195 11290 1 17 . 1 1 127 127 ARG N N 127 117.500 117.500 118.283 -0.783 25195 11291 1 17 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.718 -0.528 25195 11292 1 17 . 1 1 127 127 ARG CA C 127 53.200 53.200 52.086 1.114 25195 11293 1 17 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.177 2.223 25195 11294 1 17 . 1 1 127 127 ARG H H 127 6.930 6.930 7.236 -0.306 25195 11295 1 17 . 1 1 128 128 PRO C C 128 177.100 177.100 176.945 0.155 25195 11296 1 17 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.391 0.809 25195 11297 1 17 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.821 2.479 25195 11298 1 17 . 1 1 129 129 ALA N N 129 124.000 124.000 120.839 3.161 25195 11299 1 17 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.044 -0.194 25195 11300 1 17 . 1 1 129 129 ALA C C 129 177.700 177.700 180.038 -2.338 25195 11301 1 17 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.973 0.227 25195 11302 1 17 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.497 1.403 25195 11303 1 17 . 1 1 129 129 ALA H H 129 9.320 9.320 8.540 0.780 25195 11304 1 17 . 1 1 130 130 GLU N N 130 111.600 111.600 117.671 -6.071 25195 11305 1 17 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.052 -0.212 25195 11306 1 17 . 1 1 130 130 GLU C C 130 178.200 178.200 179.131 -0.931 25195 11307 1 17 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.572 0.928 25195 11308 1 17 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.178 -1.079 25195 11309 1 17 . 1 1 130 130 GLU H H 130 9.490 9.490 8.875 0.615 25195 11310 1 17 . 1 1 131 131 THR N N 131 116.100 116.100 113.906 2.194 25195 11311 1 17 . 1 1 131 131 THR HA H 131 4.040 4.040 4.060 -0.020 25195 11312 1 17 . 1 1 131 131 THR C C 131 175.800 175.800 176.422 -0.622 25195 11313 1 17 . 1 1 131 131 THR CA C 131 65.600 65.600 65.896 -0.296 25195 11314 1 17 . 1 1 131 131 THR CB C 131 69.800 69.800 68.631 1.169 25195 11315 1 17 . 1 1 131 131 THR H H 131 7.940 7.940 7.663 0.277 25195 11316 1 17 . 1 1 132 132 VAL N N 132 119.200 119.200 122.117 -2.917 25195 11317 1 17 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.642 0.238 25195 11318 1 17 . 1 1 132 132 VAL C C 132 176.500 176.500 177.773 -1.273 25195 11319 1 17 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.686 -1.586 25195 11320 1 17 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.631 0.769 25195 11321 1 17 . 1 1 132 132 VAL H H 132 8.130 8.130 7.663 0.467 25195 11322 1 17 . 1 1 133 133 GLN N N 133 118.500 118.500 118.571 -0.071 25195 11323 1 17 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.093 -0.243 25195 11324 1 17 . 1 1 133 133 GLN C C 133 178.500 178.500 178.019 0.481 25195 11325 1 17 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.450 0.350 25195 11326 1 17 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.573 -0.573 25195 11327 1 17 . 1 1 133 133 GLN H H 133 7.690 7.690 7.995 -0.305 25195 11328 1 17 . 1 1 134 134 GLU N N 134 115.200 115.200 118.897 -3.697 25195 11329 1 17 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.185 -0.045 25195 11330 1 17 . 1 1 134 134 GLU C C 134 177.000 177.000 178.291 -1.291 25195 11331 1 17 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.792 0.008 25195 11332 1 17 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.960 -0.060 25195 11333 1 17 . 1 1 134 134 GLU H H 134 7.620 7.620 7.663 -0.043 25195 11334 1 17 . 1 1 135 135 LEU N N 135 115.600 115.600 119.955 -4.355 25195 11335 1 17 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.209 0.011 25195 11336 1 17 . 1 1 135 135 LEU C C 135 176.100 176.100 176.825 -0.725 25195 11337 1 17 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.614 -2.814 25195 11338 1 17 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.891 0.409 25195 11339 1 17 . 1 1 135 135 LEU H H 135 7.740 7.740 7.786 -0.046 25195 11340 1 18 . 1 1 9 9 MET C C 9 176.700 176.700 174.172 2.528 25195 11341 1 18 . 1 1 9 9 MET CA C 9 55.600 55.600 55.013 0.587 25195 11342 1 18 . 1 1 9 9 MET CB C 9 32.700 32.700 35.032 -2.333 25195 11343 1 18 . 1 1 10 10 GLY N N 10 109.800 109.800 111.433 -1.633 25195 11344 1 18 . 1 1 10 10 GLY C C 10 174.400 174.400 172.578 1.822 25195 11345 1 18 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.045 0.255 25195 11346 1 18 . 1 1 10 10 GLY H H 10 8.480 8.480 8.988 -0.508 25195 11347 1 18 . 1 1 11 11 THR N N 11 113.500 113.500 115.447 -1.947 25195 11348 1 18 . 1 1 11 11 THR HA H 11 4.330 4.330 4.757 -0.427 25195 11349 1 18 . 1 1 11 11 THR CA C 11 62.100 62.100 61.358 0.742 25195 11350 1 18 . 1 1 11 11 THR CB C 11 69.900 69.900 69.998 -0.098 25195 11351 1 18 . 1 1 11 11 THR H H 11 8.080 8.080 8.472 -0.392 25195 11352 1 18 . 1 1 12 12 LEU N N 12 123.900 123.900 122.580 1.320 25195 11353 1 18 . 1 1 12 12 LEU HA H 12 4.310 4.310 5.116 -0.806 25195 11354 1 18 . 1 1 12 12 LEU C C 12 177.700 177.700 175.343 2.357 25195 11355 1 18 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.719 1.081 25195 11356 1 18 . 1 1 12 12 LEU CB C 12 42.200 42.200 43.475 -1.276 25195 11357 1 18 . 1 1 12 12 LEU H H 12 8.390 8.390 8.673 -0.283 25195 11358 1 18 . 1 1 13 13 GLU N N 13 121.300 121.300 118.873 2.427 25195 11359 1 18 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.482 -0.282 25195 11360 1 18 . 1 1 13 13 GLU C C 13 176.500 176.500 175.872 0.628 25195 11361 1 18 . 1 1 13 13 GLU CA C 13 57.100 57.100 54.936 2.164 25195 11362 1 18 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.772 -1.872 25195 11363 1 18 . 1 1 13 13 GLU H H 13 8.430 8.430 8.236 0.194 25195 11364 1 18 . 1 1 14 14 ALA N N 14 124.100 124.100 122.677 1.423 25195 11365 1 18 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.286 -0.016 25195 11366 1 18 . 1 1 14 14 ALA C C 14 177.900 177.900 176.772 1.128 25195 11367 1 18 . 1 1 14 14 ALA CA C 14 52.800 52.800 52.056 0.744 25195 11368 1 18 . 1 1 14 14 ALA CB C 14 19.200 19.200 19.232 -0.031 25195 11369 1 18 . 1 1 14 14 ALA H H 14 8.270 8.270 8.143 0.127 25195 11370 1 18 . 1 1 15 15 GLN N N 15 118.900 118.900 119.487 -0.587 25195 11371 1 18 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.096 0.144 25195 11372 1 18 . 1 1 15 15 GLN C C 15 176.500 176.500 175.050 1.450 25195 11373 1 18 . 1 1 15 15 GLN CA C 15 55.800 55.800 56.750 -0.950 25195 11374 1 18 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.292 1.108 25195 11375 1 18 . 1 1 15 15 GLN H H 15 8.360 8.360 8.296 0.064 25195 11376 1 18 . 1 1 16 16 THR N N 16 114.900 114.900 118.210 -3.310 25195 11377 1 18 . 1 1 16 16 THR HA H 16 4.360 4.360 4.407 -0.047 25195 11378 1 18 . 1 1 16 16 THR C C 16 174.600 174.600 173.671 0.929 25195 11379 1 18 . 1 1 16 16 THR CA C 16 61.900 61.900 60.739 1.161 25195 11380 1 18 . 1 1 16 16 THR CB C 16 69.800 69.800 70.321 -0.521 25195 11381 1 18 . 1 1 16 16 THR H H 16 8.190 8.190 8.074 0.116 25195 11382 1 18 . 1 1 17 17 GLN N N 17 122.100 122.100 121.569 0.531 25195 11383 1 18 . 1 1 17 17 GLN C C 17 176.100 176.100 175.618 0.482 25195 11384 1 18 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.591 -0.891 25195 11385 1 18 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.186 1.514 25195 11386 1 18 . 1 1 17 17 GLN H H 17 8.440 8.440 8.566 -0.126 25195 11387 1 18 . 1 1 18 18 GLY N N 18 110.100 110.100 112.882 -2.782 25195 11388 1 18 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.494 0.206 25195 11389 1 18 . 1 1 18 18 GLY H H 18 8.370 8.370 8.240 0.130 25195 11390 1 18 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.479 -0.039 25195 11391 1 18 . 1 1 19 19 PRO C C 19 177.700 177.700 176.983 0.717 25195 11392 1 18 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.531 1.169 25195 11393 1 18 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.439 -0.039 25195 11394 1 18 . 1 1 20 20 GLY N N 20 109.200 109.200 106.652 2.548 25195 11395 1 18 . 1 1 20 20 GLY C C 20 174.400 174.400 174.713 -0.313 25195 11396 1 18 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.014 0.386 25195 11397 1 18 . 1 1 20 20 GLY H H 20 8.620 8.620 8.300 0.320 25195 11398 1 18 . 1 1 21 21 SER N N 21 115.000 115.000 116.800 -1.800 25195 11399 1 18 . 1 1 21 21 SER HA H 21 4.420 4.420 4.502 -0.082 25195 11400 1 18 . 1 1 21 21 SER C C 21 174.600 174.600 174.271 0.329 25195 11401 1 18 . 1 1 21 21 SER CA C 21 58.600 58.600 57.969 0.631 25195 11402 1 18 . 1 1 21 21 SER CB C 21 64.100 64.100 63.692 0.408 25195 11403 1 18 . 1 1 21 21 SER H H 21 8.180 8.180 8.402 -0.222 25195 11404 1 18 . 1 1 22 22 MET N N 22 121.500 121.500 119.455 2.045 25195 11405 1 18 . 1 1 22 22 MET HA H 22 4.440 4.440 4.675 -0.235 25195 11406 1 18 . 1 1 22 22 MET C C 22 175.100 175.100 175.145 -0.045 25195 11407 1 18 . 1 1 22 22 MET CA C 22 55.600 55.600 55.022 0.578 25195 11408 1 18 . 1 1 22 22 MET CB C 22 33.600 33.600 34.402 -0.802 25195 11409 1 18 . 1 1 22 22 MET H H 22 8.340 8.340 7.442 0.898 25195 11410 1 18 . 1 1 23 23 ASP N N 23 123.000 123.000 120.726 2.274 25195 11411 1 18 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.737 -0.127 25195 11412 1 18 . 1 1 23 23 ASP CA C 23 54.800 54.800 54.001 0.799 25195 11413 1 18 . 1 1 23 23 ASP CB C 23 41.700 41.700 40.715 0.985 25195 11414 1 18 . 1 1 23 23 ASP H H 23 8.170 8.170 8.369 -0.199 25195 11415 1 18 . 1 1 24 24 VAL N N 24 123.200 123.200 116.095 7.105 25195 11416 1 18 . 1 1 24 24 VAL HA H 24 5.040 5.040 5.153 -0.113 25195 11417 1 18 . 1 1 24 24 VAL C C 24 174.900 174.900 174.404 0.496 25195 11418 1 18 . 1 1 24 24 VAL CA C 24 60.900 60.900 59.773 1.127 25195 11419 1 18 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.722 0.378 25195 11420 1 18 . 1 1 24 24 VAL H H 24 8.210 8.210 7.850 0.360 25195 11421 1 18 . 1 1 25 25 THR N N 25 124.200 124.200 122.747 1.453 25195 11422 1 18 . 1 1 25 25 THR HA H 25 5.310 5.310 4.822 0.488 25195 11423 1 18 . 1 1 25 25 THR C C 25 172.300 172.300 173.043 -0.743 25195 11424 1 18 . 1 1 25 25 THR CA C 25 61.800 61.800 61.313 0.487 25195 11425 1 18 . 1 1 25 25 THR CB C 25 71.600 71.600 71.073 0.527 25195 11426 1 18 . 1 1 25 25 THR H H 25 9.170 9.170 8.563 0.607 25195 11427 1 18 . 1 1 26 26 ILE N N 26 122.500 122.500 124.130 -1.630 25195 11428 1 18 . 1 1 26 26 ILE HA H 26 5.270 5.270 5.092 0.178 25195 11429 1 18 . 1 1 26 26 ILE C C 26 172.200 172.200 174.408 -2.208 25195 11430 1 18 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.063 -0.363 25195 11431 1 18 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.375 1.925 25195 11432 1 18 . 1 1 26 26 ILE H H 26 8.910 8.910 8.891 0.019 25195 11433 1 18 . 1 1 27 27 TYR N N 27 129.400 129.400 122.127 7.273 25195 11434 1 18 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.217 -0.037 25195 11435 1 18 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.716 1.784 25195 11436 1 18 . 1 1 27 27 TYR CB C 27 37.100 37.100 40.049 -2.949 25195 11437 1 18 . 1 1 27 27 TYR H H 27 9.090 9.090 9.221 -0.131 25195 11438 1 18 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.445 4.255 25195 11439 1 18 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.383 0.467 25195 11440 1 18 . 1 1 30 30 PRO C C 30 177.000 177.000 175.758 1.242 25195 11441 1 18 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.029 1.171 25195 11442 1 18 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.247 2.453 25195 11443 1 18 . 1 1 31 31 VAL N N 31 112.100 112.100 122.655 -10.555 25195 11444 1 18 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.159 0.001 25195 11445 1 18 . 1 1 31 31 VAL C C 31 175.000 175.000 175.592 -0.592 25195 11446 1 18 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.854 1.146 25195 11447 1 18 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.748 -2.248 25195 11448 1 18 . 1 1 31 31 VAL H H 31 7.290 7.290 8.229 -0.939 25195 11449 1 18 . 1 1 32 32 CYS N N 32 126.100 126.100 126.064 0.036 25195 11450 1 18 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.061 0.299 25195 11451 1 18 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.441 -2.142 25195 11452 1 18 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.101 3.099 25195 11453 1 18 . 1 1 32 32 CYS H H 32 7.780 7.780 8.993 -1.213 25195 11454 1 18 . 1 1 33 33 GLY C C 33 177.400 177.400 175.817 1.583 25195 11455 1 18 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.871 0.829 25195 11456 1 18 . 1 1 34 34 THR N N 34 123.700 123.700 119.545 4.155 25195 11457 1 18 . 1 1 34 34 THR HA H 34 4.250 4.250 4.054 0.196 25195 11458 1 18 . 1 1 34 34 THR C C 34 175.600 175.600 176.032 -0.432 25195 11459 1 18 . 1 1 34 34 THR CA C 34 67.600 67.600 67.090 0.510 25195 11460 1 18 . 1 1 34 34 THR CB C 34 68.700 68.700 68.753 -0.053 25195 11461 1 18 . 1 1 34 34 THR H H 34 9.110 9.110 8.071 1.039 25195 11462 1 18 . 1 1 35 35 SER N N 35 123.600 123.600 116.857 6.743 25195 11463 1 18 . 1 1 35 35 SER C C 35 177.900 177.900 176.610 1.290 25195 11464 1 18 . 1 1 35 35 SER CA C 35 63.800 63.800 61.405 2.395 25195 11465 1 18 . 1 1 35 35 SER CB C 35 63.800 63.800 62.907 0.893 25195 11466 1 18 . 1 1 35 35 SER H H 35 9.530 9.530 8.218 1.312 25195 11467 1 18 . 1 1 36 36 ARG N N 36 113.400 113.400 120.070 -6.670 25195 11468 1 18 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.105 -0.105 25195 11469 1 18 . 1 1 36 36 ARG C C 36 179.200 179.200 178.436 0.764 25195 11470 1 18 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.490 2.810 25195 11471 1 18 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.761 1.539 25195 11472 1 18 . 1 1 36 36 ARG H H 36 8.740 8.740 7.969 0.771 25195 11473 1 18 . 1 1 37 37 LYS N N 37 121.900 121.900 120.924 0.976 25195 11474 1 18 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.106 0.034 25195 11475 1 18 . 1 1 37 37 LYS C C 37 179.400 179.400 179.081 0.319 25195 11476 1 18 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.671 0.029 25195 11477 1 18 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.379 0.221 25195 11478 1 18 . 1 1 37 37 LYS H H 37 7.980 7.980 8.084 -0.104 25195 11479 1 18 . 1 1 38 38 VAL N N 38 120.900 120.900 117.708 3.192 25195 11480 1 18 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.664 -0.044 25195 11481 1 18 . 1 1 38 38 VAL C C 38 177.300 177.300 177.720 -0.420 25195 11482 1 18 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.478 0.822 25195 11483 1 18 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.036 0.864 25195 11484 1 18 . 1 1 38 38 VAL H H 38 8.670 8.670 8.090 0.580 25195 11485 1 18 . 1 1 39 39 LEU N N 39 120.200 120.200 120.971 -0.771 25195 11486 1 18 . 1 1 39 39 LEU C C 39 178.300 178.300 179.436 -1.136 25195 11487 1 18 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.669 0.931 25195 11488 1 18 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.222 0.378 25195 11489 1 18 . 1 1 39 39 LEU H H 39 8.300 8.300 8.384 -0.084 25195 11490 1 18 . 1 1 40 40 GLY N N 40 103.600 103.600 107.974 -4.374 25195 11491 1 18 . 1 1 40 40 GLY C C 40 176.600 176.600 176.415 0.185 25195 11492 1 18 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.196 0.204 25195 11493 1 18 . 1 1 40 40 GLY H H 40 8.050 8.050 8.366 -0.316 25195 11494 1 18 . 1 1 41 41 MET N N 41 122.300 122.300 121.921 0.379 25195 11495 1 18 . 1 1 41 41 MET HA H 41 4.030 4.030 4.375 -0.345 25195 11496 1 18 . 1 1 41 41 MET C C 41 179.200 179.200 179.230 -0.030 25195 11497 1 18 . 1 1 41 41 MET CA C 41 59.900 59.900 57.853 2.047 25195 11498 1 18 . 1 1 41 41 MET CB C 41 33.600 33.600 32.001 1.599 25195 11499 1 18 . 1 1 41 41 MET H H 41 8.310 8.310 7.930 0.380 25195 11500 1 18 . 1 1 42 42 ILE N N 42 120.600 120.600 119.852 0.748 25195 11501 1 18 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.571 -0.031 25195 11502 1 18 . 1 1 42 42 ILE C C 42 177.600 177.600 178.135 -0.535 25195 11503 1 18 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.460 0.740 25195 11504 1 18 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.371 1.729 25195 11505 1 18 . 1 1 42 42 ILE H H 42 8.260 8.260 8.242 0.018 25195 11506 1 18 . 1 1 43 43 ARG N N 43 117.200 117.200 119.112 -1.912 25195 11507 1 18 . 1 1 43 43 ARG C C 43 182.100 182.100 179.091 3.009 25195 11508 1 18 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.358 -0.258 25195 11509 1 18 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.124 -0.724 25195 11510 1 18 . 1 1 43 43 ARG H H 43 7.810 7.810 8.271 -0.461 25195 11511 1 18 . 1 1 44 44 GLU N N 44 122.200 122.200 119.143 3.057 25195 11512 1 18 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.110 -0.060 25195 11513 1 18 . 1 1 44 44 GLU C C 44 177.600 177.600 178.381 -0.781 25195 11514 1 18 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.615 0.485 25195 11515 1 18 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.585 -0.085 25195 11516 1 18 . 1 1 44 44 GLU H H 44 8.670 8.670 7.928 0.742 25195 11517 1 18 . 1 1 45 45 ALA N N 45 120.400 120.400 120.100 0.300 25195 11518 1 18 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.266 0.154 25195 11519 1 18 . 1 1 45 45 ALA C C 45 177.300 177.300 177.980 -0.680 25195 11520 1 18 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.636 -0.136 25195 11521 1 18 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.565 -1.165 25195 11522 1 18 . 1 1 45 45 ALA H H 45 7.430 7.430 7.846 -0.416 25195 11523 1 18 . 1 1 46 46 GLY N N 46 106.000 106.000 106.324 -0.324 25195 11524 1 18 . 1 1 46 46 GLY C C 46 173.800 173.800 173.683 0.117 25195 11525 1 18 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.749 0.551 25195 11526 1 18 . 1 1 46 46 GLY H H 46 8.080 8.080 7.766 0.314 25195 11527 1 18 . 1 1 47 47 ILE N N 47 121.500 121.500 119.586 1.914 25195 11528 1 18 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.485 -0.385 25195 11529 1 18 . 1 1 47 47 ILE C C 47 174.100 174.100 174.419 -0.319 25195 11530 1 18 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.779 0.921 25195 11531 1 18 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.207 0.893 25195 11532 1 18 . 1 1 47 47 ILE H H 47 7.180 7.180 7.668 -0.488 25195 11533 1 18 . 1 1 48 48 GLU N N 48 127.000 127.000 124.749 2.251 25195 11534 1 18 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.755 0.445 25195 11535 1 18 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.916 -1.617 25195 11536 1 18 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.499 -1.099 25195 11537 1 18 . 1 1 48 48 GLU H H 48 8.440 8.440 8.686 -0.246 25195 11538 1 18 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.950 -0.310 25195 11539 1 18 . 1 1 49 49 PRO C C 49 175.200 175.200 176.805 -1.605 25195 11540 1 18 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.439 -0.539 25195 11541 1 18 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.649 0.051 25195 11542 1 18 . 1 1 50 50 HIS N N 50 119.000 119.000 120.102 -1.102 25195 11543 1 18 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.712 -0.012 25195 11544 1 18 . 1 1 50 50 HIS C C 50 174.200 174.200 174.718 -0.518 25195 11545 1 18 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.045 1.355 25195 11546 1 18 . 1 1 50 50 HIS CB C 50 29.100 29.100 29.886 -0.786 25195 11547 1 18 . 1 1 50 50 HIS H H 50 9.160 9.160 8.495 0.665 25195 11548 1 18 . 1 1 51 51 VAL N N 51 128.400 128.400 126.786 1.614 25195 11549 1 18 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.244 -0.004 25195 11550 1 18 . 1 1 51 51 VAL C C 51 175.600 175.600 174.751 0.849 25195 11551 1 18 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.559 -0.359 25195 11552 1 18 . 1 1 51 51 VAL CB C 51 32.200 32.200 32.108 0.092 25195 11553 1 18 . 1 1 51 51 VAL H H 51 8.760 8.760 8.671 0.089 25195 11554 1 18 . 1 1 52 52 ILE N N 52 129.400 129.400 129.473 -0.073 25195 11555 1 18 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.307 -0.087 25195 11556 1 18 . 1 1 52 52 ILE C C 52 176.500 176.500 174.469 2.031 25195 11557 1 18 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.223 0.077 25195 11558 1 18 . 1 1 52 52 ILE CB C 52 38.200 38.200 39.571 -1.371 25195 11559 1 18 . 1 1 52 52 ILE H H 52 9.000 9.000 8.490 0.510 25195 11560 1 18 . 1 1 53 53 GLU N N 53 129.900 129.900 128.154 1.746 25195 11561 1 18 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.434 0.696 25195 11562 1 18 . 1 1 53 53 GLU C C 53 174.200 174.200 175.576 -1.376 25195 11563 1 18 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.768 -0.868 25195 11564 1 18 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.227 -0.927 25195 11565 1 18 . 1 1 53 53 GLU H H 53 9.180 9.180 8.666 0.514 25195 11566 1 18 . 1 1 54 54 TYR N N 54 124.200 124.200 125.605 -1.405 25195 11567 1 18 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.658 0.542 25195 11568 1 18 . 1 1 54 54 TYR C C 54 174.200 174.200 174.712 -0.512 25195 11569 1 18 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.708 -3.608 25195 11570 1 18 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.635 -2.635 25195 11571 1 18 . 1 1 54 54 TYR H H 54 8.460 8.460 7.958 0.502 25195 11572 1 18 . 1 1 55 55 MET N N 55 121.900 121.900 121.561 0.339 25195 11573 1 18 . 1 1 55 55 MET H H 55 7.660 7.660 7.836 -0.176 25195 11574 1 18 . 1 1 56 56 LYS C C 56 176.700 176.700 174.885 1.815 25195 11575 1 18 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.829 0.071 25195 11576 1 18 . 1 1 56 56 LYS CB C 56 29.200 29.200 31.004 -1.804 25195 11577 1 18 . 1 1 57 57 THR N N 57 114.700 114.700 111.345 3.355 25195 11578 1 18 . 1 1 57 57 THR HA H 57 4.720 4.720 4.080 0.640 25195 11579 1 18 . 1 1 57 57 THR CB C 57 70.500 70.500 68.297 2.203 25195 11580 1 18 . 1 1 57 57 THR H H 57 7.940 7.940 7.637 0.303 25195 11581 1 18 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.388 0.312 25195 11582 1 18 . 1 1 58 58 PRO C C 58 177.400 177.400 176.049 1.351 25195 11583 1 18 . 1 1 58 58 PRO CA C 58 62.800 62.800 63.047 -0.247 25195 11584 1 18 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.633 -0.033 25195 11585 1 18 . 1 1 59 59 LEU N N 59 125.300 125.300 121.608 3.692 25195 11586 1 18 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.733 -0.153 25195 11587 1 18 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.762 0.538 25195 11588 1 18 . 1 1 59 59 LEU H H 59 8.760 8.760 7.952 0.808 25195 11589 1 18 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.639 -0.129 25195 11590 1 18 . 1 1 60 60 PRO C C 60 178.400 178.400 177.686 0.714 25195 11591 1 18 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.101 -0.001 25195 11592 1 18 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.580 -0.280 25195 11593 1 18 . 1 1 61 61 ARG N N 61 125.800 125.800 119.714 6.086 25195 11594 1 18 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.840 -0.140 25195 11595 1 18 . 1 1 61 61 ARG C C 61 177.800 177.800 177.825 -0.025 25195 11596 1 18 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.859 0.941 25195 11597 1 18 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.357 1.043 25195 11598 1 18 . 1 1 61 61 ARG H H 61 8.980 8.980 8.718 0.262 25195 11599 1 18 . 1 1 62 62 ASP N N 62 113.300 113.300 120.360 -7.060 25195 11600 1 18 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.393 -0.153 25195 11601 1 18 . 1 1 62 62 ASP C C 62 179.100 179.100 178.589 0.511 25195 11602 1 18 . 1 1 62 62 ASP CA C 62 57.000 57.000 56.934 0.066 25195 11603 1 18 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.366 -0.666 25195 11604 1 18 . 1 1 62 62 ASP H H 62 8.820 8.820 8.412 0.408 25195 11605 1 18 . 1 1 63 63 MET N N 63 118.800 118.800 117.557 1.243 25195 11606 1 18 . 1 1 63 63 MET HA H 63 4.460 4.460 4.237 0.223 25195 11607 1 18 . 1 1 63 63 MET C C 63 177.700 177.700 178.588 -0.888 25195 11608 1 18 . 1 1 63 63 MET CA C 63 57.200 57.200 58.814 -1.614 25195 11609 1 18 . 1 1 63 63 MET CB C 63 32.500 32.500 32.131 0.369 25195 11610 1 18 . 1 1 63 63 MET H H 63 7.340 7.340 8.029 -0.689 25195 11611 1 18 . 1 1 64 64 LEU N N 64 121.000 121.000 120.540 0.460 25195 11612 1 18 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.078 -0.118 25195 11613 1 18 . 1 1 64 64 LEU C C 64 178.000 178.000 178.698 -0.698 25195 11614 1 18 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.255 0.045 25195 11615 1 18 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.602 -0.202 25195 11616 1 18 . 1 1 64 64 LEU H H 64 7.570 7.570 8.062 -0.492 25195 11617 1 18 . 1 1 65 65 VAL N N 65 117.200 117.200 119.395 -2.195 25195 11618 1 18 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.591 -0.161 25195 11619 1 18 . 1 1 65 65 VAL C C 65 178.500 178.500 178.377 0.123 25195 11620 1 18 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.558 1.042 25195 11621 1 18 . 1 1 65 65 VAL CB C 65 32.000 32.000 30.725 1.275 25195 11622 1 18 . 1 1 65 65 VAL H H 65 8.250 8.250 8.119 0.131 25195 11623 1 18 . 1 1 66 66 GLU N N 66 120.200 120.200 119.812 0.388 25195 11624 1 18 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.085 0.255 25195 11625 1 18 . 1 1 66 66 GLU C C 66 178.500 178.500 179.583 -1.083 25195 11626 1 18 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.180 -0.480 25195 11627 1 18 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.172 0.028 25195 11628 1 18 . 1 1 66 66 GLU H H 66 7.510 7.510 8.047 -0.537 25195 11629 1 18 . 1 1 67 67 LEU N N 67 121.100 121.100 120.417 0.683 25195 11630 1 18 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.222 -0.232 25195 11631 1 18 . 1 1 67 67 LEU C C 67 179.400 179.400 179.265 0.135 25195 11632 1 18 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.489 0.911 25195 11633 1 18 . 1 1 67 67 LEU CB C 67 41.800 41.800 41.512 0.288 25195 11634 1 18 . 1 1 67 67 LEU H H 67 8.480 8.480 8.095 0.385 25195 11635 1 18 . 1 1 68 68 LEU N N 68 118.500 118.500 118.246 0.254 25195 11636 1 18 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.096 -0.316 25195 11637 1 18 . 1 1 68 68 LEU C C 68 179.100 179.100 178.546 0.554 25195 11638 1 18 . 1 1 68 68 LEU CA C 68 58.700 58.700 58.315 0.385 25195 11639 1 18 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.208 0.192 25195 11640 1 18 . 1 1 68 68 LEU H H 68 8.250 8.250 8.475 -0.225 25195 11641 1 18 . 1 1 69 69 ARG N N 69 119.200 119.200 118.341 0.859 25195 11642 1 18 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.297 -0.247 25195 11643 1 18 . 1 1 69 69 ARG C C 69 180.400 180.400 178.312 2.088 25195 11644 1 18 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.381 1.119 25195 11645 1 18 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.856 0.244 25195 11646 1 18 . 1 1 69 69 ARG H H 69 7.950 7.950 8.160 -0.210 25195 11647 1 18 . 1 1 70 70 GLN N N 70 118.500 118.500 117.454 1.046 25195 11648 1 18 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.126 -0.096 25195 11649 1 18 . 1 1 70 70 GLN C C 70 179.900 179.900 177.922 1.978 25195 11650 1 18 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.722 1.178 25195 11651 1 18 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.792 0.608 25195 11652 1 18 . 1 1 70 70 GLN H H 70 8.450 8.450 7.727 0.723 25195 11653 1 18 . 1 1 71 71 MET N N 71 117.500 117.500 118.412 -0.912 25195 11654 1 18 . 1 1 71 71 MET HA H 71 4.140 4.140 4.144 -0.004 25195 11655 1 18 . 1 1 71 71 MET C C 71 175.200 175.200 176.341 -1.141 25195 11656 1 18 . 1 1 71 71 MET CA C 71 58.200 58.200 57.963 0.237 25195 11657 1 18 . 1 1 71 71 MET CB C 71 36.200 36.200 33.171 3.029 25195 11658 1 18 . 1 1 71 71 MET H H 71 8.380 8.380 7.823 0.557 25195 11659 1 18 . 1 1 72 72 ALA N N 72 120.400 120.400 118.103 2.297 25195 11660 1 18 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.456 -0.426 25195 11661 1 18 . 1 1 72 72 ALA C C 72 176.600 176.600 176.906 -0.306 25195 11662 1 18 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.203 0.598 25195 11663 1 18 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.386 -4.886 25195 11664 1 18 . 1 1 72 72 ALA H H 72 8.100 8.100 7.583 0.517 25195 11665 1 18 . 1 1 73 73 ILE N N 73 108.600 108.600 116.928 -8.328 25195 11666 1 18 . 1 1 73 73 ILE C C 73 174.700 174.700 175.021 -0.321 25195 11667 1 18 . 1 1 73 73 ILE CA C 73 58.900 58.900 59.007 -0.107 25195 11668 1 18 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.087 2.513 25195 11669 1 18 . 1 1 73 73 ILE H H 73 7.240 7.240 7.735 -0.495 25195 11670 1 18 . 1 1 74 74 SER N N 74 116.500 116.500 117.761 -1.261 25195 11671 1 18 . 1 1 74 74 SER HA H 74 4.780 4.780 4.516 0.264 25195 11672 1 18 . 1 1 74 74 SER CA C 74 55.900 55.900 58.417 -2.517 25195 11673 1 18 . 1 1 74 74 SER CB C 74 63.500 63.500 63.011 0.489 25195 11674 1 18 . 1 1 74 74 SER H H 74 8.290 8.290 8.527 -0.237 25195 11675 1 18 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.328 0.432 25195 11676 1 18 . 1 1 75 75 PRO C C 75 178.200 178.200 178.177 0.023 25195 11677 1 18 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.262 1.338 25195 11678 1 18 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.935 0.165 25195 11679 1 18 . 1 1 76 76 ARG N N 76 114.400 114.400 119.685 -5.285 25195 11680 1 18 . 1 1 76 76 ARG C C 76 178.100 178.100 175.711 2.389 25195 11681 1 18 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.472 1.528 25195 11682 1 18 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.109 -0.709 25195 11683 1 18 . 1 1 76 76 ARG H H 76 8.340 8.340 8.395 -0.055 25195 11684 1 18 . 1 1 77 77 ALA N N 77 119.400 119.400 119.339 0.061 25195 11685 1 18 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.499 -0.269 25195 11686 1 18 . 1 1 77 77 ALA C C 77 178.100 178.100 176.752 1.348 25195 11687 1 18 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.284 2.516 25195 11688 1 18 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.963 -0.363 25195 11689 1 18 . 1 1 77 77 ALA H H 77 7.720 7.720 7.653 0.067 25195 11690 1 18 . 1 1 78 78 LEU N N 78 119.400 119.400 120.097 -0.697 25195 11691 1 18 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.464 -0.084 25195 11692 1 18 . 1 1 78 78 LEU C C 78 174.800 174.800 176.283 -1.483 25195 11693 1 18 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.251 -2.351 25195 11694 1 18 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.573 0.527 25195 11695 1 18 . 1 1 78 78 LEU H H 78 7.610 7.610 7.654 -0.044 25195 11696 1 18 . 1 1 79 79 LEU N N 79 118.700 118.700 120.625 -1.925 25195 11697 1 18 . 1 1 79 79 LEU HA H 79 4.650 4.650 4.038 0.612 25195 11698 1 18 . 1 1 79 79 LEU C C 79 178.900 178.900 176.750 2.150 25195 11699 1 18 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.669 0.431 25195 11700 1 18 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.656 4.944 25195 11701 1 18 . 1 1 79 79 LEU H H 79 7.220 7.220 7.889 -0.669 25195 11702 1 18 . 1 1 80 80 ARG N N 80 124.000 124.000 123.906 0.094 25195 11703 1 18 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.143 0.077 25195 11704 1 18 . 1 1 80 80 ARG C C 80 174.800 174.800 176.993 -2.193 25195 11705 1 18 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.568 -0.368 25195 11706 1 18 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.763 -0.063 25195 11707 1 18 . 1 1 80 80 ARG H H 80 8.780 8.780 7.934 0.846 25195 11708 1 18 . 1 1 81 81 ALA N N 81 124.400 124.400 122.243 2.157 25195 11709 1 18 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.206 -1.716 25195 11710 1 18 . 1 1 81 81 ALA C C 81 177.600 177.600 178.631 -1.031 25195 11711 1 18 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.763 -2.063 25195 11712 1 18 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.968 -0.368 25195 11713 1 18 . 1 1 81 81 ALA H H 81 7.420 7.420 8.670 -1.250 25195 11714 1 18 . 1 1 82 82 LYS N N 82 114.500 114.500 117.015 -2.515 25195 11715 1 18 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.032 0.218 25195 11716 1 18 . 1 1 82 82 LYS C C 82 177.700 177.700 178.360 -0.660 25195 11717 1 18 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.178 -2.378 25195 11718 1 18 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.033 -0.633 25195 11719 1 18 . 1 1 82 82 LYS H H 82 8.190 8.190 8.437 -0.247 25195 11720 1 18 . 1 1 83 83 GLU N N 83 118.700 118.700 119.298 -0.598 25195 11721 1 18 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.385 -0.185 25195 11722 1 18 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.886 0.914 25195 11723 1 18 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.087 2.213 25195 11724 1 18 . 1 1 83 83 GLU H H 83 7.120 7.120 7.742 -0.623 25195 11725 1 18 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.907 0.303 25195 11726 1 18 . 1 1 84 84 ALA C C 84 180.900 180.900 179.101 1.799 25195 11727 1 18 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.783 -0.083 25195 11728 1 18 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.683 -0.883 25195 11729 1 18 . 1 1 85 85 ARG N N 85 115.800 115.800 118.657 -2.857 25195 11730 1 18 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.974 0.086 25195 11731 1 18 . 1 1 85 85 ARG C C 85 178.200 178.200 178.363 -0.163 25195 11732 1 18 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.684 -1.784 25195 11733 1 18 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.459 0.441 25195 11734 1 18 . 1 1 85 85 ARG H H 85 9.280 9.280 8.224 1.056 25195 11735 1 18 . 1 1 86 86 TYR N N 86 118.300 118.300 120.017 -1.717 25195 11736 1 18 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.072 -0.232 25195 11737 1 18 . 1 1 86 86 TYR C C 86 176.500 176.500 176.844 -0.344 25195 11738 1 18 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.658 -0.459 25195 11739 1 18 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.752 0.448 25195 11740 1 18 . 1 1 86 86 TYR H H 86 7.270 7.270 8.794 -1.524 25195 11741 1 18 . 1 1 87 87 ALA N N 87 120.500 120.500 119.956 0.544 25195 11742 1 18 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.545 0.795 25195 11743 1 18 . 1 1 87 87 ALA C C 87 181.900 181.900 179.713 2.187 25195 11744 1 18 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.279 0.121 25195 11745 1 18 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.957 0.443 25195 11746 1 18 . 1 1 87 87 ALA H H 87 7.110 7.110 7.657 -0.547 25195 11747 1 18 . 1 1 88 88 GLU N N 88 119.500 119.500 118.622 0.878 25195 11748 1 18 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.039 -0.059 25195 11749 1 18 . 1 1 88 88 GLU C C 88 178.800 178.800 178.613 0.187 25195 11750 1 18 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.641 0.659 25195 11751 1 18 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.665 0.835 25195 11752 1 18 . 1 1 88 88 GLU H H 88 8.240 8.240 7.757 0.483 25195 11753 1 18 . 1 1 89 89 LEU N N 89 115.100 115.100 117.250 -2.150 25195 11754 1 18 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.243 0.037 25195 11755 1 18 . 1 1 89 89 LEU C C 89 176.900 176.900 177.322 -0.422 25195 11756 1 18 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.438 -0.938 25195 11757 1 18 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.381 0.419 25195 11758 1 18 . 1 1 89 89 LEU H H 89 7.430 7.430 7.931 -0.501 25195 11759 1 18 . 1 1 90 90 GLY N N 90 108.200 108.200 106.148 2.052 25195 11760 1 18 . 1 1 90 90 GLY C C 90 176.900 176.900 175.701 1.199 25195 11761 1 18 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.541 1.459 25195 11762 1 18 . 1 1 90 90 GLY H H 90 7.690 7.690 7.460 0.230 25195 11763 1 18 . 1 1 91 91 LEU N N 91 113.000 113.000 120.276 -7.276 25195 11764 1 18 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.035 -0.265 25195 11765 1 18 . 1 1 91 91 LEU CA C 91 55.700 55.700 56.696 -0.996 25195 11766 1 18 . 1 1 91 91 LEU CB C 91 39.300 39.300 40.734 -1.434 25195 11767 1 18 . 1 1 91 91 LEU H H 91 7.000 7.000 7.467 -0.467 25195 11768 1 18 . 1 1 92 92 ASP N N 92 117.000 117.000 116.629 0.371 25195 11769 1 18 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.537 -0.097 25195 11770 1 18 . 1 1 92 92 ASP C C 92 175.400 175.400 175.867 -0.467 25195 11771 1 18 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.053 -0.253 25195 11772 1 18 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.820 -0.120 25195 11773 1 18 . 1 1 92 92 ASP H H 92 8.510 8.510 7.843 0.667 25195 11774 1 18 . 1 1 93 93 ASP N N 93 120.600 120.600 120.731 -0.131 25195 11775 1 18 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.510 0.070 25195 11776 1 18 . 1 1 93 93 ASP C C 93 176.000 176.000 176.639 -0.639 25195 11777 1 18 . 1 1 93 93 ASP CA C 93 52.100 52.100 54.463 -2.363 25195 11778 1 18 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.960 0.540 25195 11779 1 18 . 1 1 93 93 ASP H H 93 7.000 7.000 7.511 -0.511 25195 11780 1 18 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.342 -0.042 25195 11781 1 18 . 1 1 94 94 PRO C C 94 178.100 178.100 176.236 1.864 25195 11782 1 18 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.359 -0.559 25195 11783 1 18 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.944 0.256 25195 11784 1 18 . 1 1 95 95 ALA N N 95 121.900 121.900 119.732 2.168 25195 11785 1 18 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.495 -0.225 25195 11786 1 18 . 1 1 95 95 ALA C C 95 178.400 178.400 177.148 1.252 25195 11787 1 18 . 1 1 95 95 ALA CA C 95 52.500 52.500 51.249 1.251 25195 11788 1 18 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.948 0.252 25195 11789 1 18 . 1 1 95 95 ALA H H 95 8.610 8.610 7.790 0.820 25195 11790 1 18 . 1 1 96 96 LEU N N 96 117.600 117.600 118.691 -1.091 25195 11791 1 18 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.292 -0.122 25195 11792 1 18 . 1 1 96 96 LEU C C 96 177.600 177.600 176.300 1.300 25195 11793 1 18 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.142 0.358 25195 11794 1 18 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.050 0.350 25195 11795 1 18 . 1 1 96 96 LEU H H 96 7.010 7.010 7.379 -0.369 25195 11796 1 18 . 1 1 97 97 SER N N 97 119.200 119.200 114.177 5.023 25195 11797 1 18 . 1 1 97 97 SER HA H 97 4.360 4.360 4.748 -0.388 25195 11798 1 18 . 1 1 97 97 SER C C 97 174.400 174.400 174.823 -0.423 25195 11799 1 18 . 1 1 97 97 SER CA C 97 57.300 57.300 57.708 -0.408 25195 11800 1 18 . 1 1 97 97 SER CB C 97 64.900 64.900 65.981 -1.081 25195 11801 1 18 . 1 1 97 97 SER H H 97 8.620 8.620 8.125 0.495 25195 11802 1 18 . 1 1 98 98 ASP N N 98 122.000 122.000 126.030 -4.030 25195 11803 1 18 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.310 -0.040 25195 11804 1 18 . 1 1 98 98 ASP C C 98 178.100 178.100 177.875 0.225 25195 11805 1 18 . 1 1 98 98 ASP CA C 98 57.800 57.800 58.130 -0.330 25195 11806 1 18 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.855 -0.756 25195 11807 1 18 . 1 1 98 98 ASP H H 98 9.050 9.050 9.025 0.025 25195 11808 1 18 . 1 1 99 99 GLU N N 99 116.100 116.100 120.381 -4.281 25195 11809 1 18 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.140 -0.350 25195 11810 1 18 . 1 1 99 99 GLU C C 99 176.800 176.800 178.818 -2.018 25195 11811 1 18 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.529 0.371 25195 11812 1 18 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.471 -0.271 25195 11813 1 18 . 1 1 99 99 GLU H H 99 8.250 8.250 8.446 -0.196 25195 11814 1 18 . 1 1 100 100 VAL N N 100 118.000 118.000 117.521 0.479 25195 11815 1 18 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.774 0.036 25195 11816 1 18 . 1 1 100 100 VAL C C 100 179.200 179.200 177.843 1.357 25195 11817 1 18 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.459 0.141 25195 11818 1 18 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.218 0.182 25195 11819 1 18 . 1 1 100 100 VAL H H 100 7.290 7.290 7.985 -0.695 25195 11820 1 18 . 1 1 101 101 LEU N N 101 120.100 120.100 120.430 -0.330 25195 11821 1 18 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.027 -0.077 25195 11822 1 18 . 1 1 101 101 LEU CA C 101 58.100 58.100 57.996 0.104 25195 11823 1 18 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.912 0.588 25195 11824 1 18 . 1 1 101 101 LEU H H 101 7.610 7.610 7.904 -0.294 25195 11825 1 18 . 1 1 102 102 ILE N N 102 118.900 118.900 119.755 -0.855 25195 11826 1 18 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.555 -0.135 25195 11827 1 18 . 1 1 102 102 ILE C C 102 177.700 177.700 177.802 -0.102 25195 11828 1 18 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.242 0.159 25195 11829 1 18 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.678 0.822 25195 11830 1 18 . 1 1 102 102 ILE H H 102 8.260 8.260 8.216 0.044 25195 11831 1 18 . 1 1 103 103 ASP N N 103 118.000 118.000 120.051 -2.051 25195 11832 1 18 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.233 0.087 25195 11833 1 18 . 1 1 103 103 ASP C C 103 179.400 179.400 178.534 0.866 25195 11834 1 18 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.893 -0.093 25195 11835 1 18 . 1 1 103 103 ASP CB C 103 40.100 40.100 41.002 -0.902 25195 11836 1 18 . 1 1 103 103 ASP H H 103 8.080 8.080 8.332 -0.252 25195 11837 1 18 . 1 1 104 104 ALA N N 104 121.500 121.500 122.007 -0.507 25195 11838 1 18 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.134 -0.064 25195 11839 1 18 . 1 1 104 104 ALA C C 104 179.900 179.900 179.630 0.270 25195 11840 1 18 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.816 0.584 25195 11841 1 18 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.408 -0.708 25195 11842 1 18 . 1 1 104 104 ALA H H 104 8.210 8.210 8.031 0.179 25195 11843 1 18 . 1 1 105 105 MET N N 105 115.800 115.800 119.201 -3.401 25195 11844 1 18 . 1 1 105 105 MET HA H 105 3.940 3.940 4.127 -0.187 25195 11845 1 18 . 1 1 105 105 MET C C 105 176.700 176.700 178.420 -1.720 25195 11846 1 18 . 1 1 105 105 MET CA C 105 59.500 59.500 58.934 0.566 25195 11847 1 18 . 1 1 105 105 MET CB C 105 35.400 35.400 32.965 2.435 25195 11848 1 18 . 1 1 105 105 MET H H 105 7.520 7.520 7.729 -0.209 25195 11849 1 18 . 1 1 106 106 ILE N N 106 118.100 118.100 115.892 2.208 25195 11850 1 18 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.862 0.158 25195 11851 1 18 . 1 1 106 106 ILE C C 106 178.200 178.200 177.781 0.419 25195 11852 1 18 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.344 -1.344 25195 11853 1 18 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.605 0.095 25195 11854 1 18 . 1 1 106 106 ILE H H 106 7.730 7.730 8.601 -0.871 25195 11855 1 18 . 1 1 107 107 SER N N 107 112.400 112.400 113.321 -0.921 25195 11856 1 18 . 1 1 107 107 SER HA H 107 4.340 4.340 4.391 -0.051 25195 11857 1 18 . 1 1 107 107 SER C C 107 174.800 174.800 174.908 -0.108 25195 11858 1 18 . 1 1 107 107 SER CA C 107 60.400 60.400 59.371 1.029 25195 11859 1 18 . 1 1 107 107 SER CB C 107 64.000 64.000 64.550 -0.550 25195 11860 1 18 . 1 1 107 107 SER H H 107 8.160 8.160 7.605 0.555 25195 11861 1 18 . 1 1 108 108 ASN N N 108 116.400 116.400 119.976 -3.576 25195 11862 1 18 . 1 1 108 108 ASN HA H 108 5.290 5.290 5.075 0.215 25195 11863 1 18 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.017 -0.917 25195 11864 1 18 . 1 1 108 108 ASN CB C 108 40.200 40.200 39.050 1.150 25195 11865 1 18 . 1 1 108 108 ASN H H 108 7.700 7.700 7.879 -0.179 25195 11866 1 18 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.391 0.379 25195 11867 1 18 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.008 0.792 25195 11868 1 18 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.619 0.581 25195 11869 1 18 . 1 1 110 110 VAL N N 110 119.100 119.100 113.596 5.504 25195 11870 1 18 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.935 0.115 25195 11871 1 18 . 1 1 110 110 VAL C C 110 175.200 175.200 176.475 -1.275 25195 11872 1 18 . 1 1 110 110 VAL CA C 110 64.600 64.600 64.279 0.321 25195 11873 1 18 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.906 0.294 25195 11874 1 18 . 1 1 110 110 VAL H H 110 8.280 8.280 7.579 0.701 25195 11875 1 18 . 1 1 111 111 LEU N N 111 115.200 115.200 114.251 0.949 25195 11876 1 18 . 1 1 111 111 LEU CA C 111 55.400 55.400 54.767 0.633 25195 11877 1 18 . 1 1 111 111 LEU CB C 111 44.200 44.200 42.289 1.911 25195 11878 1 18 . 1 1 111 111 LEU H H 111 8.420 8.420 7.294 1.126 25195 11879 1 18 . 1 1 112 112 MET N N 112 118.900 118.900 118.200 0.700 25195 11880 1 18 . 1 1 112 112 MET HA H 112 4.060 4.060 4.232 -0.172 25195 11881 1 18 . 1 1 112 112 MET CA C 112 56.500 56.500 56.739 -0.239 25195 11882 1 18 . 1 1 112 112 MET CB C 112 35.600 35.600 31.441 4.159 25195 11883 1 18 . 1 1 112 112 MET H H 112 7.940 7.940 7.709 0.231 25195 11884 1 18 . 1 1 113 113 ASN N N 113 125.800 125.800 120.278 5.522 25195 11885 1 18 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.673 -0.033 25195 11886 1 18 . 1 1 113 113 ASN C C 113 170.700 170.700 176.118 -5.418 25195 11887 1 18 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.045 -0.845 25195 11888 1 18 . 1 1 113 113 ASN CB C 113 36.900 36.900 39.094 -2.194 25195 11889 1 18 . 1 1 113 113 ASN H H 113 9.140 9.140 8.316 0.824 25195 11890 1 18 . 1 1 114 114 ARG N N 114 113.200 113.200 120.700 -7.500 25195 11891 1 18 . 1 1 114 114 ARG CA C 114 53.800 53.800 59.056 -5.256 25195 11892 1 18 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.822 1.978 25195 11893 1 18 . 1 1 114 114 ARG H H 114 7.970 7.970 8.286 -0.316 25195 11894 1 18 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.323 0.497 25195 11895 1 18 . 1 1 115 115 PRO C C 115 175.400 175.400 175.895 -0.495 25195 11896 1 18 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.535 0.065 25195 11897 1 18 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.769 2.631 25195 11898 1 18 . 1 1 116 116 VAL N N 116 124.500 124.500 125.662 -1.162 25195 11899 1 18 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.423 0.657 25195 11900 1 18 . 1 1 116 116 VAL C C 116 174.500 174.500 174.002 0.498 25195 11901 1 18 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.292 1.208 25195 11902 1 18 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.778 -2.778 25195 11903 1 18 . 1 1 116 116 VAL H H 116 7.840 7.840 8.840 -1.000 25195 11904 1 18 . 1 1 117 117 VAL N N 117 128.000 128.000 126.935 1.065 25195 11905 1 18 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.804 -0.024 25195 11906 1 18 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.659 1.341 25195 11907 1 18 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.765 0.035 25195 11908 1 18 . 1 1 117 117 VAL H H 117 8.670 8.670 9.166 -0.496 25195 11909 1 18 . 1 1 118 118 VAL N N 118 125.700 125.700 129.156 -3.456 25195 11910 1 18 . 1 1 118 118 VAL C C 118 175.700 175.700 174.721 0.979 25195 11911 1 18 . 1 1 118 118 VAL CA C 118 61.200 61.200 60.519 0.681 25195 11912 1 18 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.201 2.799 25195 11913 1 18 . 1 1 118 118 VAL H H 118 9.110 9.110 9.241 -0.131 25195 11914 1 18 . 1 1 119 119 THR N N 119 118.500 118.500 118.713 -0.213 25195 11915 1 18 . 1 1 119 119 THR HA H 119 5.490 5.490 5.075 0.415 25195 11916 1 18 . 1 1 119 119 THR CA C 119 58.800 58.800 58.037 0.763 25195 11917 1 18 . 1 1 119 119 THR CB C 119 69.800 69.800 70.624 -0.824 25195 11918 1 18 . 1 1 119 119 THR H H 119 9.370 9.370 8.814 0.556 25195 11919 1 18 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.436 0.044 25195 11920 1 18 . 1 1 120 120 PRO C C 120 177.800 177.800 176.836 0.964 25195 11921 1 18 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.548 0.552 25195 11922 1 18 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.698 0.602 25195 11923 1 18 . 1 1 121 121 LYS N N 121 113.600 113.600 116.900 -3.300 25195 11924 1 18 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.498 -0.238 25195 11925 1 18 . 1 1 121 121 LYS C C 121 176.400 176.400 176.188 0.212 25195 11926 1 18 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.795 1.405 25195 11927 1 18 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.803 -0.003 25195 11928 1 18 . 1 1 121 121 LYS H H 121 8.360 8.360 8.041 0.319 25195 11929 1 18 . 1 1 122 122 GLY N N 122 108.400 108.400 108.236 0.164 25195 11930 1 18 . 1 1 122 122 GLY C C 122 169.500 169.500 171.631 -2.131 25195 11931 1 18 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.109 -0.009 25195 11932 1 18 . 1 1 122 122 GLY H H 122 7.900 7.900 7.504 0.396 25195 11933 1 18 . 1 1 123 123 VAL N N 123 117.100 117.100 116.024 1.076 25195 11934 1 18 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.230 0.230 25195 11935 1 18 . 1 1 123 123 VAL C C 123 176.100 176.100 174.924 1.176 25195 11936 1 18 . 1 1 123 123 VAL CA C 123 60.000 60.000 59.393 0.607 25195 11937 1 18 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.084 -0.284 25195 11938 1 18 . 1 1 123 123 VAL H H 123 8.080 8.080 8.389 -0.309 25195 11939 1 18 . 1 1 124 124 ARG N N 124 122.300 122.300 123.247 -0.947 25195 11940 1 18 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.613 0.047 25195 11941 1 18 . 1 1 124 124 ARG C C 124 174.800 174.800 174.138 0.662 25195 11942 1 18 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.145 0.256 25195 11943 1 18 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.559 1.341 25195 11944 1 18 . 1 1 124 124 ARG H H 124 8.510 8.510 8.859 -0.349 25195 11945 1 18 . 1 1 125 125 LEU N N 125 125.500 125.500 121.866 3.634 25195 11946 1 18 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.419 0.181 25195 11947 1 18 . 1 1 125 125 LEU C C 125 176.500 176.500 178.390 -1.890 25195 11948 1 18 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.382 -0.682 25195 11949 1 18 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.499 -1.599 25195 11950 1 18 . 1 1 125 125 LEU H H 125 8.860 8.860 8.673 0.187 25195 11951 1 18 . 1 1 126 126 CYS N N 126 129.700 129.700 123.533 6.167 25195 11952 1 18 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.168 0.322 25195 11953 1 18 . 1 1 126 126 CYS C C 126 172.000 172.000 174.687 -2.687 25195 11954 1 18 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.824 0.076 25195 11955 1 18 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.641 -0.341 25195 11956 1 18 . 1 1 126 126 CYS H H 126 8.540 8.540 8.547 -0.007 25195 11957 1 18 . 1 1 127 127 ARG N N 127 117.500 117.500 118.867 -1.367 25195 11958 1 18 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.665 -0.475 25195 11959 1 18 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.361 -0.161 25195 11960 1 18 . 1 1 127 127 ARG CB C 127 33.400 33.400 32.458 0.942 25195 11961 1 18 . 1 1 127 127 ARG H H 127 6.930 6.930 7.101 -0.171 25195 11962 1 18 . 1 1 128 128 PRO C C 128 177.100 177.100 176.975 0.125 25195 11963 1 18 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.536 0.664 25195 11964 1 18 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.573 2.727 25195 11965 1 18 . 1 1 129 129 ALA N N 129 124.000 124.000 120.427 3.573 25195 11966 1 18 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.058 -0.208 25195 11967 1 18 . 1 1 129 129 ALA C C 129 177.700 177.700 179.710 -2.010 25195 11968 1 18 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.649 0.551 25195 11969 1 18 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.922 0.979 25195 11970 1 18 . 1 1 129 129 ALA H H 129 9.320 9.320 8.499 0.821 25195 11971 1 18 . 1 1 130 130 GLU N N 130 111.600 111.600 116.751 -5.151 25195 11972 1 18 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.052 -0.212 25195 11973 1 18 . 1 1 130 130 GLU C C 130 178.200 178.200 177.782 0.418 25195 11974 1 18 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.506 0.994 25195 11975 1 18 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.580 -1.480 25195 11976 1 18 . 1 1 130 130 GLU H H 130 9.490 9.490 8.563 0.927 25195 11977 1 18 . 1 1 131 131 THR N N 131 116.100 116.100 114.072 2.028 25195 11978 1 18 . 1 1 131 131 THR HA H 131 4.040 4.040 4.110 -0.070 25195 11979 1 18 . 1 1 131 131 THR C C 131 175.800 175.800 176.371 -0.571 25195 11980 1 18 . 1 1 131 131 THR CA C 131 65.600 65.600 65.379 0.221 25195 11981 1 18 . 1 1 131 131 THR CB C 131 69.800 69.800 68.535 1.265 25195 11982 1 18 . 1 1 131 131 THR H H 131 7.940 7.940 7.770 0.170 25195 11983 1 18 . 1 1 132 132 VAL N N 132 119.200 119.200 122.162 -2.962 25195 11984 1 18 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.727 0.153 25195 11985 1 18 . 1 1 132 132 VAL C C 132 176.500 176.500 177.057 -0.557 25195 11986 1 18 . 1 1 132 132 VAL CA C 132 64.100 64.100 66.413 -2.313 25195 11987 1 18 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.875 0.525 25195 11988 1 18 . 1 1 132 132 VAL H H 132 8.130 8.130 7.674 0.456 25195 11989 1 18 . 1 1 133 133 GLN N N 133 118.500 118.500 118.492 0.008 25195 11990 1 18 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.104 -0.254 25195 11991 1 18 . 1 1 133 133 GLN C C 133 178.500 178.500 177.533 0.967 25195 11992 1 18 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.548 0.252 25195 11993 1 18 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.258 -0.258 25195 11994 1 18 . 1 1 133 133 GLN H H 133 7.690 7.690 8.133 -0.443 25195 11995 1 18 . 1 1 134 134 GLU N N 134 115.200 115.200 119.349 -4.149 25195 11996 1 18 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.209 -0.069 25195 11997 1 18 . 1 1 134 134 GLU C C 134 177.000 177.000 178.010 -1.010 25195 11998 1 18 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.535 0.265 25195 11999 1 18 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.019 -0.119 25195 12000 1 18 . 1 1 134 134 GLU H H 134 7.620 7.620 7.802 -0.182 25195 12001 1 18 . 1 1 135 135 LEU N N 135 115.600 115.600 120.001 -4.401 25195 12002 1 18 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.255 -0.035 25195 12003 1 18 . 1 1 135 135 LEU C C 135 176.100 176.100 177.393 -1.293 25195 12004 1 18 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.315 -2.515 25195 12005 1 18 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.875 0.425 25195 12006 1 18 . 1 1 135 135 LEU H H 135 7.740 7.740 7.705 0.035 25195 12007 1 19 . 1 1 9 9 MET C C 9 176.700 176.700 174.709 1.991 25195 12008 1 19 . 1 1 9 9 MET CA C 9 55.600 55.600 54.878 0.722 25195 12009 1 19 . 1 1 9 9 MET CB C 9 32.700 32.700 36.593 -3.893 25195 12010 1 19 . 1 1 10 10 GLY N N 10 109.800 109.800 109.937 -0.137 25195 12011 1 19 . 1 1 10 10 GLY C C 10 174.400 174.400 172.827 1.573 25195 12012 1 19 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.686 0.614 25195 12013 1 19 . 1 1 10 10 GLY H H 10 8.480 8.480 9.114 -0.634 25195 12014 1 19 . 1 1 11 11 THR N N 11 113.500 113.500 114.540 -1.040 25195 12015 1 19 . 1 1 11 11 THR HA H 11 4.330 4.330 4.961 -0.631 25195 12016 1 19 . 1 1 11 11 THR CA C 11 62.100 62.100 61.234 0.866 25195 12017 1 19 . 1 1 11 11 THR CB C 11 69.900 69.900 69.805 0.095 25195 12018 1 19 . 1 1 11 11 THR H H 11 8.080 8.080 8.883 -0.803 25195 12019 1 19 . 1 1 12 12 LEU N N 12 123.900 123.900 121.097 2.803 25195 12020 1 19 . 1 1 12 12 LEU HA H 12 4.310 4.310 5.205 -0.895 25195 12021 1 19 . 1 1 12 12 LEU C C 12 177.700 177.700 174.764 2.936 25195 12022 1 19 . 1 1 12 12 LEU CA C 12 55.800 55.800 53.985 1.815 25195 12023 1 19 . 1 1 12 12 LEU CB C 12 42.200 42.200 43.883 -1.683 25195 12024 1 19 . 1 1 12 12 LEU H H 12 8.390 8.390 8.883 -0.493 25195 12025 1 19 . 1 1 13 13 GLU N N 13 121.300 121.300 119.310 1.990 25195 12026 1 19 . 1 1 13 13 GLU HA H 13 4.200 4.200 5.241 -1.041 25195 12027 1 19 . 1 1 13 13 GLU C C 13 176.500 176.500 174.611 1.889 25195 12028 1 19 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.994 1.106 25195 12029 1 19 . 1 1 13 13 GLU CB C 13 29.900 29.900 30.966 -1.066 25195 12030 1 19 . 1 1 13 13 GLU H H 13 8.430 8.430 9.195 -0.765 25195 12031 1 19 . 1 1 14 14 ALA N N 14 124.100 124.100 122.341 1.759 25195 12032 1 19 . 1 1 14 14 ALA HA H 14 4.270 4.270 5.229 -0.959 25195 12033 1 19 . 1 1 14 14 ALA C C 14 177.900 177.900 175.731 2.169 25195 12034 1 19 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.579 1.221 25195 12035 1 19 . 1 1 14 14 ALA CB C 14 19.200 19.200 21.444 -2.244 25195 12036 1 19 . 1 1 14 14 ALA H H 14 8.270 8.270 8.500 -0.230 25195 12037 1 19 . 1 1 15 15 GLN N N 15 118.900 118.900 118.082 0.818 25195 12038 1 19 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.714 -0.474 25195 12039 1 19 . 1 1 15 15 GLN C C 15 176.500 176.500 174.095 2.405 25195 12040 1 19 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.703 0.097 25195 12041 1 19 . 1 1 15 15 GLN CB C 15 29.400 29.400 31.190 -1.790 25195 12042 1 19 . 1 1 15 15 GLN H H 15 8.360 8.360 9.178 -0.818 25195 12043 1 19 . 1 1 16 16 THR N N 16 114.900 114.900 113.674 1.226 25195 12044 1 19 . 1 1 16 16 THR HA H 16 4.360 4.360 4.827 -0.467 25195 12045 1 19 . 1 1 16 16 THR C C 16 174.600 174.600 173.749 0.851 25195 12046 1 19 . 1 1 16 16 THR CA C 16 61.900 61.900 61.378 0.522 25195 12047 1 19 . 1 1 16 16 THR CB C 16 69.800 69.800 69.964 -0.164 25195 12048 1 19 . 1 1 16 16 THR H H 16 8.190 8.190 8.204 -0.014 25195 12049 1 19 . 1 1 17 17 GLN N N 17 122.100 122.100 118.388 3.712 25195 12050 1 19 . 1 1 17 17 GLN C C 17 176.100 176.100 174.665 1.435 25195 12051 1 19 . 1 1 17 17 GLN CA C 17 55.700 55.700 54.848 0.852 25195 12052 1 19 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.889 -0.189 25195 12053 1 19 . 1 1 17 17 GLN H H 17 8.440 8.440 8.373 0.067 25195 12054 1 19 . 1 1 18 18 GLY N N 18 110.100 110.100 107.891 2.209 25195 12055 1 19 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.078 0.622 25195 12056 1 19 . 1 1 18 18 GLY H H 18 8.370 8.370 8.360 0.010 25195 12057 1 19 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.440 0.000 25195 12058 1 19 . 1 1 19 19 PRO C C 19 177.700 177.700 177.015 0.685 25195 12059 1 19 . 1 1 19 19 PRO CA C 19 63.700 63.700 63.481 0.219 25195 12060 1 19 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.659 -0.259 25195 12061 1 19 . 1 1 20 20 GLY N N 20 109.200 109.200 108.791 0.409 25195 12062 1 19 . 1 1 20 20 GLY C C 20 174.400 174.400 173.865 0.535 25195 12063 1 19 . 1 1 20 20 GLY CA C 20 45.400 45.400 45.086 0.314 25195 12064 1 19 . 1 1 20 20 GLY H H 20 8.620 8.620 8.064 0.556 25195 12065 1 19 . 1 1 21 21 SER N N 21 115.000 115.000 118.225 -3.225 25195 12066 1 19 . 1 1 21 21 SER HA H 21 4.420 4.420 4.607 -0.187 25195 12067 1 19 . 1 1 21 21 SER C C 21 174.600 174.600 174.638 -0.038 25195 12068 1 19 . 1 1 21 21 SER CA C 21 58.600 58.600 58.042 0.558 25195 12069 1 19 . 1 1 21 21 SER CB C 21 64.100 64.100 63.004 1.096 25195 12070 1 19 . 1 1 21 21 SER H H 21 8.180 8.180 8.554 -0.374 25195 12071 1 19 . 1 1 22 22 MET N N 22 121.500 121.500 119.815 1.685 25195 12072 1 19 . 1 1 22 22 MET HA H 22 4.440 4.440 4.740 -0.300 25195 12073 1 19 . 1 1 22 22 MET C C 22 175.100 175.100 175.294 -0.194 25195 12074 1 19 . 1 1 22 22 MET CA C 22 55.600 55.600 55.019 0.581 25195 12075 1 19 . 1 1 22 22 MET CB C 22 33.600 33.600 32.414 1.186 25195 12076 1 19 . 1 1 22 22 MET H H 22 8.340 8.340 7.946 0.394 25195 12077 1 19 . 1 1 23 23 ASP N N 23 123.000 123.000 123.290 -0.290 25195 12078 1 19 . 1 1 23 23 ASP HA H 23 4.610 4.610 5.005 -0.395 25195 12079 1 19 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.785 1.015 25195 12080 1 19 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.672 0.028 25195 12081 1 19 . 1 1 23 23 ASP H H 23 8.170 8.170 8.667 -0.497 25195 12082 1 19 . 1 1 24 24 VAL N N 24 123.200 123.200 119.871 3.329 25195 12083 1 19 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.831 0.209 25195 12084 1 19 . 1 1 24 24 VAL C C 24 174.900 174.900 174.794 0.106 25195 12085 1 19 . 1 1 24 24 VAL CA C 24 60.900 60.900 61.096 -0.196 25195 12086 1 19 . 1 1 24 24 VAL CB C 24 35.100 35.100 35.061 0.039 25195 12087 1 19 . 1 1 24 24 VAL H H 24 8.210 8.210 8.023 0.187 25195 12088 1 19 . 1 1 25 25 THR N N 25 124.200 124.200 121.988 2.212 25195 12089 1 19 . 1 1 25 25 THR HA H 25 5.310 5.310 4.899 0.411 25195 12090 1 19 . 1 1 25 25 THR C C 25 172.300 172.300 173.247 -0.947 25195 12091 1 19 . 1 1 25 25 THR CA C 25 61.800 61.800 61.359 0.441 25195 12092 1 19 . 1 1 25 25 THR CB C 25 71.600 71.600 70.776 0.824 25195 12093 1 19 . 1 1 25 25 THR H H 25 9.170 9.170 8.832 0.338 25195 12094 1 19 . 1 1 26 26 ILE N N 26 122.500 122.500 122.771 -0.271 25195 12095 1 19 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.966 0.304 25195 12096 1 19 . 1 1 26 26 ILE C C 26 172.200 172.200 174.199 -1.999 25195 12097 1 19 . 1 1 26 26 ILE CA C 26 57.700 57.700 57.847 -0.147 25195 12098 1 19 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.613 1.687 25195 12099 1 19 . 1 1 26 26 ILE H H 26 8.910 8.910 8.770 0.140 25195 12100 1 19 . 1 1 27 27 TYR N N 27 129.400 129.400 122.402 6.998 25195 12101 1 19 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.660 -0.480 25195 12102 1 19 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.456 2.045 25195 12103 1 19 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.987 -2.887 25195 12104 1 19 . 1 1 27 27 TYR H H 27 9.090 9.090 9.119 -0.029 25195 12105 1 19 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.905 2.795 25195 12106 1 19 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.254 0.596 25195 12107 1 19 . 1 1 30 30 PRO C C 30 177.000 177.000 175.616 1.384 25195 12108 1 19 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.104 1.096 25195 12109 1 19 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.177 2.523 25195 12110 1 19 . 1 1 31 31 VAL N N 31 112.100 112.100 123.676 -11.576 25195 12111 1 19 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.425 -0.265 25195 12112 1 19 . 1 1 31 31 VAL C C 31 175.000 175.000 175.190 -0.190 25195 12113 1 19 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.089 1.911 25195 12114 1 19 . 1 1 31 31 VAL CB C 31 31.500 31.500 34.078 -2.578 25195 12115 1 19 . 1 1 31 31 VAL H H 31 7.290 7.290 8.357 -1.067 25195 12116 1 19 . 1 1 32 32 CYS N N 32 126.100 126.100 126.501 -0.401 25195 12117 1 19 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.322 0.038 25195 12118 1 19 . 1 1 32 32 CYS CA C 32 59.300 59.300 59.880 -0.581 25195 12119 1 19 . 1 1 32 32 CYS CB C 32 31.200 31.200 27.563 3.637 25195 12120 1 19 . 1 1 32 32 CYS H H 32 7.780 7.780 9.020 -1.240 25195 12121 1 19 . 1 1 33 33 GLY C C 33 177.400 177.400 176.194 1.206 25195 12122 1 19 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.730 0.970 25195 12123 1 19 . 1 1 34 34 THR N N 34 123.700 123.700 120.587 3.113 25195 12124 1 19 . 1 1 34 34 THR HA H 34 4.250 4.250 3.980 0.270 25195 12125 1 19 . 1 1 34 34 THR C C 34 175.600 175.600 176.166 -0.566 25195 12126 1 19 . 1 1 34 34 THR CA C 34 67.600 67.600 66.914 0.686 25195 12127 1 19 . 1 1 34 34 THR CB C 34 68.700 68.700 68.556 0.143 25195 12128 1 19 . 1 1 34 34 THR H H 34 9.110 9.110 8.069 1.041 25195 12129 1 19 . 1 1 35 35 SER N N 35 123.600 123.600 116.825 6.775 25195 12130 1 19 . 1 1 35 35 SER C C 35 177.900 177.900 176.632 1.268 25195 12131 1 19 . 1 1 35 35 SER CA C 35 63.800 63.800 62.104 1.696 25195 12132 1 19 . 1 1 35 35 SER CB C 35 63.800 63.800 63.221 0.579 25195 12133 1 19 . 1 1 35 35 SER H H 35 9.530 9.530 8.391 1.139 25195 12134 1 19 . 1 1 36 36 ARG N N 36 113.400 113.400 119.751 -6.351 25195 12135 1 19 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.154 -0.154 25195 12136 1 19 . 1 1 36 36 ARG C C 36 179.200 179.200 178.510 0.690 25195 12137 1 19 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.569 2.731 25195 12138 1 19 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.857 1.443 25195 12139 1 19 . 1 1 36 36 ARG H H 36 8.740 8.740 8.452 0.288 25195 12140 1 19 . 1 1 37 37 LYS N N 37 121.900 121.900 121.069 0.831 25195 12141 1 19 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.151 -0.011 25195 12142 1 19 . 1 1 37 37 LYS C C 37 179.400 179.400 178.891 0.509 25195 12143 1 19 . 1 1 37 37 LYS CA C 37 59.700 59.700 58.841 0.859 25195 12144 1 19 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.097 0.503 25195 12145 1 19 . 1 1 37 37 LYS H H 37 7.980 7.980 7.954 0.026 25195 12146 1 19 . 1 1 38 38 VAL N N 38 120.900 120.900 116.899 4.001 25195 12147 1 19 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.676 -0.056 25195 12148 1 19 . 1 1 38 38 VAL C C 38 177.300 177.300 177.583 -0.283 25195 12149 1 19 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.574 0.726 25195 12150 1 19 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.162 0.738 25195 12151 1 19 . 1 1 38 38 VAL H H 38 8.670 8.670 8.353 0.317 25195 12152 1 19 . 1 1 39 39 LEU N N 39 120.200 120.200 119.853 0.347 25195 12153 1 19 . 1 1 39 39 LEU C C 39 178.300 178.300 179.425 -1.125 25195 12154 1 19 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.390 1.210 25195 12155 1 19 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.084 0.515 25195 12156 1 19 . 1 1 39 39 LEU H H 39 8.300 8.300 8.393 -0.093 25195 12157 1 19 . 1 1 40 40 GLY N N 40 103.600 103.600 107.991 -4.391 25195 12158 1 19 . 1 1 40 40 GLY C C 40 176.600 176.600 176.322 0.278 25195 12159 1 19 . 1 1 40 40 GLY CA C 40 47.400 47.400 46.929 0.471 25195 12160 1 19 . 1 1 40 40 GLY H H 40 8.050 8.050 7.800 0.250 25195 12161 1 19 . 1 1 41 41 MET N N 41 122.300 122.300 121.848 0.452 25195 12162 1 19 . 1 1 41 41 MET HA H 41 4.030 4.030 4.213 -0.183 25195 12163 1 19 . 1 1 41 41 MET C C 41 179.200 179.200 179.164 0.036 25195 12164 1 19 . 1 1 41 41 MET CA C 41 59.900 59.900 58.375 1.525 25195 12165 1 19 . 1 1 41 41 MET CB C 41 33.600 33.600 32.204 1.396 25195 12166 1 19 . 1 1 41 41 MET H H 41 8.310 8.310 7.937 0.373 25195 12167 1 19 . 1 1 42 42 ILE N N 42 120.600 120.600 119.398 1.202 25195 12168 1 19 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.592 -0.052 25195 12169 1 19 . 1 1 42 42 ILE C C 42 177.600 177.600 177.632 -0.032 25195 12170 1 19 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.372 0.828 25195 12171 1 19 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.440 1.660 25195 12172 1 19 . 1 1 42 42 ILE H H 42 8.260 8.260 8.285 -0.025 25195 12173 1 19 . 1 1 43 43 ARG N N 43 117.200 117.200 119.577 -2.377 25195 12174 1 19 . 1 1 43 43 ARG C C 43 182.100 182.100 178.513 3.587 25195 12175 1 19 . 1 1 43 43 ARG CA C 43 59.100 59.100 58.897 0.203 25195 12176 1 19 . 1 1 43 43 ARG CB C 43 29.400 29.400 29.702 -0.302 25195 12177 1 19 . 1 1 43 43 ARG H H 43 7.810 7.810 7.976 -0.166 25195 12178 1 19 . 1 1 44 44 GLU N N 44 122.200 122.200 119.836 2.364 25195 12179 1 19 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.150 -0.100 25195 12180 1 19 . 1 1 44 44 GLU C C 44 177.600 177.600 178.171 -0.571 25195 12181 1 19 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.313 0.787 25195 12182 1 19 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.548 -0.048 25195 12183 1 19 . 1 1 44 44 GLU H H 44 8.670 8.670 8.074 0.596 25195 12184 1 19 . 1 1 45 45 ALA N N 45 120.400 120.400 120.824 -0.424 25195 12185 1 19 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.150 0.270 25195 12186 1 19 . 1 1 45 45 ALA C C 45 177.300 177.300 177.978 -0.678 25195 12187 1 19 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.718 -0.218 25195 12188 1 19 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.573 -1.173 25195 12189 1 19 . 1 1 45 45 ALA H H 45 7.430 7.430 7.799 -0.369 25195 12190 1 19 . 1 1 46 46 GLY N N 46 106.000 106.000 106.457 -0.457 25195 12191 1 19 . 1 1 46 46 GLY C C 46 173.800 173.800 173.945 -0.145 25195 12192 1 19 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.643 0.657 25195 12193 1 19 . 1 1 46 46 GLY H H 46 8.080 8.080 7.713 0.367 25195 12194 1 19 . 1 1 47 47 ILE N N 47 121.500 121.500 120.037 1.463 25195 12195 1 19 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.476 -0.376 25195 12196 1 19 . 1 1 47 47 ILE C C 47 174.100 174.100 174.182 -0.082 25195 12197 1 19 . 1 1 47 47 ILE CA C 47 59.700 59.700 58.684 1.016 25195 12198 1 19 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.382 0.718 25195 12199 1 19 . 1 1 47 47 ILE H H 47 7.180 7.180 7.637 -0.457 25195 12200 1 19 . 1 1 48 48 GLU N N 48 127.000 127.000 126.005 0.995 25195 12201 1 19 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.637 0.563 25195 12202 1 19 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.001 -0.701 25195 12203 1 19 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.685 -1.285 25195 12204 1 19 . 1 1 48 48 GLU H H 48 8.440 8.440 8.724 -0.284 25195 12205 1 19 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.722 -0.082 25195 12206 1 19 . 1 1 49 49 PRO C C 49 175.200 175.200 176.283 -1.083 25195 12207 1 19 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.384 -0.484 25195 12208 1 19 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.663 0.037 25195 12209 1 19 . 1 1 50 50 HIS N N 50 119.000 119.000 118.603 0.397 25195 12210 1 19 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.704 -0.004 25195 12211 1 19 . 1 1 50 50 HIS C C 50 174.200 174.200 174.740 -0.540 25195 12212 1 19 . 1 1 50 50 HIS CA C 50 55.400 55.400 55.274 0.126 25195 12213 1 19 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.331 -2.231 25195 12214 1 19 . 1 1 50 50 HIS H H 50 9.160 9.160 8.308 0.852 25195 12215 1 19 . 1 1 51 51 VAL N N 51 128.400 128.400 127.468 0.932 25195 12216 1 19 . 1 1 51 51 VAL HA H 51 4.240 4.240 3.969 0.271 25195 12217 1 19 . 1 1 51 51 VAL C C 51 175.600 175.600 175.286 0.314 25195 12218 1 19 . 1 1 51 51 VAL CA C 51 62.200 62.200 63.167 -0.967 25195 12219 1 19 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.462 0.738 25195 12220 1 19 . 1 1 51 51 VAL H H 51 8.760 8.760 8.712 0.048 25195 12221 1 19 . 1 1 52 52 ILE N N 52 129.400 129.400 129.586 -0.186 25195 12222 1 19 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.393 -0.173 25195 12223 1 19 . 1 1 52 52 ILE C C 52 176.500 176.500 175.272 1.228 25195 12224 1 19 . 1 1 52 52 ILE CA C 52 60.300 60.300 59.984 0.315 25195 12225 1 19 . 1 1 52 52 ILE CB C 52 38.200 38.200 40.835 -2.635 25195 12226 1 19 . 1 1 52 52 ILE H H 52 9.000 9.000 8.646 0.354 25195 12227 1 19 . 1 1 53 53 GLU N N 53 129.900 129.900 127.672 2.228 25195 12228 1 19 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.348 0.782 25195 12229 1 19 . 1 1 53 53 GLU C C 53 174.200 174.200 175.519 -1.319 25195 12230 1 19 . 1 1 53 53 GLU CA C 53 55.900 55.900 56.949 -1.049 25195 12231 1 19 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.854 -1.554 25195 12232 1 19 . 1 1 53 53 GLU H H 53 9.180 9.180 8.814 0.366 25195 12233 1 19 . 1 1 54 54 TYR N N 54 124.200 124.200 127.228 -3.028 25195 12234 1 19 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.684 0.516 25195 12235 1 19 . 1 1 54 54 TYR C C 54 174.200 174.200 173.578 0.622 25195 12236 1 19 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.977 -3.877 25195 12237 1 19 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.293 -2.293 25195 12238 1 19 . 1 1 54 54 TYR H H 54 8.460 8.460 8.520 -0.060 25195 12239 1 19 . 1 1 55 55 MET N N 55 121.900 121.900 121.202 0.698 25195 12240 1 19 . 1 1 55 55 MET H H 55 7.660 7.660 7.915 -0.255 25195 12241 1 19 . 1 1 56 56 LYS C C 56 176.700 176.700 174.935 1.765 25195 12242 1 19 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.981 -0.081 25195 12243 1 19 . 1 1 56 56 LYS CB C 56 29.200 29.200 30.847 -1.647 25195 12244 1 19 . 1 1 57 57 THR N N 57 114.700 114.700 111.016 3.684 25195 12245 1 19 . 1 1 57 57 THR HA H 57 4.720 4.720 4.469 0.251 25195 12246 1 19 . 1 1 57 57 THR CB C 57 70.500 70.500 69.627 0.873 25195 12247 1 19 . 1 1 57 57 THR H H 57 7.940 7.940 7.887 0.053 25195 12248 1 19 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.514 0.186 25195 12249 1 19 . 1 1 58 58 PRO C C 58 177.400 177.400 175.598 1.802 25195 12250 1 19 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.980 -0.180 25195 12251 1 19 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.816 -0.216 25195 12252 1 19 . 1 1 59 59 LEU N N 59 125.300 125.300 121.727 3.573 25195 12253 1 19 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.805 -0.225 25195 12254 1 19 . 1 1 59 59 LEU CB C 59 42.300 42.300 42.700 -0.400 25195 12255 1 19 . 1 1 59 59 LEU H H 59 8.760 8.760 8.133 0.627 25195 12256 1 19 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.704 -0.194 25195 12257 1 19 . 1 1 60 60 PRO C C 60 178.400 178.400 177.783 0.617 25195 12258 1 19 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.257 -0.157 25195 12259 1 19 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.528 -0.228 25195 12260 1 19 . 1 1 61 61 ARG N N 61 125.800 125.800 121.626 4.174 25195 12261 1 19 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.846 -0.146 25195 12262 1 19 . 1 1 61 61 ARG C C 61 177.800 177.800 177.602 0.198 25195 12263 1 19 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.735 1.065 25195 12264 1 19 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.462 0.938 25195 12265 1 19 . 1 1 61 61 ARG H H 61 8.980 8.980 8.818 0.162 25195 12266 1 19 . 1 1 62 62 ASP N N 62 113.300 113.300 119.908 -6.608 25195 12267 1 19 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.301 -0.061 25195 12268 1 19 . 1 1 62 62 ASP C C 62 179.100 179.100 178.398 0.702 25195 12269 1 19 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.646 -0.646 25195 12270 1 19 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.178 -0.478 25195 12271 1 19 . 1 1 62 62 ASP H H 62 8.820 8.820 8.566 0.254 25195 12272 1 19 . 1 1 63 63 MET N N 63 118.800 118.800 117.792 1.008 25195 12273 1 19 . 1 1 63 63 MET HA H 63 4.460 4.460 4.148 0.312 25195 12274 1 19 . 1 1 63 63 MET C C 63 177.700 177.700 178.726 -1.026 25195 12275 1 19 . 1 1 63 63 MET CA C 63 57.200 57.200 58.201 -1.001 25195 12276 1 19 . 1 1 63 63 MET CB C 63 32.500 32.500 31.764 0.736 25195 12277 1 19 . 1 1 63 63 MET H H 63 7.340 7.340 8.148 -0.808 25195 12278 1 19 . 1 1 64 64 LEU N N 64 121.000 121.000 120.398 0.602 25195 12279 1 19 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.096 -0.136 25195 12280 1 19 . 1 1 64 64 LEU C C 64 178.000 178.000 178.895 -0.895 25195 12281 1 19 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.028 0.272 25195 12282 1 19 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.602 -0.202 25195 12283 1 19 . 1 1 64 64 LEU H H 64 7.570 7.570 8.007 -0.437 25195 12284 1 19 . 1 1 65 65 VAL N N 65 117.200 117.200 120.349 -3.149 25195 12285 1 19 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.485 -0.055 25195 12286 1 19 . 1 1 65 65 VAL C C 65 178.500 178.500 178.071 0.429 25195 12287 1 19 . 1 1 65 65 VAL CA C 65 67.600 67.600 67.297 0.303 25195 12288 1 19 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.458 0.542 25195 12289 1 19 . 1 1 65 65 VAL H H 65 8.250 8.250 8.224 0.026 25195 12290 1 19 . 1 1 66 66 GLU N N 66 120.200 120.200 120.128 0.072 25195 12291 1 19 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.067 0.273 25195 12292 1 19 . 1 1 66 66 GLU C C 66 178.500 178.500 179.215 -0.715 25195 12293 1 19 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.393 -0.693 25195 12294 1 19 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.806 -0.606 25195 12295 1 19 . 1 1 66 66 GLU H H 66 7.510 7.510 7.929 -0.419 25195 12296 1 19 . 1 1 67 67 LEU N N 67 121.100 121.100 120.701 0.399 25195 12297 1 19 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.106 -0.116 25195 12298 1 19 . 1 1 67 67 LEU C C 67 179.400 179.400 178.427 0.973 25195 12299 1 19 . 1 1 67 67 LEU CA C 67 58.400 58.400 58.238 0.162 25195 12300 1 19 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.223 -0.423 25195 12301 1 19 . 1 1 67 67 LEU H H 67 8.480 8.480 7.987 0.493 25195 12302 1 19 . 1 1 68 68 LEU N N 68 118.500 118.500 116.916 1.584 25195 12303 1 19 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.192 -0.412 25195 12304 1 19 . 1 1 68 68 LEU C C 68 179.100 179.100 178.304 0.796 25195 12305 1 19 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.891 0.809 25195 12306 1 19 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.280 0.120 25195 12307 1 19 . 1 1 68 68 LEU H H 68 8.250 8.250 8.275 -0.025 25195 12308 1 19 . 1 1 69 69 ARG N N 69 119.200 119.200 118.266 0.934 25195 12309 1 19 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.311 -0.261 25195 12310 1 19 . 1 1 69 69 ARG C C 69 180.400 180.400 178.302 2.098 25195 12311 1 19 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.356 1.144 25195 12312 1 19 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.859 0.241 25195 12313 1 19 . 1 1 69 69 ARG H H 69 7.950 7.950 8.170 -0.220 25195 12314 1 19 . 1 1 70 70 GLN N N 70 118.500 118.500 117.555 0.945 25195 12315 1 19 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.129 -0.099 25195 12316 1 19 . 1 1 70 70 GLN C C 70 179.900 179.900 178.107 1.793 25195 12317 1 19 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.695 1.205 25195 12318 1 19 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.687 0.713 25195 12319 1 19 . 1 1 70 70 GLN H H 70 8.450 8.450 7.748 0.702 25195 12320 1 19 . 1 1 71 71 MET N N 71 117.500 117.500 117.981 -0.481 25195 12321 1 19 . 1 1 71 71 MET HA H 71 4.140 4.140 4.068 0.072 25195 12322 1 19 . 1 1 71 71 MET C C 71 175.200 175.200 177.012 -1.812 25195 12323 1 19 . 1 1 71 71 MET CA C 71 58.200 58.200 58.665 -0.465 25195 12324 1 19 . 1 1 71 71 MET CB C 71 36.200 36.200 33.101 3.099 25195 12325 1 19 . 1 1 71 71 MET H H 71 8.380 8.380 7.873 0.507 25195 12326 1 19 . 1 1 72 72 ALA N N 72 120.400 120.400 117.628 2.772 25195 12327 1 19 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.519 -0.489 25195 12328 1 19 . 1 1 72 72 ALA C C 72 176.600 176.600 176.975 -0.375 25195 12329 1 19 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.040 0.760 25195 12330 1 19 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.759 -5.259 25195 12331 1 19 . 1 1 72 72 ALA H H 72 8.100 8.100 7.500 0.600 25195 12332 1 19 . 1 1 73 73 ILE N N 73 108.600 108.600 114.976 -6.376 25195 12333 1 19 . 1 1 73 73 ILE C C 73 174.700 174.700 174.610 0.090 25195 12334 1 19 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.709 0.191 25195 12335 1 19 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.107 2.493 25195 12336 1 19 . 1 1 73 73 ILE H H 73 7.240 7.240 7.936 -0.696 25195 12337 1 19 . 1 1 74 74 SER N N 74 116.500 116.500 118.044 -1.544 25195 12338 1 19 . 1 1 74 74 SER HA H 74 4.780 4.780 4.563 0.217 25195 12339 1 19 . 1 1 74 74 SER CA C 74 55.900 55.900 58.559 -2.659 25195 12340 1 19 . 1 1 74 74 SER CB C 74 63.500 63.500 62.794 0.706 25195 12341 1 19 . 1 1 74 74 SER H H 74 8.290 8.290 8.606 -0.316 25195 12342 1 19 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.403 0.357 25195 12343 1 19 . 1 1 75 75 PRO C C 75 178.200 178.200 177.464 0.736 25195 12344 1 19 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.609 0.991 25195 12345 1 19 . 1 1 75 75 PRO CB C 75 32.100 32.100 32.098 0.002 25195 12346 1 19 . 1 1 76 76 ARG N N 76 114.400 114.400 117.114 -2.714 25195 12347 1 19 . 1 1 76 76 ARG C C 76 178.100 178.100 176.648 1.452 25195 12348 1 19 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.767 1.233 25195 12349 1 19 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.711 -0.311 25195 12350 1 19 . 1 1 76 76 ARG H H 76 8.340 8.340 8.108 0.232 25195 12351 1 19 . 1 1 77 77 ALA N N 77 119.400 119.400 119.528 -0.128 25195 12352 1 19 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.580 -0.350 25195 12353 1 19 . 1 1 77 77 ALA C C 77 178.100 178.100 176.369 1.731 25195 12354 1 19 . 1 1 77 77 ALA CA C 77 53.800 53.800 50.966 2.834 25195 12355 1 19 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.851 -0.251 25195 12356 1 19 . 1 1 77 77 ALA H H 77 7.720 7.720 7.535 0.185 25195 12357 1 19 . 1 1 78 78 LEU N N 78 119.400 119.400 119.679 -0.279 25195 12358 1 19 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.374 0.006 25195 12359 1 19 . 1 1 78 78 LEU C C 78 174.800 174.800 176.705 -1.905 25195 12360 1 19 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.346 -2.446 25195 12361 1 19 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.421 0.679 25195 12362 1 19 . 1 1 78 78 LEU H H 78 7.610 7.610 7.189 0.421 25195 12363 1 19 . 1 1 79 79 LEU N N 79 118.700 118.700 120.746 -2.046 25195 12364 1 19 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.948 0.702 25195 12365 1 19 . 1 1 79 79 LEU C C 79 178.900 178.900 176.829 2.071 25195 12366 1 19 . 1 1 79 79 LEU CA C 79 55.100 55.100 55.020 0.080 25195 12367 1 19 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.441 5.159 25195 12368 1 19 . 1 1 79 79 LEU H H 79 7.220 7.220 7.736 -0.516 25195 12369 1 19 . 1 1 80 80 ARG N N 80 124.000 124.000 124.298 -0.298 25195 12370 1 19 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.025 0.195 25195 12371 1 19 . 1 1 80 80 ARG C C 80 174.800 174.800 176.781 -1.981 25195 12372 1 19 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.632 -0.431 25195 12373 1 19 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.933 -0.233 25195 12374 1 19 . 1 1 80 80 ARG H H 80 8.780 8.780 8.093 0.687 25195 12375 1 19 . 1 1 81 81 ALA N N 81 124.400 124.400 123.614 0.786 25195 12376 1 19 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.199 -1.709 25195 12377 1 19 . 1 1 81 81 ALA C C 81 177.600 177.600 178.650 -1.050 25195 12378 1 19 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.754 -2.054 25195 12379 1 19 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.883 -0.283 25195 12380 1 19 . 1 1 81 81 ALA H H 81 7.420 7.420 8.520 -1.100 25195 12381 1 19 . 1 1 82 82 LYS N N 82 114.500 114.500 117.339 -2.839 25195 12382 1 19 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.106 0.144 25195 12383 1 19 . 1 1 82 82 LYS C C 82 177.700 177.700 178.208 -0.508 25195 12384 1 19 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.230 -2.430 25195 12385 1 19 . 1 1 82 82 LYS CB C 82 31.400 31.400 31.886 -0.486 25195 12386 1 19 . 1 1 82 82 LYS H H 82 8.190 8.190 8.240 -0.050 25195 12387 1 19 . 1 1 83 83 GLU N N 83 118.700 118.700 119.560 -0.860 25195 12388 1 19 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.372 -0.172 25195 12389 1 19 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.147 0.653 25195 12390 1 19 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.225 2.075 25195 12391 1 19 . 1 1 83 83 GLU H H 83 7.120 7.120 7.815 -0.695 25195 12392 1 19 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.901 0.309 25195 12393 1 19 . 1 1 84 84 ALA C C 84 180.900 180.900 179.081 1.819 25195 12394 1 19 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.780 -0.080 25195 12395 1 19 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.693 -0.893 25195 12396 1 19 . 1 1 85 85 ARG N N 85 115.800 115.800 118.484 -2.684 25195 12397 1 19 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.962 0.098 25195 12398 1 19 . 1 1 85 85 ARG C C 85 178.200 178.200 178.372 -0.172 25195 12399 1 19 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.555 -1.655 25195 12400 1 19 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.311 0.588 25195 12401 1 19 . 1 1 85 85 ARG H H 85 9.280 9.280 8.231 1.049 25195 12402 1 19 . 1 1 86 86 TYR N N 86 118.300 118.300 120.717 -2.417 25195 12403 1 19 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.076 -0.236 25195 12404 1 19 . 1 1 86 86 TYR C C 86 176.500 176.500 176.682 -0.182 25195 12405 1 19 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.639 -0.439 25195 12406 1 19 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.611 0.589 25195 12407 1 19 . 1 1 86 86 TYR H H 86 7.270 7.270 8.687 -1.417 25195 12408 1 19 . 1 1 87 87 ALA N N 87 120.500 120.500 119.209 1.291 25195 12409 1 19 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.473 0.867 25195 12410 1 19 . 1 1 87 87 ALA C C 87 181.900 181.900 180.392 1.508 25195 12411 1 19 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.300 0.101 25195 12412 1 19 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.692 0.708 25195 12413 1 19 . 1 1 87 87 ALA H H 87 7.110 7.110 7.779 -0.669 25195 12414 1 19 . 1 1 88 88 GLU N N 88 119.500 119.500 120.084 -0.584 25195 12415 1 19 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.019 -0.039 25195 12416 1 19 . 1 1 88 88 GLU C C 88 178.800 178.800 178.479 0.321 25195 12417 1 19 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.724 0.577 25195 12418 1 19 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.469 1.031 25195 12419 1 19 . 1 1 88 88 GLU H H 88 8.240 8.240 8.074 0.166 25195 12420 1 19 . 1 1 89 89 LEU N N 89 115.100 115.100 117.242 -2.142 25195 12421 1 19 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.220 0.060 25195 12422 1 19 . 1 1 89 89 LEU C C 89 176.900 176.900 177.440 -0.540 25195 12423 1 19 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.513 -1.013 25195 12424 1 19 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.316 0.484 25195 12425 1 19 . 1 1 89 89 LEU H H 89 7.430 7.430 7.942 -0.512 25195 12426 1 19 . 1 1 90 90 GLY N N 90 108.200 108.200 106.031 2.169 25195 12427 1 19 . 1 1 90 90 GLY C C 90 176.900 176.900 175.861 1.039 25195 12428 1 19 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.585 1.415 25195 12429 1 19 . 1 1 90 90 GLY H H 90 7.690 7.690 7.639 0.051 25195 12430 1 19 . 1 1 91 91 LEU N N 91 113.000 113.000 120.302 -7.302 25195 12431 1 19 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.047 -0.277 25195 12432 1 19 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.511 -1.811 25195 12433 1 19 . 1 1 91 91 LEU CB C 91 39.300 39.300 40.944 -1.644 25195 12434 1 19 . 1 1 91 91 LEU H H 91 7.000 7.000 7.380 -0.380 25195 12435 1 19 . 1 1 92 92 ASP N N 92 117.000 117.000 115.639 1.361 25195 12436 1 19 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.499 -0.059 25195 12437 1 19 . 1 1 92 92 ASP C C 92 175.400 175.400 176.054 -0.654 25195 12438 1 19 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.940 -1.140 25195 12439 1 19 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.935 -0.235 25195 12440 1 19 . 1 1 92 92 ASP H H 92 8.510 8.510 7.919 0.591 25195 12441 1 19 . 1 1 93 93 ASP N N 93 120.600 120.600 119.855 0.745 25195 12442 1 19 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.625 -0.045 25195 12443 1 19 . 1 1 93 93 ASP C C 93 176.000 176.000 176.654 -0.654 25195 12444 1 19 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.815 -1.714 25195 12445 1 19 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.890 0.610 25195 12446 1 19 . 1 1 93 93 ASP H H 93 7.000 7.000 7.610 -0.610 25195 12447 1 19 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.322 -0.022 25195 12448 1 19 . 1 1 94 94 PRO C C 94 178.100 178.100 176.997 1.103 25195 12449 1 19 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.371 -0.571 25195 12450 1 19 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.034 0.166 25195 12451 1 19 . 1 1 95 95 ALA N N 95 121.900 121.900 119.506 2.394 25195 12452 1 19 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.213 0.057 25195 12453 1 19 . 1 1 95 95 ALA C C 95 178.400 178.400 178.334 0.066 25195 12454 1 19 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.975 -0.475 25195 12455 1 19 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.721 0.479 25195 12456 1 19 . 1 1 95 95 ALA H H 95 8.610 8.610 7.990 0.620 25195 12457 1 19 . 1 1 96 96 LEU N N 96 117.600 117.600 119.110 -1.510 25195 12458 1 19 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.342 -0.172 25195 12459 1 19 . 1 1 96 96 LEU C C 96 177.600 177.600 176.745 0.855 25195 12460 1 19 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.246 0.254 25195 12461 1 19 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.862 -0.462 25195 12462 1 19 . 1 1 96 96 LEU H H 96 7.010 7.010 7.487 -0.477 25195 12463 1 19 . 1 1 97 97 SER N N 97 119.200 119.200 112.586 6.614 25195 12464 1 19 . 1 1 97 97 SER HA H 97 4.360 4.360 4.791 -0.431 25195 12465 1 19 . 1 1 97 97 SER C C 97 174.400 174.400 174.444 -0.044 25195 12466 1 19 . 1 1 97 97 SER CA C 97 57.300 57.300 56.781 0.519 25195 12467 1 19 . 1 1 97 97 SER CB C 97 64.900 64.900 65.570 -0.670 25195 12468 1 19 . 1 1 97 97 SER H H 97 8.620 8.620 8.098 0.522 25195 12469 1 19 . 1 1 98 98 ASP N N 98 122.000 122.000 122.274 -0.274 25195 12470 1 19 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.352 -0.082 25195 12471 1 19 . 1 1 98 98 ASP C C 98 178.100 178.100 177.915 0.185 25195 12472 1 19 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.358 0.442 25195 12473 1 19 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.666 -0.566 25195 12474 1 19 . 1 1 98 98 ASP H H 98 9.050 9.050 8.846 0.204 25195 12475 1 19 . 1 1 99 99 GLU N N 99 116.100 116.100 120.299 -4.199 25195 12476 1 19 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.035 -0.245 25195 12477 1 19 . 1 1 99 99 GLU C C 99 176.800 176.800 178.864 -2.064 25195 12478 1 19 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.709 0.191 25195 12479 1 19 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.543 -0.343 25195 12480 1 19 . 1 1 99 99 GLU H H 99 8.250 8.250 8.614 -0.364 25195 12481 1 19 . 1 1 100 100 VAL N N 100 118.000 118.000 117.837 0.163 25195 12482 1 19 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.857 -0.047 25195 12483 1 19 . 1 1 100 100 VAL C C 100 179.200 179.200 178.137 1.063 25195 12484 1 19 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.624 -0.024 25195 12485 1 19 . 1 1 100 100 VAL CB C 100 31.400 31.400 30.702 0.698 25195 12486 1 19 . 1 1 100 100 VAL H H 100 7.290 7.290 7.566 -0.276 25195 12487 1 19 . 1 1 101 101 LEU N N 101 120.100 120.100 121.196 -1.096 25195 12488 1 19 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.013 -0.063 25195 12489 1 19 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.151 -0.051 25195 12490 1 19 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.752 0.748 25195 12491 1 19 . 1 1 101 101 LEU H H 101 7.610 7.610 7.884 -0.274 25195 12492 1 19 . 1 1 102 102 ILE N N 102 118.900 118.900 119.637 -0.737 25195 12493 1 19 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.546 -0.126 25195 12494 1 19 . 1 1 102 102 ILE C C 102 177.700 177.700 177.739 -0.039 25195 12495 1 19 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.311 0.089 25195 12496 1 19 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.652 0.848 25195 12497 1 19 . 1 1 102 102 ILE H H 102 8.260 8.260 8.590 -0.330 25195 12498 1 19 . 1 1 103 103 ASP N N 103 118.000 118.000 120.099 -2.099 25195 12499 1 19 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.183 0.137 25195 12500 1 19 . 1 1 103 103 ASP C C 103 179.400 179.400 177.765 1.635 25195 12501 1 19 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.678 0.122 25195 12502 1 19 . 1 1 103 103 ASP CB C 103 40.100 40.100 41.106 -1.006 25195 12503 1 19 . 1 1 103 103 ASP H H 103 8.080 8.080 8.078 0.002 25195 12504 1 19 . 1 1 104 104 ALA N N 104 121.500 121.500 121.865 -0.365 25195 12505 1 19 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.052 0.018 25195 12506 1 19 . 1 1 104 104 ALA C C 104 179.900 179.900 179.671 0.229 25195 12507 1 19 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.986 0.414 25195 12508 1 19 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.592 -0.892 25195 12509 1 19 . 1 1 104 104 ALA H H 104 8.210 8.210 7.989 0.221 25195 12510 1 19 . 1 1 105 105 MET N N 105 115.800 115.800 119.303 -3.503 25195 12511 1 19 . 1 1 105 105 MET HA H 105 3.940 3.940 4.105 -0.165 25195 12512 1 19 . 1 1 105 105 MET C C 105 176.700 176.700 178.469 -1.769 25195 12513 1 19 . 1 1 105 105 MET CA C 105 59.500 59.500 59.019 0.481 25195 12514 1 19 . 1 1 105 105 MET CB C 105 35.400 35.400 32.931 2.469 25195 12515 1 19 . 1 1 105 105 MET H H 105 7.520 7.520 7.763 -0.243 25195 12516 1 19 . 1 1 106 106 ILE N N 106 118.100 118.100 116.243 1.857 25195 12517 1 19 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.841 0.179 25195 12518 1 19 . 1 1 106 106 ILE C C 106 178.200 178.200 177.817 0.383 25195 12519 1 19 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.283 -1.283 25195 12520 1 19 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.701 -0.001 25195 12521 1 19 . 1 1 106 106 ILE H H 106 7.730 7.730 8.543 -0.814 25195 12522 1 19 . 1 1 107 107 SER N N 107 112.400 112.400 113.621 -1.221 25195 12523 1 19 . 1 1 107 107 SER HA H 107 4.340 4.340 4.384 -0.044 25195 12524 1 19 . 1 1 107 107 SER C C 107 174.800 174.800 174.761 0.039 25195 12525 1 19 . 1 1 107 107 SER CA C 107 60.400 60.400 59.903 0.497 25195 12526 1 19 . 1 1 107 107 SER CB C 107 64.000 64.000 63.934 0.066 25195 12527 1 19 . 1 1 107 107 SER H H 107 8.160 8.160 7.653 0.507 25195 12528 1 19 . 1 1 108 108 ASN N N 108 116.400 116.400 119.722 -3.322 25195 12529 1 19 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.950 0.340 25195 12530 1 19 . 1 1 108 108 ASN CA C 108 51.100 51.100 51.946 -0.846 25195 12531 1 19 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.827 1.373 25195 12532 1 19 . 1 1 108 108 ASN H H 108 7.700 7.700 7.686 0.014 25195 12533 1 19 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.347 0.423 25195 12534 1 19 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.057 0.743 25195 12535 1 19 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.762 0.438 25195 12536 1 19 . 1 1 110 110 VAL N N 110 119.100 119.100 113.038 6.062 25195 12537 1 19 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.940 0.110 25195 12538 1 19 . 1 1 110 110 VAL C C 110 175.200 175.200 176.444 -1.244 25195 12539 1 19 . 1 1 110 110 VAL CA C 110 64.600 64.600 64.226 0.374 25195 12540 1 19 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.205 -0.005 25195 12541 1 19 . 1 1 110 110 VAL H H 110 8.280 8.280 7.611 0.669 25195 12542 1 19 . 1 1 111 111 LEU N N 111 115.200 115.200 114.598 0.602 25195 12543 1 19 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.138 0.262 25195 12544 1 19 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.142 3.058 25195 12545 1 19 . 1 1 111 111 LEU H H 111 8.420 8.420 7.404 1.016 25195 12546 1 19 . 1 1 112 112 MET N N 112 118.900 118.900 118.494 0.406 25195 12547 1 19 . 1 1 112 112 MET HA H 112 4.060 4.060 4.295 -0.235 25195 12548 1 19 . 1 1 112 112 MET CA C 112 56.500 56.500 56.638 -0.138 25195 12549 1 19 . 1 1 112 112 MET CB C 112 35.600 35.600 31.013 4.587 25195 12550 1 19 . 1 1 112 112 MET H H 112 7.940 7.940 7.774 0.166 25195 12551 1 19 . 1 1 113 113 ASN N N 113 125.800 125.800 120.922 4.878 25195 12552 1 19 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.821 -0.181 25195 12553 1 19 . 1 1 113 113 ASN C C 113 170.700 170.700 176.040 -5.340 25195 12554 1 19 . 1 1 113 113 ASN CA C 113 52.200 52.200 52.891 -0.691 25195 12555 1 19 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.772 -1.872 25195 12556 1 19 . 1 1 113 113 ASN H H 113 9.140 9.140 8.347 0.793 25195 12557 1 19 . 1 1 114 114 ARG N N 114 113.200 113.200 120.469 -7.269 25195 12558 1 19 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.994 -5.194 25195 12559 1 19 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.421 1.379 25195 12560 1 19 . 1 1 114 114 ARG H H 114 7.970 7.970 8.295 -0.325 25195 12561 1 19 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.732 0.088 25195 12562 1 19 . 1 1 115 115 PRO C C 115 175.400 175.400 176.062 -0.662 25195 12563 1 19 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.911 -0.311 25195 12564 1 19 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.508 1.892 25195 12565 1 19 . 1 1 116 116 VAL N N 116 124.500 124.500 126.305 -1.805 25195 12566 1 19 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.393 0.687 25195 12567 1 19 . 1 1 116 116 VAL C C 116 174.500 174.500 173.940 0.560 25195 12568 1 19 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.349 1.151 25195 12569 1 19 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.776 -2.776 25195 12570 1 19 . 1 1 116 116 VAL H H 116 7.840 7.840 8.872 -1.032 25195 12571 1 19 . 1 1 117 117 VAL N N 117 128.000 128.000 127.693 0.307 25195 12572 1 19 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.608 0.172 25195 12573 1 19 . 1 1 117 117 VAL CA C 117 61.000 61.000 59.691 1.309 25195 12574 1 19 . 1 1 117 117 VAL CB C 117 34.800 34.800 35.045 -0.245 25195 12575 1 19 . 1 1 117 117 VAL H H 117 8.670 8.670 9.208 -0.538 25195 12576 1 19 . 1 1 118 118 VAL N N 118 125.700 125.700 130.080 -4.380 25195 12577 1 19 . 1 1 118 118 VAL C C 118 175.700 175.700 174.474 1.226 25195 12578 1 19 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.557 -0.357 25195 12579 1 19 . 1 1 118 118 VAL CB C 118 35.000 35.000 33.210 1.790 25195 12580 1 19 . 1 1 118 118 VAL H H 118 9.110 9.110 9.284 -0.174 25195 12581 1 19 . 1 1 119 119 THR N N 119 118.500 118.500 118.783 -0.283 25195 12582 1 19 . 1 1 119 119 THR HA H 119 5.490 5.490 5.022 0.468 25195 12583 1 19 . 1 1 119 119 THR CA C 119 58.800 58.800 58.548 0.251 25195 12584 1 19 . 1 1 119 119 THR CB C 119 69.800 69.800 70.800 -1.000 25195 12585 1 19 . 1 1 119 119 THR H H 119 9.370 9.370 8.832 0.538 25195 12586 1 19 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.474 0.006 25195 12587 1 19 . 1 1 120 120 PRO C C 120 177.800 177.800 177.134 0.666 25195 12588 1 19 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.398 0.702 25195 12589 1 19 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.751 0.549 25195 12590 1 19 . 1 1 121 121 LYS N N 121 113.600 113.600 117.750 -4.150 25195 12591 1 19 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.450 -0.190 25195 12592 1 19 . 1 1 121 121 LYS C C 121 176.400 176.400 175.825 0.575 25195 12593 1 19 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.954 1.246 25195 12594 1 19 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.990 -0.190 25195 12595 1 19 . 1 1 121 121 LYS H H 121 8.360 8.360 8.051 0.309 25195 12596 1 19 . 1 1 122 122 GLY N N 122 108.400 108.400 107.404 0.996 25195 12597 1 19 . 1 1 122 122 GLY C C 122 169.500 169.500 172.039 -2.539 25195 12598 1 19 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.094 0.006 25195 12599 1 19 . 1 1 122 122 GLY H H 122 7.900 7.900 7.629 0.271 25195 12600 1 19 . 1 1 123 123 VAL N N 123 117.100 117.100 115.825 1.275 25195 12601 1 19 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.149 0.311 25195 12602 1 19 . 1 1 123 123 VAL C C 123 176.100 176.100 174.382 1.718 25195 12603 1 19 . 1 1 123 123 VAL CA C 123 60.000 60.000 59.575 0.425 25195 12604 1 19 . 1 1 123 123 VAL CB C 123 34.800 34.800 34.470 0.330 25195 12605 1 19 . 1 1 123 123 VAL H H 123 8.080 8.080 8.325 -0.245 25195 12606 1 19 . 1 1 124 124 ARG N N 124 122.300 122.300 121.532 0.768 25195 12607 1 19 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.617 0.043 25195 12608 1 19 . 1 1 124 124 ARG C C 124 174.800 174.800 174.317 0.483 25195 12609 1 19 . 1 1 124 124 ARG CA C 124 54.400 54.400 53.956 0.444 25195 12610 1 19 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.628 1.272 25195 12611 1 19 . 1 1 124 124 ARG H H 124 8.510 8.510 8.522 -0.012 25195 12612 1 19 . 1 1 125 125 LEU N N 125 125.500 125.500 122.128 3.372 25195 12613 1 19 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.277 0.323 25195 12614 1 19 . 1 1 125 125 LEU C C 125 176.500 176.500 177.469 -0.969 25195 12615 1 19 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.756 -1.056 25195 12616 1 19 . 1 1 125 125 LEU CB C 125 40.900 40.900 41.907 -1.007 25195 12617 1 19 . 1 1 125 125 LEU H H 125 8.860 8.860 8.720 0.140 25195 12618 1 19 . 1 1 126 126 CYS N N 126 129.700 129.700 121.853 7.847 25195 12619 1 19 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.205 0.285 25195 12620 1 19 . 1 1 126 126 CYS C C 126 172.000 172.000 174.444 -2.444 25195 12621 1 19 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.559 0.342 25195 12622 1 19 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.374 -0.074 25195 12623 1 19 . 1 1 126 126 CYS H H 126 8.540 8.540 8.643 -0.103 25195 12624 1 19 . 1 1 127 127 ARG N N 127 117.500 117.500 119.597 -2.097 25195 12625 1 19 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.623 -0.433 25195 12626 1 19 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.653 -0.453 25195 12627 1 19 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.213 2.187 25195 12628 1 19 . 1 1 127 127 ARG H H 127 6.930 6.930 7.124 -0.194 25195 12629 1 19 . 1 1 128 128 PRO C C 128 177.100 177.100 178.162 -1.062 25195 12630 1 19 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.061 1.139 25195 12631 1 19 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.691 2.609 25195 12632 1 19 . 1 1 129 129 ALA N N 129 124.000 124.000 121.913 2.087 25195 12633 1 19 . 1 1 129 129 ALA HA H 129 3.850 3.850 3.939 -0.089 25195 12634 1 19 . 1 1 129 129 ALA C C 129 177.700 177.700 179.321 -1.621 25195 12635 1 19 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.670 0.529 25195 12636 1 19 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.798 1.102 25195 12637 1 19 . 1 1 129 129 ALA H H 129 9.320 9.320 8.772 0.548 25195 12638 1 19 . 1 1 130 130 GLU N N 130 111.600 111.600 117.596 -5.996 25195 12639 1 19 . 1 1 130 130 GLU HA H 130 3.840 3.840 3.986 -0.146 25195 12640 1 19 . 1 1 130 130 GLU C C 130 178.200 178.200 178.614 -0.414 25195 12641 1 19 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.762 0.738 25195 12642 1 19 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.096 -0.997 25195 12643 1 19 . 1 1 130 130 GLU H H 130 9.490 9.490 8.483 1.007 25195 12644 1 19 . 1 1 131 131 THR N N 131 116.100 116.100 113.258 2.842 25195 12645 1 19 . 1 1 131 131 THR HA H 131 4.040 4.040 4.071 -0.031 25195 12646 1 19 . 1 1 131 131 THR C C 131 175.800 175.800 176.494 -0.694 25195 12647 1 19 . 1 1 131 131 THR CA C 131 65.600 65.600 65.570 0.030 25195 12648 1 19 . 1 1 131 131 THR CB C 131 69.800 69.800 69.004 0.797 25195 12649 1 19 . 1 1 131 131 THR H H 131 7.940 7.940 7.710 0.230 25195 12650 1 19 . 1 1 132 132 VAL N N 132 119.200 119.200 122.514 -3.314 25195 12651 1 19 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.620 0.260 25195 12652 1 19 . 1 1 132 132 VAL C C 132 176.500 176.500 177.360 -0.860 25195 12653 1 19 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.819 -1.719 25195 12654 1 19 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.705 0.695 25195 12655 1 19 . 1 1 132 132 VAL H H 132 8.130 8.130 7.718 0.412 25195 12656 1 19 . 1 1 133 133 GLN N N 133 118.500 118.500 118.244 0.256 25195 12657 1 19 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.097 -0.247 25195 12658 1 19 . 1 1 133 133 GLN C C 133 178.500 178.500 177.565 0.935 25195 12659 1 19 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.438 0.362 25195 12660 1 19 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.279 -0.279 25195 12661 1 19 . 1 1 133 133 GLN H H 133 7.690 7.690 8.183 -0.493 25195 12662 1 19 . 1 1 134 134 GLU N N 134 115.200 115.200 119.439 -4.239 25195 12663 1 19 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.184 -0.044 25195 12664 1 19 . 1 1 134 134 GLU C C 134 177.000 177.000 178.071 -1.071 25195 12665 1 19 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.774 0.026 25195 12666 1 19 . 1 1 134 134 GLU CB C 134 29.900 29.900 30.044 -0.144 25195 12667 1 19 . 1 1 134 134 GLU H H 134 7.620 7.620 7.771 -0.151 25195 12668 1 19 . 1 1 135 135 LEU N N 135 115.600 115.600 119.787 -4.187 25195 12669 1 19 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.252 -0.032 25195 12670 1 19 . 1 1 135 135 LEU C C 135 176.100 176.100 176.893 -0.793 25195 12671 1 19 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.685 -2.885 25195 12672 1 19 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.904 0.396 25195 12673 1 19 . 1 1 135 135 LEU H H 135 7.740 7.740 7.803 -0.063 25195 12674 1 20 . 1 1 9 9 MET C C 9 176.700 176.700 175.459 1.241 25195 12675 1 20 . 1 1 9 9 MET CA C 9 55.600 55.600 54.802 0.798 25195 12676 1 20 . 1 1 9 9 MET CB C 9 32.700 32.700 35.480 -2.780 25195 12677 1 20 . 1 1 10 10 GLY N N 10 109.800 109.800 108.784 1.016 25195 12678 1 20 . 1 1 10 10 GLY C C 10 174.400 174.400 174.277 0.123 25195 12679 1 20 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.341 -0.041 25195 12680 1 20 . 1 1 10 10 GLY H H 10 8.480 8.480 8.597 -0.117 25195 12681 1 20 . 1 1 11 11 THR N N 11 113.500 113.500 120.105 -6.605 25195 12682 1 20 . 1 1 11 11 THR HA H 11 4.330 4.330 4.318 0.012 25195 12683 1 20 . 1 1 11 11 THR CA C 11 62.100 62.100 62.316 -0.216 25195 12684 1 20 . 1 1 11 11 THR CB C 11 69.900 69.900 69.017 0.882 25195 12685 1 20 . 1 1 11 11 THR H H 11 8.080 8.080 7.976 0.104 25195 12686 1 20 . 1 1 12 12 LEU N N 12 123.900 123.900 125.638 -1.738 25195 12687 1 20 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.387 -0.077 25195 12688 1 20 . 1 1 12 12 LEU C C 12 177.700 177.700 176.672 1.028 25195 12689 1 20 . 1 1 12 12 LEU CA C 12 55.800 55.800 55.072 0.728 25195 12690 1 20 . 1 1 12 12 LEU CB C 12 42.200 42.200 42.847 -0.647 25195 12691 1 20 . 1 1 12 12 LEU H H 12 8.390 8.390 8.442 -0.052 25195 12692 1 20 . 1 1 13 13 GLU N N 13 121.300 121.300 120.732 0.568 25195 12693 1 20 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.417 -0.217 25195 12694 1 20 . 1 1 13 13 GLU C C 13 176.500 176.500 175.164 1.336 25195 12695 1 20 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.322 1.778 25195 12696 1 20 . 1 1 13 13 GLU CB C 13 29.900 29.900 30.368 -0.468 25195 12697 1 20 . 1 1 13 13 GLU H H 13 8.430 8.430 8.392 0.038 25195 12698 1 20 . 1 1 14 14 ALA N N 14 124.100 124.100 126.536 -2.436 25195 12699 1 20 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.177 0.093 25195 12700 1 20 . 1 1 14 14 ALA C C 14 177.900 177.900 176.823 1.077 25195 12701 1 20 . 1 1 14 14 ALA CA C 14 52.800 52.800 52.532 0.268 25195 12702 1 20 . 1 1 14 14 ALA CB C 14 19.200 19.200 19.549 -0.349 25195 12703 1 20 . 1 1 14 14 ALA H H 14 8.270 8.270 8.370 -0.100 25195 12704 1 20 . 1 1 15 15 GLN N N 15 118.900 118.900 120.045 -1.145 25195 12705 1 20 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.547 -0.307 25195 12706 1 20 . 1 1 15 15 GLN C C 15 176.500 176.500 175.223 1.277 25195 12707 1 20 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.727 0.073 25195 12708 1 20 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.619 -1.219 25195 12709 1 20 . 1 1 15 15 GLN H H 15 8.360 8.360 8.574 -0.214 25195 12710 1 20 . 1 1 16 16 THR N N 16 114.900 114.900 114.067 0.833 25195 12711 1 20 . 1 1 16 16 THR HA H 16 4.360 4.360 4.494 -0.134 25195 12712 1 20 . 1 1 16 16 THR C C 16 174.600 174.600 173.911 0.689 25195 12713 1 20 . 1 1 16 16 THR CA C 16 61.900 61.900 60.936 0.964 25195 12714 1 20 . 1 1 16 16 THR CB C 16 69.800 69.800 69.990 -0.190 25195 12715 1 20 . 1 1 16 16 THR H H 16 8.190 8.190 8.148 0.042 25195 12716 1 20 . 1 1 17 17 GLN N N 17 122.100 122.100 120.180 1.920 25195 12717 1 20 . 1 1 17 17 GLN C C 17 176.100 176.100 176.371 -0.271 25195 12718 1 20 . 1 1 17 17 GLN CA C 17 55.700 55.700 56.810 -1.110 25195 12719 1 20 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.578 1.122 25195 12720 1 20 . 1 1 17 17 GLN H H 17 8.440 8.440 8.580 -0.140 25195 12721 1 20 . 1 1 18 18 GLY N N 18 110.100 110.100 111.154 -1.054 25195 12722 1 20 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.218 0.483 25195 12723 1 20 . 1 1 18 18 GLY H H 18 8.370 8.370 8.402 -0.032 25195 12724 1 20 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.495 -0.055 25195 12725 1 20 . 1 1 19 19 PRO C C 19 177.700 177.700 176.827 0.873 25195 12726 1 20 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.588 1.112 25195 12727 1 20 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.369 0.031 25195 12728 1 20 . 1 1 20 20 GLY N N 20 109.200 109.200 106.123 3.077 25195 12729 1 20 . 1 1 20 20 GLY C C 20 174.400 174.400 174.470 -0.070 25195 12730 1 20 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.687 0.713 25195 12731 1 20 . 1 1 20 20 GLY H H 20 8.620 8.620 8.220 0.400 25195 12732 1 20 . 1 1 21 21 SER N N 21 115.000 115.000 115.051 -0.051 25195 12733 1 20 . 1 1 21 21 SER HA H 21 4.420 4.420 4.482 -0.062 25195 12734 1 20 . 1 1 21 21 SER C C 21 174.600 174.600 174.548 0.052 25195 12735 1 20 . 1 1 21 21 SER CA C 21 58.600 58.600 57.655 0.945 25195 12736 1 20 . 1 1 21 21 SER CB C 21 64.100 64.100 63.193 0.907 25195 12737 1 20 . 1 1 21 21 SER H H 21 8.180 8.180 8.454 -0.274 25195 12738 1 20 . 1 1 22 22 MET N N 22 121.500 121.500 120.111 1.389 25195 12739 1 20 . 1 1 22 22 MET HA H 22 4.440 4.440 4.690 -0.250 25195 12740 1 20 . 1 1 22 22 MET C C 22 175.100 175.100 175.365 -0.265 25195 12741 1 20 . 1 1 22 22 MET CA C 22 55.600 55.600 54.956 0.644 25195 12742 1 20 . 1 1 22 22 MET CB C 22 33.600 33.600 31.598 2.002 25195 12743 1 20 . 1 1 22 22 MET H H 22 8.340 8.340 7.772 0.568 25195 12744 1 20 . 1 1 23 23 ASP N N 23 123.000 123.000 124.044 -1.044 25195 12745 1 20 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.893 -0.283 25195 12746 1 20 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.785 1.015 25195 12747 1 20 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.396 0.304 25195 12748 1 20 . 1 1 23 23 ASP H H 23 8.170 8.170 8.460 -0.290 25195 12749 1 20 . 1 1 24 24 VAL N N 24 123.200 123.200 120.513 2.687 25195 12750 1 20 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.916 0.124 25195 12751 1 20 . 1 1 24 24 VAL C C 24 174.900 174.900 174.644 0.256 25195 12752 1 20 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.964 -0.064 25195 12753 1 20 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.563 0.537 25195 12754 1 20 . 1 1 24 24 VAL H H 24 8.210 8.210 8.070 0.140 25195 12755 1 20 . 1 1 25 25 THR N N 25 124.200 124.200 123.041 1.159 25195 12756 1 20 . 1 1 25 25 THR HA H 25 5.310 5.310 4.613 0.697 25195 12757 1 20 . 1 1 25 25 THR C C 25 172.300 172.300 173.399 -1.099 25195 12758 1 20 . 1 1 25 25 THR CA C 25 61.800 61.800 61.821 -0.021 25195 12759 1 20 . 1 1 25 25 THR CB C 25 71.600 71.600 69.978 1.622 25195 12760 1 20 . 1 1 25 25 THR H H 25 9.170 9.170 8.891 0.279 25195 12761 1 20 . 1 1 26 26 ILE N N 26 122.500 122.500 124.193 -1.693 25195 12762 1 20 . 1 1 26 26 ILE HA H 26 5.270 5.270 5.014 0.256 25195 12763 1 20 . 1 1 26 26 ILE C C 26 172.200 172.200 174.286 -2.086 25195 12764 1 20 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.020 -0.320 25195 12765 1 20 . 1 1 26 26 ILE CB C 26 42.300 42.300 39.734 2.566 25195 12766 1 20 . 1 1 26 26 ILE H H 26 8.910 8.910 8.763 0.147 25195 12767 1 20 . 1 1 27 27 TYR N N 27 129.400 129.400 125.013 4.387 25195 12768 1 20 . 1 1 27 27 TYR HA H 27 5.180 5.180 4.993 0.187 25195 12769 1 20 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.677 1.823 25195 12770 1 20 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.367 -2.267 25195 12771 1 20 . 1 1 27 27 TYR H H 27 9.090 9.090 9.112 -0.022 25195 12772 1 20 . 1 1 29 29 ASN CB C 29 42.700 42.700 38.452 4.248 25195 12773 1 20 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.315 0.535 25195 12774 1 20 . 1 1 30 30 PRO C C 30 177.000 177.000 175.590 1.410 25195 12775 1 20 . 1 1 30 30 PRO CA C 30 64.200 64.200 63.120 1.079 25195 12776 1 20 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.143 2.557 25195 12777 1 20 . 1 1 31 31 VAL N N 31 112.100 112.100 122.540 -10.440 25195 12778 1 20 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.335 -0.175 25195 12779 1 20 . 1 1 31 31 VAL C C 31 175.000 175.000 174.992 0.008 25195 12780 1 20 . 1 1 31 31 VAL CA C 31 62.000 62.000 59.968 2.031 25195 12781 1 20 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.800 -2.300 25195 12782 1 20 . 1 1 31 31 VAL H H 31 7.290 7.290 8.111 -0.821 25195 12783 1 20 . 1 1 32 32 CYS N N 32 126.100 126.100 127.059 -0.959 25195 12784 1 20 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.161 0.199 25195 12785 1 20 . 1 1 32 32 CYS CA C 32 59.300 59.300 61.149 -1.849 25195 12786 1 20 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.433 2.767 25195 12787 1 20 . 1 1 32 32 CYS H H 32 7.780 7.780 8.889 -1.109 25195 12788 1 20 . 1 1 33 33 GLY C C 33 177.400 177.400 175.876 1.524 25195 12789 1 20 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.868 0.832 25195 12790 1 20 . 1 1 34 34 THR N N 34 123.700 123.700 117.177 6.523 25195 12791 1 20 . 1 1 34 34 THR HA H 34 4.250 4.250 4.029 0.221 25195 12792 1 20 . 1 1 34 34 THR C C 34 175.600 175.600 176.386 -0.786 25195 12793 1 20 . 1 1 34 34 THR CA C 34 67.600 67.600 66.348 1.252 25195 12794 1 20 . 1 1 34 34 THR CB C 34 68.700 68.700 68.737 -0.037 25195 12795 1 20 . 1 1 34 34 THR H H 34 9.110 9.110 8.069 1.041 25195 12796 1 20 . 1 1 35 35 SER N N 35 123.600 123.600 117.523 6.077 25195 12797 1 20 . 1 1 35 35 SER C C 35 177.900 177.900 176.682 1.218 25195 12798 1 20 . 1 1 35 35 SER CA C 35 63.800 63.800 61.906 1.894 25195 12799 1 20 . 1 1 35 35 SER CB C 35 63.800 63.800 63.053 0.747 25195 12800 1 20 . 1 1 35 35 SER H H 35 9.530 9.530 8.210 1.320 25195 12801 1 20 . 1 1 36 36 ARG N N 36 113.400 113.400 120.434 -7.034 25195 12802 1 20 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.068 -0.068 25195 12803 1 20 . 1 1 36 36 ARG C C 36 179.200 179.200 178.432 0.768 25195 12804 1 20 . 1 1 36 36 ARG CA C 36 61.300 61.300 59.326 1.974 25195 12805 1 20 . 1 1 36 36 ARG CB C 36 31.300 31.300 30.187 1.113 25195 12806 1 20 . 1 1 36 36 ARG H H 36 8.740 8.740 8.296 0.444 25195 12807 1 20 . 1 1 37 37 LYS N N 37 121.900 121.900 120.710 1.190 25195 12808 1 20 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.085 0.055 25195 12809 1 20 . 1 1 37 37 LYS C C 37 179.400 179.400 178.630 0.770 25195 12810 1 20 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.518 0.182 25195 12811 1 20 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.399 0.201 25195 12812 1 20 . 1 1 37 37 LYS H H 37 7.980 7.980 7.871 0.109 25195 12813 1 20 . 1 1 38 38 VAL N N 38 120.900 120.900 120.348 0.552 25195 12814 1 20 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.607 0.013 25195 12815 1 20 . 1 1 38 38 VAL C C 38 177.300 177.300 177.428 -0.128 25195 12816 1 20 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.156 1.144 25195 12817 1 20 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.846 0.054 25195 12818 1 20 . 1 1 38 38 VAL H H 38 8.670 8.670 8.023 0.647 25195 12819 1 20 . 1 1 39 39 LEU N N 39 120.200 120.200 119.115 1.085 25195 12820 1 20 . 1 1 39 39 LEU C C 39 178.300 178.300 179.158 -0.858 25195 12821 1 20 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.655 0.945 25195 12822 1 20 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.331 0.269 25195 12823 1 20 . 1 1 39 39 LEU H H 39 8.300 8.300 8.252 0.048 25195 12824 1 20 . 1 1 40 40 GLY N N 40 103.600 103.600 107.639 -4.039 25195 12825 1 20 . 1 1 40 40 GLY C C 40 176.600 176.600 176.350 0.250 25195 12826 1 20 . 1 1 40 40 GLY CA C 40 47.400 47.400 46.997 0.403 25195 12827 1 20 . 1 1 40 40 GLY H H 40 8.050 8.050 7.926 0.124 25195 12828 1 20 . 1 1 41 41 MET N N 41 122.300 122.300 121.885 0.415 25195 12829 1 20 . 1 1 41 41 MET HA H 41 4.030 4.030 4.148 -0.118 25195 12830 1 20 . 1 1 41 41 MET C C 41 179.200 179.200 179.046 0.154 25195 12831 1 20 . 1 1 41 41 MET CA C 41 59.900 59.900 57.941 1.959 25195 12832 1 20 . 1 1 41 41 MET CB C 41 33.600 33.600 31.836 1.764 25195 12833 1 20 . 1 1 41 41 MET H H 41 8.310 8.310 7.968 0.342 25195 12834 1 20 . 1 1 42 42 ILE N N 42 120.600 120.600 119.278 1.322 25195 12835 1 20 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.599 -0.059 25195 12836 1 20 . 1 1 42 42 ILE C C 42 177.600 177.600 178.121 -0.521 25195 12837 1 20 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.256 0.944 25195 12838 1 20 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.310 1.790 25195 12839 1 20 . 1 1 42 42 ILE H H 42 8.260 8.260 8.284 -0.024 25195 12840 1 20 . 1 1 43 43 ARG N N 43 117.200 117.200 119.402 -2.202 25195 12841 1 20 . 1 1 43 43 ARG C C 43 182.100 182.100 178.944 3.156 25195 12842 1 20 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.273 -0.173 25195 12843 1 20 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.183 -0.783 25195 12844 1 20 . 1 1 43 43 ARG H H 43 7.810 7.810 8.012 -0.202 25195 12845 1 20 . 1 1 44 44 GLU N N 44 122.200 122.200 118.353 3.847 25195 12846 1 20 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.139 -0.089 25195 12847 1 20 . 1 1 44 44 GLU C C 44 177.600 177.600 178.205 -0.605 25195 12848 1 20 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.348 0.752 25195 12849 1 20 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.530 -0.030 25195 12850 1 20 . 1 1 44 44 GLU H H 44 8.670 8.670 8.061 0.609 25195 12851 1 20 . 1 1 45 45 ALA N N 45 120.400 120.400 121.148 -0.748 25195 12852 1 20 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.165 0.255 25195 12853 1 20 . 1 1 45 45 ALA C C 45 177.300 177.300 178.184 -0.884 25195 12854 1 20 . 1 1 45 45 ALA CA C 45 52.500 52.500 53.056 -0.556 25195 12855 1 20 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.471 -1.071 25195 12856 1 20 . 1 1 45 45 ALA H H 45 7.430 7.430 7.740 -0.310 25195 12857 1 20 . 1 1 46 46 GLY N N 46 106.000 106.000 105.335 0.665 25195 12858 1 20 . 1 1 46 46 GLY C C 46 173.800 173.800 173.749 0.051 25195 12859 1 20 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.662 0.638 25195 12860 1 20 . 1 1 46 46 GLY H H 46 8.080 8.080 7.759 0.321 25195 12861 1 20 . 1 1 47 47 ILE N N 47 121.500 121.500 120.514 0.986 25195 12862 1 20 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.322 -0.222 25195 12863 1 20 . 1 1 47 47 ILE C C 47 174.100 174.100 174.338 -0.238 25195 12864 1 20 . 1 1 47 47 ILE CA C 47 59.700 59.700 59.050 0.650 25195 12865 1 20 . 1 1 47 47 ILE CB C 47 41.100 41.100 40.360 0.740 25195 12866 1 20 . 1 1 47 47 ILE H H 47 7.180 7.180 7.659 -0.479 25195 12867 1 20 . 1 1 48 48 GLU N N 48 127.000 127.000 125.949 1.051 25195 12868 1 20 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.627 0.573 25195 12869 1 20 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.020 -0.721 25195 12870 1 20 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.854 -1.454 25195 12871 1 20 . 1 1 48 48 GLU H H 48 8.440 8.440 8.734 -0.294 25195 12872 1 20 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.719 -0.079 25195 12873 1 20 . 1 1 49 49 PRO C C 49 175.200 175.200 176.225 -1.025 25195 12874 1 20 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.363 -0.463 25195 12875 1 20 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.706 -0.006 25195 12876 1 20 . 1 1 50 50 HIS N N 50 119.000 119.000 118.508 0.492 25195 12877 1 20 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.722 -0.022 25195 12878 1 20 . 1 1 50 50 HIS C C 50 174.200 174.200 174.785 -0.585 25195 12879 1 20 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.889 0.512 25195 12880 1 20 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.988 -2.888 25195 12881 1 20 . 1 1 50 50 HIS H H 50 9.160 9.160 8.517 0.643 25195 12882 1 20 . 1 1 51 51 VAL N N 51 128.400 128.400 126.126 2.274 25195 12883 1 20 . 1 1 51 51 VAL HA H 51 4.240 4.240 3.959 0.281 25195 12884 1 20 . 1 1 51 51 VAL C C 51 175.600 175.600 175.015 0.585 25195 12885 1 20 . 1 1 51 51 VAL CA C 51 62.200 62.200 63.039 -0.839 25195 12886 1 20 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.077 1.123 25195 12887 1 20 . 1 1 51 51 VAL H H 51 8.760 8.760 8.730 0.030 25195 12888 1 20 . 1 1 52 52 ILE N N 52 129.400 129.400 129.226 0.174 25195 12889 1 20 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.270 -0.050 25195 12890 1 20 . 1 1 52 52 ILE C C 52 176.500 176.500 174.744 1.756 25195 12891 1 20 . 1 1 52 52 ILE CA C 52 60.300 60.300 59.334 0.966 25195 12892 1 20 . 1 1 52 52 ILE CB C 52 38.200 38.200 38.922 -0.722 25195 12893 1 20 . 1 1 52 52 ILE H H 52 9.000 9.000 8.671 0.329 25195 12894 1 20 . 1 1 53 53 GLU N N 53 129.900 129.900 126.239 3.661 25195 12895 1 20 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.609 0.521 25195 12896 1 20 . 1 1 53 53 GLU C C 53 174.200 174.200 174.951 -0.751 25195 12897 1 20 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.172 0.728 25195 12898 1 20 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.909 -1.609 25195 12899 1 20 . 1 1 53 53 GLU H H 53 9.180 9.180 8.461 0.719 25195 12900 1 20 . 1 1 54 54 TYR N N 54 124.200 124.200 123.889 0.311 25195 12901 1 20 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.717 0.483 25195 12902 1 20 . 1 1 54 54 TYR C C 54 174.200 174.200 175.863 -1.663 25195 12903 1 20 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.282 -3.182 25195 12904 1 20 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.349 -2.349 25195 12905 1 20 . 1 1 54 54 TYR H H 54 8.460 8.460 8.506 -0.046 25195 12906 1 20 . 1 1 55 55 MET N N 55 121.900 121.900 122.909 -1.009 25195 12907 1 20 . 1 1 55 55 MET H H 55 7.660 7.660 8.586 -0.926 25195 12908 1 20 . 1 1 56 56 LYS C C 56 176.700 176.700 175.905 0.795 25195 12909 1 20 . 1 1 56 56 LYS CA C 56 56.900 56.900 57.745 -0.845 25195 12910 1 20 . 1 1 56 56 LYS CB C 56 29.200 29.200 32.665 -3.465 25195 12911 1 20 . 1 1 57 57 THR N N 57 114.700 114.700 118.719 -4.019 25195 12912 1 20 . 1 1 57 57 THR HA H 57 4.720 4.720 4.619 0.101 25195 12913 1 20 . 1 1 57 57 THR CB C 57 70.500 70.500 68.076 2.424 25195 12914 1 20 . 1 1 57 57 THR H H 57 7.940 7.940 8.082 -0.142 25195 12915 1 20 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.521 0.179 25195 12916 1 20 . 1 1 58 58 PRO C C 58 177.400 177.400 176.585 0.815 25195 12917 1 20 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.734 0.066 25195 12918 1 20 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.047 0.552 25195 12919 1 20 . 1 1 59 59 LEU N N 59 125.300 125.300 127.048 -1.748 25195 12920 1 20 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.699 -0.119 25195 12921 1 20 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.931 0.369 25195 12922 1 20 . 1 1 59 59 LEU H H 59 8.760 8.760 8.119 0.641 25195 12923 1 20 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.595 -0.085 25195 12924 1 20 . 1 1 60 60 PRO C C 60 178.400 178.400 177.304 1.096 25195 12925 1 20 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.191 -0.092 25195 12926 1 20 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.657 -0.357 25195 12927 1 20 . 1 1 61 61 ARG N N 61 125.800 125.800 121.361 4.439 25195 12928 1 20 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.854 -0.154 25195 12929 1 20 . 1 1 61 61 ARG C C 61 177.800 177.800 177.727 0.073 25195 12930 1 20 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.995 0.805 25195 12931 1 20 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.405 0.995 25195 12932 1 20 . 1 1 61 61 ARG H H 61 8.980 8.980 8.761 0.219 25195 12933 1 20 . 1 1 62 62 ASP N N 62 113.300 113.300 119.776 -6.476 25195 12934 1 20 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.400 -0.160 25195 12935 1 20 . 1 1 62 62 ASP C C 62 179.100 179.100 178.502 0.598 25195 12936 1 20 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.053 -0.053 25195 12937 1 20 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.272 -0.572 25195 12938 1 20 . 1 1 62 62 ASP H H 62 8.820 8.820 8.699 0.121 25195 12939 1 20 . 1 1 63 63 MET N N 63 118.800 118.800 118.013 0.787 25195 12940 1 20 . 1 1 63 63 MET HA H 63 4.460 4.460 4.474 -0.014 25195 12941 1 20 . 1 1 63 63 MET C C 63 177.700 177.700 178.729 -1.029 25195 12942 1 20 . 1 1 63 63 MET CA C 63 57.200 57.200 57.494 -0.294 25195 12943 1 20 . 1 1 63 63 MET CB C 63 32.500 32.500 32.148 0.352 25195 12944 1 20 . 1 1 63 63 MET H H 63 7.340 7.340 7.385 -0.045 25195 12945 1 20 . 1 1 64 64 LEU N N 64 121.000 121.000 122.453 -1.453 25195 12946 1 20 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.024 -0.064 25195 12947 1 20 . 1 1 64 64 LEU C C 64 178.000 178.000 178.304 -0.304 25195 12948 1 20 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.347 -0.047 25195 12949 1 20 . 1 1 64 64 LEU CB C 64 41.400 41.400 42.104 -0.704 25195 12950 1 20 . 1 1 64 64 LEU H H 64 7.570 7.570 8.205 -0.635 25195 12951 1 20 . 1 1 65 65 VAL N N 65 117.200 117.200 119.779 -2.579 25195 12952 1 20 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.555 -0.125 25195 12953 1 20 . 1 1 65 65 VAL C C 65 178.500 178.500 177.355 1.145 25195 12954 1 20 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.414 1.186 25195 12955 1 20 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.973 0.027 25195 12956 1 20 . 1 1 65 65 VAL H H 65 8.250 8.250 8.757 -0.507 25195 12957 1 20 . 1 1 66 66 GLU N N 66 120.200 120.200 119.564 0.636 25195 12958 1 20 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.077 0.263 25195 12959 1 20 . 1 1 66 66 GLU C C 66 178.500 178.500 179.002 -0.502 25195 12960 1 20 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.184 -0.484 25195 12961 1 20 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.212 -0.012 25195 12962 1 20 . 1 1 66 66 GLU H H 66 7.510 7.510 8.088 -0.578 25195 12963 1 20 . 1 1 67 67 LEU N N 67 121.100 121.100 120.187 0.913 25195 12964 1 20 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.128 -0.138 25195 12965 1 20 . 1 1 67 67 LEU C C 67 179.400 179.400 179.221 0.179 25195 12966 1 20 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.489 0.911 25195 12967 1 20 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.194 -0.394 25195 12968 1 20 . 1 1 67 67 LEU H H 67 8.480 8.480 7.683 0.797 25195 12969 1 20 . 1 1 68 68 LEU N N 68 118.500 118.500 117.570 0.930 25195 12970 1 20 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.258 -0.478 25195 12971 1 20 . 1 1 68 68 LEU C C 68 179.100 179.100 178.352 0.748 25195 12972 1 20 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.709 0.991 25195 12973 1 20 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.491 -0.091 25195 12974 1 20 . 1 1 68 68 LEU H H 68 8.250 8.250 8.444 -0.194 25195 12975 1 20 . 1 1 69 69 ARG N N 69 119.200 119.200 118.152 1.048 25195 12976 1 20 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.326 -0.276 25195 12977 1 20 . 1 1 69 69 ARG C C 69 180.400 180.400 178.332 2.068 25195 12978 1 20 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.333 1.167 25195 12979 1 20 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.832 0.268 25195 12980 1 20 . 1 1 69 69 ARG H H 69 7.950 7.950 8.129 -0.179 25195 12981 1 20 . 1 1 70 70 GLN N N 70 118.500 118.500 117.494 1.006 25195 12982 1 20 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.134 -0.104 25195 12983 1 20 . 1 1 70 70 GLN C C 70 179.900 179.900 178.067 1.833 25195 12984 1 20 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.673 1.227 25195 12985 1 20 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.697 0.703 25195 12986 1 20 . 1 1 70 70 GLN H H 70 8.450 8.450 7.754 0.696 25195 12987 1 20 . 1 1 71 71 MET N N 71 117.500 117.500 118.064 -0.564 25195 12988 1 20 . 1 1 71 71 MET HA H 71 4.140 4.140 4.123 0.017 25195 12989 1 20 . 1 1 71 71 MET C C 71 175.200 175.200 176.778 -1.578 25195 12990 1 20 . 1 1 71 71 MET CA C 71 58.200 58.200 58.492 -0.292 25195 12991 1 20 . 1 1 71 71 MET CB C 71 36.200 36.200 33.078 3.122 25195 12992 1 20 . 1 1 71 71 MET H H 71 8.380 8.380 7.855 0.525 25195 12993 1 20 . 1 1 72 72 ALA N N 72 120.400 120.400 117.599 2.801 25195 12994 1 20 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.537 -0.506 25195 12995 1 20 . 1 1 72 72 ALA C C 72 176.600 176.600 176.944 -0.344 25195 12996 1 20 . 1 1 72 72 ALA CA C 72 52.800 52.800 51.995 0.805 25195 12997 1 20 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.790 -5.290 25195 12998 1 20 . 1 1 72 72 ALA H H 72 8.100 8.100 7.483 0.617 25195 12999 1 20 . 1 1 73 73 ILE N N 73 108.600 108.600 115.122 -6.522 25195 13000 1 20 . 1 1 73 73 ILE C C 73 174.700 174.700 174.614 0.086 25195 13001 1 20 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.674 0.226 25195 13002 1 20 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.200 2.400 25195 13003 1 20 . 1 1 73 73 ILE H H 73 7.240 7.240 7.896 -0.656 25195 13004 1 20 . 1 1 74 74 SER N N 74 116.500 116.500 117.900 -1.400 25195 13005 1 20 . 1 1 74 74 SER HA H 74 4.780 4.780 4.551 0.229 25195 13006 1 20 . 1 1 74 74 SER CA C 74 55.900 55.900 58.814 -2.914 25195 13007 1 20 . 1 1 74 74 SER CB C 74 63.500 63.500 63.068 0.432 25195 13008 1 20 . 1 1 74 74 SER H H 74 8.290 8.290 8.609 -0.319 25195 13009 1 20 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.369 0.391 25195 13010 1 20 . 1 1 75 75 PRO C C 75 178.200 178.200 178.055 0.145 25195 13011 1 20 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.734 0.866 25195 13012 1 20 . 1 1 75 75 PRO CB C 75 32.100 32.100 32.032 0.068 25195 13013 1 20 . 1 1 76 76 ARG N N 76 114.400 114.400 119.854 -5.454 25195 13014 1 20 . 1 1 76 76 ARG C C 76 178.100 178.100 176.162 1.938 25195 13015 1 20 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.814 1.186 25195 13016 1 20 . 1 1 76 76 ARG CB C 76 29.400 29.400 30.401 -1.001 25195 13017 1 20 . 1 1 76 76 ARG H H 76 8.340 8.340 8.105 0.235 25195 13018 1 20 . 1 1 77 77 ALA N N 77 119.400 119.400 118.810 0.590 25195 13019 1 20 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.505 -0.275 25195 13020 1 20 . 1 1 77 77 ALA C C 77 178.100 178.100 176.626 1.474 25195 13021 1 20 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.385 2.415 25195 13022 1 20 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.534 0.066 25195 13023 1 20 . 1 1 77 77 ALA H H 77 7.720 7.720 7.585 0.135 25195 13024 1 20 . 1 1 78 78 LEU N N 78 119.400 119.400 120.179 -0.779 25195 13025 1 20 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.467 -0.087 25195 13026 1 20 . 1 1 78 78 LEU C C 78 174.800 174.800 176.302 -1.502 25195 13027 1 20 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.350 -2.450 25195 13028 1 20 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.698 0.402 25195 13029 1 20 . 1 1 78 78 LEU H H 78 7.610 7.610 7.599 0.011 25195 13030 1 20 . 1 1 79 79 LEU N N 79 118.700 118.700 120.469 -1.769 25195 13031 1 20 . 1 1 79 79 LEU HA H 79 4.650 4.650 4.126 0.524 25195 13032 1 20 . 1 1 79 79 LEU C C 79 178.900 178.900 176.825 2.075 25195 13033 1 20 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.898 0.202 25195 13034 1 20 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.042 5.558 25195 13035 1 20 . 1 1 79 79 LEU H H 79 7.220 7.220 7.819 -0.599 25195 13036 1 20 . 1 1 80 80 ARG N N 80 124.000 124.000 125.359 -1.359 25195 13037 1 20 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.095 0.125 25195 13038 1 20 . 1 1 80 80 ARG C C 80 174.800 174.800 176.948 -2.148 25195 13039 1 20 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.720 -0.520 25195 13040 1 20 . 1 1 80 80 ARG CB C 80 30.700 30.700 31.330 -0.630 25195 13041 1 20 . 1 1 80 80 ARG H H 80 8.780 8.780 7.916 0.864 25195 13042 1 20 . 1 1 81 81 ALA N N 81 124.400 124.400 123.002 1.398 25195 13043 1 20 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.208 -1.718 25195 13044 1 20 . 1 1 81 81 ALA C C 81 177.600 177.600 178.725 -1.125 25195 13045 1 20 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.651 -1.951 25195 13046 1 20 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.927 -0.327 25195 13047 1 20 . 1 1 81 81 ALA H H 81 7.420 7.420 8.474 -1.054 25195 13048 1 20 . 1 1 82 82 LYS N N 82 114.500 114.500 117.581 -3.081 25195 13049 1 20 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.024 0.226 25195 13050 1 20 . 1 1 82 82 LYS C C 82 177.700 177.700 178.282 -0.582 25195 13051 1 20 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.091 -2.291 25195 13052 1 20 . 1 1 82 82 LYS CB C 82 31.400 31.400 31.934 -0.534 25195 13053 1 20 . 1 1 82 82 LYS H H 82 8.190 8.190 8.537 -0.347 25195 13054 1 20 . 1 1 83 83 GLU N N 83 118.700 118.700 119.881 -1.181 25195 13055 1 20 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.364 -0.164 25195 13056 1 20 . 1 1 83 83 GLU CA C 83 55.800 55.800 55.530 0.270 25195 13057 1 20 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.691 1.609 25195 13058 1 20 . 1 1 83 83 GLU H H 83 7.120 7.120 7.817 -0.697 25195 13059 1 20 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.904 0.306 25195 13060 1 20 . 1 1 84 84 ALA C C 84 180.900 180.900 179.156 1.744 25195 13061 1 20 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.807 -0.107 25195 13062 1 20 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.668 -0.868 25195 13063 1 20 . 1 1 85 85 ARG N N 85 115.800 115.800 118.547 -2.747 25195 13064 1 20 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.968 0.092 25195 13065 1 20 . 1 1 85 85 ARG C C 85 178.200 178.200 178.372 -0.172 25195 13066 1 20 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.691 -1.791 25195 13067 1 20 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.432 0.468 25195 13068 1 20 . 1 1 85 85 ARG H H 85 9.280 9.280 8.220 1.060 25195 13069 1 20 . 1 1 86 86 TYR N N 86 118.300 118.300 120.274 -1.974 25195 13070 1 20 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.067 -0.227 25195 13071 1 20 . 1 1 86 86 TYR C C 86 176.500 176.500 176.579 -0.079 25195 13072 1 20 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.659 -0.459 25195 13073 1 20 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.761 0.439 25195 13074 1 20 . 1 1 86 86 TYR H H 86 7.270 7.270 8.708 -1.438 25195 13075 1 20 . 1 1 87 87 ALA N N 87 120.500 120.500 119.786 0.714 25195 13076 1 20 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.530 0.810 25195 13077 1 20 . 1 1 87 87 ALA C C 87 181.900 181.900 179.675 2.225 25195 13078 1 20 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.215 0.185 25195 13079 1 20 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.932 0.468 25195 13080 1 20 . 1 1 87 87 ALA H H 87 7.110 7.110 7.608 -0.498 25195 13081 1 20 . 1 1 88 88 GLU N N 88 119.500 119.500 118.807 0.693 25195 13082 1 20 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.019 -0.039 25195 13083 1 20 . 1 1 88 88 GLU C C 88 178.800 178.800 178.616 0.184 25195 13084 1 20 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.633 0.667 25195 13085 1 20 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.742 0.758 25195 13086 1 20 . 1 1 88 88 GLU H H 88 8.240 8.240 7.779 0.461 25195 13087 1 20 . 1 1 89 89 LEU N N 89 115.100 115.100 117.326 -2.226 25195 13088 1 20 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.231 0.049 25195 13089 1 20 . 1 1 89 89 LEU C C 89 176.900 176.900 177.299 -0.399 25195 13090 1 20 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.521 -1.021 25195 13091 1 20 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.340 0.459 25195 13092 1 20 . 1 1 89 89 LEU H H 89 7.430 7.430 7.940 -0.510 25195 13093 1 20 . 1 1 90 90 GLY N N 90 108.200 108.200 106.155 2.045 25195 13094 1 20 . 1 1 90 90 GLY C C 90 176.900 176.900 175.710 1.190 25195 13095 1 20 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.528 1.472 25195 13096 1 20 . 1 1 90 90 GLY H H 90 7.690 7.690 7.404 0.286 25195 13097 1 20 . 1 1 91 91 LEU N N 91 113.000 113.000 120.201 -7.201 25195 13098 1 20 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.015 -0.245 25195 13099 1 20 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.028 -1.328 25195 13100 1 20 . 1 1 91 91 LEU CB C 91 39.300 39.300 40.806 -1.506 25195 13101 1 20 . 1 1 91 91 LEU H H 91 7.000 7.000 7.478 -0.478 25195 13102 1 20 . 1 1 92 92 ASP N N 92 117.000 117.000 118.009 -1.009 25195 13103 1 20 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.470 -0.030 25195 13104 1 20 . 1 1 92 92 ASP C C 92 175.400 175.400 176.155 -0.755 25195 13105 1 20 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.190 -0.390 25195 13106 1 20 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.501 0.199 25195 13107 1 20 . 1 1 92 92 ASP H H 92 8.510 8.510 7.809 0.701 25195 13108 1 20 . 1 1 93 93 ASP N N 93 120.600 120.600 120.687 -0.087 25195 13109 1 20 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.510 0.070 25195 13110 1 20 . 1 1 93 93 ASP C C 93 176.000 176.000 176.637 -0.637 25195 13111 1 20 . 1 1 93 93 ASP CA C 93 52.100 52.100 54.492 -2.392 25195 13112 1 20 . 1 1 93 93 ASP CB C 93 41.500 41.500 40.950 0.550 25195 13113 1 20 . 1 1 93 93 ASP H H 93 7.000 7.000 7.519 -0.519 25195 13114 1 20 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.316 -0.016 25195 13115 1 20 . 1 1 94 94 PRO C C 94 178.100 178.100 175.851 2.249 25195 13116 1 20 . 1 1 94 94 PRO CA C 94 63.800 63.800 63.955 -0.155 25195 13117 1 20 . 1 1 94 94 PRO CB C 94 32.200 32.200 32.214 -0.014 25195 13118 1 20 . 1 1 95 95 ALA N N 95 121.900 121.900 119.567 2.333 25195 13119 1 20 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.555 -0.285 25195 13120 1 20 . 1 1 95 95 ALA C C 95 178.400 178.400 177.358 1.042 25195 13121 1 20 . 1 1 95 95 ALA CA C 95 52.500 52.500 51.282 1.218 25195 13122 1 20 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.802 0.399 25195 13123 1 20 . 1 1 95 95 ALA H H 95 8.610 8.610 7.809 0.801 25195 13124 1 20 . 1 1 96 96 LEU N N 96 117.600 117.600 118.049 -0.449 25195 13125 1 20 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.247 -0.077 25195 13126 1 20 . 1 1 96 96 LEU C C 96 177.600 177.600 176.231 1.369 25195 13127 1 20 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.090 0.410 25195 13128 1 20 . 1 1 96 96 LEU CB C 96 42.400 42.400 41.901 0.499 25195 13129 1 20 . 1 1 96 96 LEU H H 96 7.010 7.010 7.324 -0.314 25195 13130 1 20 . 1 1 97 97 SER N N 97 119.200 119.200 114.352 4.848 25195 13131 1 20 . 1 1 97 97 SER HA H 97 4.360 4.360 4.765 -0.405 25195 13132 1 20 . 1 1 97 97 SER C C 97 174.400 174.400 174.852 -0.452 25195 13133 1 20 . 1 1 97 97 SER CA C 97 57.300 57.300 57.404 -0.103 25195 13134 1 20 . 1 1 97 97 SER CB C 97 64.900 64.900 65.927 -1.027 25195 13135 1 20 . 1 1 97 97 SER H H 97 8.620 8.620 8.146 0.474 25195 13136 1 20 . 1 1 98 98 ASP N N 98 122.000 122.000 125.374 -3.374 25195 13137 1 20 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.311 -0.041 25195 13138 1 20 . 1 1 98 98 ASP C C 98 178.100 178.100 177.979 0.121 25195 13139 1 20 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.691 0.110 25195 13140 1 20 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.593 -0.493 25195 13141 1 20 . 1 1 98 98 ASP H H 98 9.050 9.050 8.964 0.086 25195 13142 1 20 . 1 1 99 99 GLU N N 99 116.100 116.100 119.967 -3.867 25195 13143 1 20 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.164 -0.374 25195 13144 1 20 . 1 1 99 99 GLU C C 99 176.800 176.800 178.639 -1.839 25195 13145 1 20 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.491 0.409 25195 13146 1 20 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.244 -0.044 25195 13147 1 20 . 1 1 99 99 GLU H H 99 8.250 8.250 8.512 -0.262 25195 13148 1 20 . 1 1 100 100 VAL N N 100 118.000 118.000 118.144 -0.144 25195 13149 1 20 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.833 -0.023 25195 13150 1 20 . 1 1 100 100 VAL C C 100 179.200 179.200 178.301 0.899 25195 13151 1 20 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.119 0.481 25195 13152 1 20 . 1 1 100 100 VAL CB C 100 31.400 31.400 30.579 0.821 25195 13153 1 20 . 1 1 100 100 VAL H H 100 7.290 7.290 7.982 -0.692 25195 13154 1 20 . 1 1 101 101 LEU N N 101 120.100 120.100 120.700 -0.600 25195 13155 1 20 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.000 -0.050 25195 13156 1 20 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.130 -0.030 25195 13157 1 20 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.794 0.706 25195 13158 1 20 . 1 1 101 101 LEU H H 101 7.610 7.610 7.948 -0.338 25195 13159 1 20 . 1 1 102 102 ILE N N 102 118.900 118.900 120.272 -1.372 25195 13160 1 20 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.569 -0.149 25195 13161 1 20 . 1 1 102 102 ILE C C 102 177.700 177.700 177.746 -0.046 25195 13162 1 20 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.508 -0.108 25195 13163 1 20 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.709 0.791 25195 13164 1 20 . 1 1 102 102 ILE H H 102 8.260 8.260 8.218 0.042 25195 13165 1 20 . 1 1 103 103 ASP N N 103 118.000 118.000 119.805 -1.805 25195 13166 1 20 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.262 0.058 25195 13167 1 20 . 1 1 103 103 ASP C C 103 179.400 179.400 178.450 0.950 25195 13168 1 20 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.719 0.081 25195 13169 1 20 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.683 -0.583 25195 13170 1 20 . 1 1 103 103 ASP H H 103 8.080 8.080 8.306 -0.226 25195 13171 1 20 . 1 1 104 104 ALA N N 104 121.500 121.500 121.699 -0.199 25195 13172 1 20 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.061 0.009 25195 13173 1 20 . 1 1 104 104 ALA C C 104 179.900 179.900 179.244 0.656 25195 13174 1 20 . 1 1 104 104 ALA CA C 104 55.400 55.400 55.065 0.335 25195 13175 1 20 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.753 -1.053 25195 13176 1 20 . 1 1 104 104 ALA H H 104 8.210 8.210 7.850 0.360 25195 13177 1 20 . 1 1 105 105 MET N N 105 115.800 115.800 118.888 -3.088 25195 13178 1 20 . 1 1 105 105 MET HA H 105 3.940 3.940 4.060 -0.120 25195 13179 1 20 . 1 1 105 105 MET C C 105 176.700 176.700 178.140 -1.440 25195 13180 1 20 . 1 1 105 105 MET CA C 105 59.500 59.500 59.307 0.193 25195 13181 1 20 . 1 1 105 105 MET CB C 105 35.400 35.400 33.136 2.264 25195 13182 1 20 . 1 1 105 105 MET H H 105 7.520 7.520 7.704 -0.184 25195 13183 1 20 . 1 1 106 106 ILE N N 106 118.100 118.100 116.335 1.765 25195 13184 1 20 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.835 0.185 25195 13185 1 20 . 1 1 106 106 ILE C C 106 178.200 178.200 177.681 0.519 25195 13186 1 20 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.510 -1.510 25195 13187 1 20 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.586 0.114 25195 13188 1 20 . 1 1 106 106 ILE H H 106 7.730 7.730 8.600 -0.870 25195 13189 1 20 . 1 1 107 107 SER N N 107 112.400 112.400 113.889 -1.489 25195 13190 1 20 . 1 1 107 107 SER HA H 107 4.340 4.340 4.376 -0.036 25195 13191 1 20 . 1 1 107 107 SER C C 107 174.800 174.800 175.094 -0.294 25195 13192 1 20 . 1 1 107 107 SER CA C 107 60.400 60.400 59.807 0.593 25195 13193 1 20 . 1 1 107 107 SER CB C 107 64.000 64.000 64.128 -0.128 25195 13194 1 20 . 1 1 107 107 SER H H 107 8.160 8.160 7.664 0.496 25195 13195 1 20 . 1 1 108 108 ASN N N 108 116.400 116.400 119.887 -3.487 25195 13196 1 20 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.951 0.339 25195 13197 1 20 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.205 -1.105 25195 13198 1 20 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.627 1.573 25195 13199 1 20 . 1 1 108 108 ASN H H 108 7.700 7.700 7.781 -0.081 25195 13200 1 20 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.328 0.442 25195 13201 1 20 . 1 1 109 109 PRO CA C 109 65.800 65.800 65.013 0.787 25195 13202 1 20 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.780 0.420 25195 13203 1 20 . 1 1 110 110 VAL N N 110 119.100 119.100 118.752 0.348 25195 13204 1 20 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.847 0.203 25195 13205 1 20 . 1 1 110 110 VAL C C 110 175.200 175.200 176.347 -1.147 25195 13206 1 20 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.539 1.061 25195 13207 1 20 . 1 1 110 110 VAL CB C 110 31.200 31.200 31.074 0.126 25195 13208 1 20 . 1 1 110 110 VAL H H 110 8.280 8.280 8.026 0.254 25195 13209 1 20 . 1 1 111 111 LEU N N 111 115.200 115.200 111.639 3.561 25195 13210 1 20 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.269 0.131 25195 13211 1 20 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.789 2.411 25195 13212 1 20 . 1 1 111 111 LEU H H 111 8.420 8.420 7.232 1.188 25195 13213 1 20 . 1 1 112 112 MET N N 112 118.900 118.900 120.318 -1.418 25195 13214 1 20 . 1 1 112 112 MET HA H 112 4.060 4.060 4.209 -0.149 25195 13215 1 20 . 1 1 112 112 MET CA C 112 56.500 56.500 56.844 -0.344 25195 13216 1 20 . 1 1 112 112 MET CB C 112 35.600 35.600 31.950 3.650 25195 13217 1 20 . 1 1 112 112 MET H H 112 7.940 7.940 7.676 0.264 25195 13218 1 20 . 1 1 113 113 ASN N N 113 125.800 125.800 123.476 2.324 25195 13219 1 20 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.819 -0.179 25195 13220 1 20 . 1 1 113 113 ASN C C 113 170.700 170.700 176.221 -5.521 25195 13221 1 20 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.151 -0.951 25195 13222 1 20 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.663 -1.763 25195 13223 1 20 . 1 1 113 113 ASN H H 113 9.140 9.140 8.327 0.813 25195 13224 1 20 . 1 1 114 114 ARG N N 114 113.200 113.200 120.347 -7.147 25195 13225 1 20 . 1 1 114 114 ARG CA C 114 53.800 53.800 59.300 -5.500 25195 13226 1 20 . 1 1 114 114 ARG CB C 114 30.800 30.800 29.561 1.239 25195 13227 1 20 . 1 1 114 114 ARG H H 114 7.970 7.970 8.291 -0.321 25195 13228 1 20 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.580 0.240 25195 13229 1 20 . 1 1 115 115 PRO C C 115 175.400 175.400 176.021 -0.621 25195 13230 1 20 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.265 0.335 25195 13231 1 20 . 1 1 115 115 PRO CB C 115 33.400 33.400 30.838 2.562 25195 13232 1 20 . 1 1 116 116 VAL N N 116 124.500 124.500 126.986 -2.486 25195 13233 1 20 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.397 0.683 25195 13234 1 20 . 1 1 116 116 VAL C C 116 174.500 174.500 174.499 0.001 25195 13235 1 20 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.577 0.923 25195 13236 1 20 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.990 -2.990 25195 13237 1 20 . 1 1 116 116 VAL H H 116 7.840 7.840 8.854 -1.014 25195 13238 1 20 . 1 1 117 117 VAL N N 117 128.000 128.000 126.510 1.490 25195 13239 1 20 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.429 0.351 25195 13240 1 20 . 1 1 117 117 VAL CA C 117 61.000 61.000 61.288 -0.288 25195 13241 1 20 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.672 0.128 25195 13242 1 20 . 1 1 117 117 VAL H H 117 8.670 8.670 9.138 -0.468 25195 13243 1 20 . 1 1 118 118 VAL N N 118 125.700 125.700 129.054 -3.354 25195 13244 1 20 . 1 1 118 118 VAL C C 118 175.700 175.700 174.583 1.117 25195 13245 1 20 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.059 0.141 25195 13246 1 20 . 1 1 118 118 VAL CB C 118 35.000 35.000 31.481 3.519 25195 13247 1 20 . 1 1 118 118 VAL H H 118 9.110 9.110 9.256 -0.146 25195 13248 1 20 . 1 1 119 119 THR N N 119 118.500 118.500 118.614 -0.114 25195 13249 1 20 . 1 1 119 119 THR HA H 119 5.490 5.490 5.103 0.387 25195 13250 1 20 . 1 1 119 119 THR CA C 119 58.800 58.800 58.060 0.740 25195 13251 1 20 . 1 1 119 119 THR CB C 119 69.800 69.800 70.710 -0.910 25195 13252 1 20 . 1 1 119 119 THR H H 119 9.370 9.370 8.864 0.506 25195 13253 1 20 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.447 0.033 25195 13254 1 20 . 1 1 120 120 PRO C C 120 177.800 177.800 177.027 0.773 25195 13255 1 20 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.519 0.581 25195 13256 1 20 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.753 0.547 25195 13257 1 20 . 1 1 121 121 LYS N N 121 113.600 113.600 118.931 -5.331 25195 13258 1 20 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.481 -0.221 25195 13259 1 20 . 1 1 121 121 LYS C C 121 176.400 176.400 176.081 0.319 25195 13260 1 20 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.848 1.352 25195 13261 1 20 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.920 -0.121 25195 13262 1 20 . 1 1 121 121 LYS H H 121 8.360 8.360 7.989 0.371 25195 13263 1 20 . 1 1 122 122 GLY N N 122 108.400 108.400 106.794 1.606 25195 13264 1 20 . 1 1 122 122 GLY C C 122 169.500 169.500 171.877 -2.377 25195 13265 1 20 . 1 1 122 122 GLY CA C 122 45.100 45.100 44.899 0.201 25195 13266 1 20 . 1 1 122 122 GLY H H 122 7.900 7.900 7.646 0.254 25195 13267 1 20 . 1 1 123 123 VAL N N 123 117.100 117.100 119.533 -2.433 25195 13268 1 20 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.199 0.261 25195 13269 1 20 . 1 1 123 123 VAL C C 123 176.100 176.100 175.210 0.890 25195 13270 1 20 . 1 1 123 123 VAL CA C 123 60.000 60.000 61.376 -1.376 25195 13271 1 20 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.755 -0.955 25195 13272 1 20 . 1 1 123 123 VAL H H 123 8.080 8.080 8.471 -0.391 25195 13273 1 20 . 1 1 124 124 ARG N N 124 122.300 122.300 124.635 -2.335 25195 13274 1 20 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.591 0.069 25195 13275 1 20 . 1 1 124 124 ARG C C 124 174.800 174.800 174.459 0.341 25195 13276 1 20 . 1 1 124 124 ARG CA C 124 54.400 54.400 53.746 0.654 25195 13277 1 20 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.642 1.258 25195 13278 1 20 . 1 1 124 124 ARG H H 124 8.510 8.510 8.797 -0.287 25195 13279 1 20 . 1 1 125 125 LEU N N 125 125.500 125.500 122.309 3.191 25195 13280 1 20 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.215 0.385 25195 13281 1 20 . 1 1 125 125 LEU C C 125 176.500 176.500 177.831 -1.331 25195 13282 1 20 . 1 1 125 125 LEU CA C 125 54.700 54.700 56.247 -1.547 25195 13283 1 20 . 1 1 125 125 LEU CB C 125 40.900 40.900 42.314 -1.414 25195 13284 1 20 . 1 1 125 125 LEU H H 125 8.860 8.860 8.657 0.203 25195 13285 1 20 . 1 1 126 126 CYS N N 126 129.700 129.700 122.248 7.452 25195 13286 1 20 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.203 0.287 25195 13287 1 20 . 1 1 126 126 CYS C C 126 172.000 172.000 174.467 -2.467 25195 13288 1 20 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.373 0.527 25195 13289 1 20 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.810 -0.510 25195 13290 1 20 . 1 1 126 126 CYS H H 126 8.540 8.540 8.640 -0.100 25195 13291 1 20 . 1 1 127 127 ARG N N 127 117.500 117.500 118.950 -1.450 25195 13292 1 20 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.684 -0.494 25195 13293 1 20 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.449 -0.249 25195 13294 1 20 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.238 2.162 25195 13295 1 20 . 1 1 127 127 ARG H H 127 6.930 6.930 7.146 -0.216 25195 13296 1 20 . 1 1 128 128 PRO C C 128 177.100 177.100 177.032 0.068 25195 13297 1 20 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.466 0.734 25195 13298 1 20 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.926 2.374 25195 13299 1 20 . 1 1 129 129 ALA N N 129 124.000 124.000 121.098 2.902 25195 13300 1 20 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.011 -0.161 25195 13301 1 20 . 1 1 129 129 ALA C C 129 177.700 177.700 180.001 -2.301 25195 13302 1 20 . 1 1 129 129 ALA CA C 129 55.200 55.200 55.194 0.006 25195 13303 1 20 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.479 1.421 25195 13304 1 20 . 1 1 129 129 ALA H H 129 9.320 9.320 8.560 0.760 25195 13305 1 20 . 1 1 130 130 GLU N N 130 111.600 111.600 118.121 -6.521 25195 13306 1 20 . 1 1 130 130 GLU HA H 130 3.840 3.840 3.981 -0.141 25195 13307 1 20 . 1 1 130 130 GLU C C 130 178.200 178.200 179.080 -0.880 25195 13308 1 20 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.960 0.540 25195 13309 1 20 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.301 -1.201 25195 13310 1 20 . 1 1 130 130 GLU H H 130 9.490 9.490 8.768 0.722 25195 13311 1 20 . 1 1 131 131 THR N N 131 116.100 116.100 114.210 1.890 25195 13312 1 20 . 1 1 131 131 THR HA H 131 4.040 4.040 3.973 0.067 25195 13313 1 20 . 1 1 131 131 THR C C 131 175.800 175.800 176.651 -0.851 25195 13314 1 20 . 1 1 131 131 THR CA C 131 65.600 65.600 65.428 0.172 25195 13315 1 20 . 1 1 131 131 THR CB C 131 69.800 69.800 68.684 1.116 25195 13316 1 20 . 1 1 131 131 THR H H 131 7.940 7.940 7.547 0.393 25195 13317 1 20 . 1 1 132 132 VAL N N 132 119.200 119.200 122.017 -2.817 25195 13318 1 20 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.684 0.196 25195 13319 1 20 . 1 1 132 132 VAL C C 132 176.500 176.500 177.611 -1.111 25195 13320 1 20 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.684 -1.584 25195 13321 1 20 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.692 0.708 25195 13322 1 20 . 1 1 132 132 VAL H H 132 8.130 8.130 7.711 0.419 25195 13323 1 20 . 1 1 133 133 GLN N N 133 118.500 118.500 118.941 -0.441 25195 13324 1 20 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.032 -0.182 25195 13325 1 20 . 1 1 133 133 GLN C C 133 178.500 178.500 178.003 0.497 25195 13326 1 20 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.744 0.056 25195 13327 1 20 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.571 -0.571 25195 13328 1 20 . 1 1 133 133 GLN H H 133 7.690 7.690 7.852 -0.162 25195 13329 1 20 . 1 1 134 134 GLU N N 134 115.200 115.200 118.853 -3.653 25195 13330 1 20 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.151 -0.011 25195 13331 1 20 . 1 1 134 134 GLU C C 134 177.000 177.000 178.764 -1.764 25195 13332 1 20 . 1 1 134 134 GLU CA C 134 57.800 57.800 58.322 -0.522 25195 13333 1 20 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.853 0.047 25195 13334 1 20 . 1 1 134 134 GLU H H 134 7.620 7.620 7.967 -0.347 25195 13335 1 20 . 1 1 135 135 LEU N N 135 115.600 115.600 119.873 -4.273 25195 13336 1 20 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.190 0.030 25195 13337 1 20 . 1 1 135 135 LEU C C 135 176.100 176.100 177.001 -0.901 25195 13338 1 20 . 1 1 135 135 LEU CA C 135 53.800 53.800 55.988 -2.188 25195 13339 1 20 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.568 0.732 25195 13340 1 20 . 1 1 135 135 LEU H H 135 7.740 7.740 7.892 -0.152 25195 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 110 3.091 0.493 3.066 25195 2 1 1 "Average Difference" HA 118 0.330 -0.021 0.331 25195 3 1 1 "Average Difference" C 104 1.307 -0.127 1.307 25195 4 1 1 "Average Difference" CA 122 1.236 -0.130 1.234 25195 5 1 1 "Average Difference" CB 117 1.462 -0.250 1.447 25195 6 1 1 "Average Difference" HN 110 0.529 -0.025 0.531 25195 7 1 2 "Average Difference" N 110 3.364 0.645 3.316 25195 8 1 2 "Average Difference" HA 118 0.322 -0.043 0.321 25195 9 1 2 "Average Difference" C 104 1.265 -0.072 1.269 25195 10 1 2 "Average Difference" CA 122 1.232 -0.152 1.228 25195 11 1 2 "Average Difference" CB 117 1.551 -0.245 1.538 25195 12 1 2 "Average Difference" HN 110 0.505 -0.043 0.506 25195 13 1 3 "Average Difference" N 110 3.214 0.273 3.217 25195 14 1 3 "Average Difference" HA 118 0.356 -0.032 0.356 25195 15 1 3 "Average Difference" C 104 1.332 -0.104 1.334 25195 16 1 3 "Average Difference" CA 122 1.219 -0.085 1.221 25195 17 1 3 "Average Difference" CB 117 1.530 -0.148 1.529 25195 18 1 3 "Average Difference" HN 110 0.526 -0.034 0.527 25195 19 1 4 "Average Difference" N 110 3.376 0.416 3.366 25195 20 1 4 "Average Difference" HA 118 0.346 -0.047 0.344 25195 21 1 4 "Average Difference" C 104 1.265 -0.072 1.269 25195 22 1 4 "Average Difference" CA 122 1.226 -0.128 1.224 25195 23 1 4 "Average Difference" CB 117 1.592 -0.289 1.572 25195 24 1 4 "Average Difference" HN 110 0.529 -0.030 0.531 25195 25 1 5 "Average Difference" N 110 3.297 0.297 3.299 25195 26 1 5 "Average Difference" HA 118 0.345 -0.033 0.345 25195 27 1 5 "Average Difference" C 104 1.348 -0.072 1.353 25195 28 1 5 "Average Difference" CA 122 1.193 -0.123 1.191 25195 29 1 5 "Average Difference" CB 117 1.498 -0.165 1.496 25195 30 1 5 "Average Difference" HN 110 0.526 -0.022 0.528 25195 31 1 6 "Average Difference" N 110 3.178 0.339 3.175 25195 32 1 6 "Average Difference" HA 118 0.318 -0.038 0.317 25195 33 1 6 "Average Difference" C 104 1.382 -0.203 1.373 25195 34 1 6 "Average Difference" CA 122 1.189 -0.130 1.187 25195 35 1 6 "Average Difference" CB 117 1.660 -0.216 1.652 25195 36 1 6 "Average Difference" HN 110 0.511 -0.027 0.513 25195 37 1 7 "Average Difference" N 110 3.257 0.247 3.262 25195 38 1 7 "Average Difference" HA 118 0.331 -0.030 0.331 25195 39 1 7 "Average Difference" C 104 1.356 -0.180 1.350 25195 40 1 7 "Average Difference" CA 122 1.215 -0.095 1.217 25195 41 1 7 "Average Difference" CB 117 1.608 -0.120 1.610 25195 42 1 7 "Average Difference" HN 110 0.523 -0.075 0.520 25195 43 1 8 "Average Difference" N 110 3.286 0.247 3.291 25195 44 1 8 "Average Difference" HA 118 0.334 -0.034 0.334 25195 45 1 8 "Average Difference" C 104 1.297 -0.121 1.297 25195 46 1 8 "Average Difference" CA 122 1.149 -0.109 1.149 25195 47 1 8 "Average Difference" CB 117 1.539 -0.167 1.536 25195 48 1 8 "Average Difference" HN 110 0.523 -0.035 0.524 25195 49 1 9 "Average Difference" N 110 3.077 -0.052 3.090 25195 50 1 9 "Average Difference" HA 118 0.345 -0.013 0.346 25195 51 1 9 "Average Difference" C 104 1.335 -0.167 1.331 25195 52 1 9 "Average Difference" CA 122 1.184 -0.135 1.181 25195 53 1 9 "Average Difference" CB 117 1.563 -0.171 1.560 25195 54 1 9 "Average Difference" HN 110 0.520 -0.052 0.520 25195 55 1 10 "Average Difference" N 110 3.228 0.554 3.194 25195 56 1 10 "Average Difference" HA 118 0.344 -0.034 0.344 25195 57 1 10 "Average Difference" C 104 1.366 -0.118 1.367 25195 58 1 10 "Average Difference" CA 122 1.172 -0.127 1.170 25195 59 1 10 "Average Difference" CB 117 1.578 -0.264 1.563 25195 60 1 10 "Average Difference" HN 110 0.511 0.001 0.513 25195 61 1 11 "Average Difference" N 110 3.190 0.273 3.193 25195 62 1 11 "Average Difference" HA 118 0.327 -0.026 0.327 25195 63 1 11 "Average Difference" C 104 1.327 -0.101 1.329 25195 64 1 11 "Average Difference" CA 122 1.233 -0.140 1.231 25195 65 1 11 "Average Difference" CB 117 1.548 -0.203 1.542 25195 66 1 11 "Average Difference" HN 110 0.531 -0.058 0.530 25195 67 1 12 "Average Difference" N 110 3.238 0.190 3.247 25195 68 1 12 "Average Difference" HA 118 0.347 -0.031 0.347 25195 69 1 12 "Average Difference" C 104 1.268 -0.127 1.268 25195 70 1 12 "Average Difference" CA 122 1.254 -0.101 1.255 25195 71 1 12 "Average Difference" CB 117 1.588 -0.235 1.577 25195 72 1 12 "Average Difference" HN 110 0.508 -0.049 0.508 25195 73 1 13 "Average Difference" N 110 3.243 0.354 3.238 25195 74 1 13 "Average Difference" HA 118 0.347 -0.020 0.348 25195 75 1 13 "Average Difference" C 104 1.292 -0.159 1.288 25195 76 1 13 "Average Difference" CA 122 1.107 -0.092 1.107 25195 77 1 13 "Average Difference" CB 117 1.579 -0.217 1.571 25195 78 1 13 "Average Difference" HN 110 0.506 -0.016 0.508 25195 79 1 14 "Average Difference" N 110 3.250 0.297 3.251 25195 80 1 14 "Average Difference" HA 118 0.359 -0.005 0.360 25195 81 1 14 "Average Difference" C 104 1.341 -0.148 1.339 25195 82 1 14 "Average Difference" CA 122 1.203 -0.077 1.206 25195 83 1 14 "Average Difference" CB 117 1.592 -0.148 1.592 25195 84 1 14 "Average Difference" HN 110 0.521 -0.009 0.524 25195 85 1 15 "Average Difference" N 110 3.247 0.025 3.262 25195 86 1 15 "Average Difference" HA 118 0.346 -0.015 0.347 25195 87 1 15 "Average Difference" C 104 1.252 -0.107 1.254 25195 88 1 15 "Average Difference" CA 122 1.245 -0.099 1.246 25195 89 1 15 "Average Difference" CB 117 1.535 -0.190 1.530 25195 90 1 15 "Average Difference" HN 110 0.521 -0.048 0.521 25195 91 1 16 "Average Difference" N 110 3.276 0.350 3.272 25195 92 1 16 "Average Difference" HA 118 0.350 -0.019 0.351 25195 93 1 16 "Average Difference" C 104 1.333 -0.100 1.335 25195 94 1 16 "Average Difference" CA 122 1.188 -0.113 1.188 25195 95 1 16 "Average Difference" CB 117 1.516 -0.221 1.507 25195 96 1 16 "Average Difference" HN 110 0.529 0.000 0.532 25195 97 1 17 "Average Difference" N 110 3.068 -0.040 3.082 25195 98 1 17 "Average Difference" HA 118 0.350 -0.011 0.352 25195 99 1 17 "Average Difference" C 104 1.360 -0.140 1.359 25195 100 1 17 "Average Difference" CA 122 1.213 -0.088 1.215 25195 101 1 17 "Average Difference" CB 117 1.673 -0.085 1.678 25195 102 1 17 "Average Difference" HN 110 0.531 -0.019 0.533 25195 103 1 18 "Average Difference" N 110 3.231 0.171 3.241 25195 104 1 18 "Average Difference" HA 118 0.326 -0.018 0.327 25195 105 1 18 "Average Difference" C 104 1.318 -0.101 1.321 25195 106 1 18 "Average Difference" CA 122 1.214 -0.134 1.211 25195 107 1 18 "Average Difference" CB 117 1.499 -0.260 1.482 25195 108 1 18 "Average Difference" HN 110 0.545 -0.041 0.546 25195 109 1 19 "Average Difference" N 110 3.165 0.081 3.179 25195 110 1 19 "Average Difference" HA 118 0.364 0.005 0.366 25195 111 1 19 "Average Difference" C 104 1.330 -0.149 1.328 25195 112 1 19 "Average Difference" CA 122 1.170 -0.106 1.170 25195 113 1 19 "Average Difference" CB 117 1.547 -0.172 1.544 25195 114 1 19 "Average Difference" HN 110 0.525 0.009 0.528 25195 115 1 20 "Average Difference" N 110 3.104 0.546 3.070 25195 116 1 20 "Average Difference" HA 118 0.311 -0.033 0.311 25195 117 1 20 "Average Difference" C 104 1.259 -0.034 1.265 25195 118 1 20 "Average Difference" CA 122 1.169 -0.089 1.170 25195 119 1 20 "Average Difference" CB 117 1.579 -0.264 1.564 25195 120 1 20 "Average Difference" HN 110 0.520 -0.026 0.522 25195 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 25195 _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 9 9 MET C C 9 176.700 176.700 174.871 1.829 25195 2 1 . 1 1 9 9 MET CA C 9 55.600 55.600 55.114 0.486 25195 3 1 . 1 1 9 9 MET CB C 9 32.700 32.700 35.068 -2.368 25195 4 1 . 1 1 10 10 GLY N N 10 109.800 109.800 109.827 -0.027 25195 5 1 . 1 1 10 10 GLY C C 10 174.400 174.400 173.142 1.258 25195 6 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.006 0.294 25195 7 1 . 1 1 10 10 GLY H H 10 8.480 8.480 8.759 -0.279 25195 8 1 . 1 1 11 11 THR N N 11 113.500 113.500 114.777 -1.277 25195 9 1 . 1 1 11 11 THR HA H 11 4.330 4.330 4.715 -0.385 25195 10 1 . 1 1 11 11 THR CA C 11 62.100 62.100 61.754 0.346 25195 11 1 . 1 1 11 11 THR CB C 11 69.900 69.900 70.161 -0.261 25195 12 1 . 1 1 11 11 THR H H 11 8.080 8.080 8.223 -0.143 25195 13 1 . 1 1 12 12 LEU N N 12 123.900 123.900 122.695 1.205 25195 14 1 . 1 1 12 12 LEU HA H 12 4.310 4.310 4.831 -0.521 25195 15 1 . 1 1 12 12 LEU C C 12 177.700 177.700 175.398 2.302 25195 16 1 . 1 1 12 12 LEU CA C 12 55.800 55.800 54.385 1.415 25195 17 1 . 1 1 12 12 LEU CB C 12 42.200 42.200 43.918 -1.718 25195 18 1 . 1 1 12 12 LEU H H 12 8.390 8.390 8.486 -0.096 25195 19 1 . 1 1 13 13 GLU N N 13 121.300 121.300 120.972 0.328 25195 20 1 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.717 -0.517 25195 21 1 . 1 1 13 13 GLU C C 13 176.500 176.500 174.953 1.547 25195 22 1 . 1 1 13 13 GLU CA C 13 57.100 57.100 55.783 1.317 25195 23 1 . 1 1 13 13 GLU CB C 13 29.900 29.900 31.093 -1.193 25195 24 1 . 1 1 13 13 GLU H H 13 8.430 8.430 8.584 -0.154 25195 25 1 . 1 1 14 14 ALA N N 14 124.100 124.100 123.793 0.307 25195 26 1 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.629 -0.359 25195 27 1 . 1 1 14 14 ALA C C 14 177.900 177.900 176.015 1.885 25195 28 1 . 1 1 14 14 ALA CA C 14 52.800 52.800 51.874 0.926 25195 29 1 . 1 1 14 14 ALA CB C 14 19.200 19.200 20.549 -1.349 25195 30 1 . 1 1 14 14 ALA H H 14 8.270 8.270 8.320 -0.050 25195 31 1 . 1 1 15 15 GLN N N 15 118.900 118.900 119.679 -0.779 25195 32 1 . 1 1 15 15 GLN HA H 15 4.240 4.240 4.567 -0.327 25195 33 1 . 1 1 15 15 GLN C C 15 176.500 176.500 174.790 1.710 25195 34 1 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.605 0.195 25195 35 1 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.262 -0.862 25195 36 1 . 1 1 15 15 GLN H H 15 8.360 8.360 8.530 -0.170 25195 37 1 . 1 1 16 16 THR N N 16 114.900 114.900 115.760 -0.860 25195 38 1 . 1 1 16 16 THR HA H 16 4.360 4.360 4.490 -0.130 25195 39 1 . 1 1 16 16 THR C C 16 174.600 174.600 173.815 0.785 25195 40 1 . 1 1 16 16 THR CA C 16 61.900 61.900 61.653 0.247 25195 41 1 . 1 1 16 16 THR CB C 16 69.800 69.800 69.928 -0.128 25195 42 1 . 1 1 16 16 THR H H 16 8.190 8.190 8.235 -0.045 25195 43 1 . 1 1 17 17 GLN N N 17 122.100 122.100 121.496 0.604 25195 44 1 . 1 1 17 17 GLN C C 17 176.100 176.100 175.516 0.584 25195 45 1 . 1 1 17 17 GLN CA C 17 55.700 55.700 55.940 -0.240 25195 46 1 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.733 -0.033 25195 47 1 . 1 1 17 17 GLN H H 17 8.440 8.440 8.509 -0.069 25195 48 1 . 1 1 18 18 GLY N N 18 110.100 110.100 109.922 0.178 25195 49 1 . 1 1 18 18 GLY CA C 18 44.700 44.700 44.478 0.222 25195 50 1 . 1 1 18 18 GLY H H 18 8.370 8.370 8.355 0.015 25195 51 1 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.495 -0.055 25195 52 1 . 1 1 19 19 PRO C C 19 177.700 177.700 177.011 0.689 25195 53 1 . 1 1 19 19 PRO CA C 19 63.700 63.700 62.668 1.032 25195 54 1 . 1 1 19 19 PRO CB C 19 32.400 32.400 32.264 0.136 25195 55 1 . 1 1 20 20 GLY N N 20 109.200 109.200 107.982 1.218 25195 56 1 . 1 1 20 20 GLY C C 20 174.400 174.400 174.378 0.022 25195 57 1 . 1 1 20 20 GLY CA C 20 45.400 45.400 44.993 0.407 25195 58 1 . 1 1 20 20 GLY H H 20 8.620 8.620 8.262 0.358 25195 59 1 . 1 1 21 21 SER N N 21 115.000 115.000 116.262 -1.262 25195 60 1 . 1 1 21 21 SER HA H 21 4.420 4.420 4.462 -0.042 25195 61 1 . 1 1 21 21 SER C C 21 174.600 174.600 174.355 0.245 25195 62 1 . 1 1 21 21 SER CA C 21 58.600 58.600 58.054 0.546 25195 63 1 . 1 1 21 21 SER CB C 21 64.100 64.100 63.367 0.733 25195 64 1 . 1 1 21 21 SER H H 21 8.180 8.180 8.392 -0.212 25195 65 1 . 1 1 22 22 MET N N 22 121.500 121.500 120.128 1.372 25195 66 1 . 1 1 22 22 MET HA H 22 4.440 4.440 4.512 -0.072 25195 67 1 . 1 1 22 22 MET C C 22 175.100 175.100 175.271 -0.172 25195 68 1 . 1 1 22 22 MET CA C 22 55.600 55.600 55.998 -0.398 25195 69 1 . 1 1 22 22 MET CB C 22 33.600 33.600 32.354 1.246 25195 70 1 . 1 1 22 22 MET H H 22 8.340 8.340 7.784 0.556 25195 71 1 . 1 1 23 23 ASP N N 23 123.000 123.000 123.803 -0.803 25195 72 1 . 1 1 23 23 ASP HA H 23 4.610 4.610 4.857 -0.247 25195 73 1 . 1 1 23 23 ASP CA C 23 54.800 54.800 53.832 0.968 25195 74 1 . 1 1 23 23 ASP CB C 23 41.700 41.700 41.499 0.201 25195 75 1 . 1 1 23 23 ASP H H 23 8.170 8.170 8.532 -0.362 25195 76 1 . 1 1 24 24 VAL N N 24 123.200 123.200 119.235 3.965 25195 77 1 . 1 1 24 24 VAL HA H 24 5.040 5.040 4.765 0.275 25195 78 1 . 1 1 24 24 VAL C C 24 174.900 174.900 174.632 0.268 25195 79 1 . 1 1 24 24 VAL CA C 24 60.900 60.900 60.559 0.341 25195 80 1 . 1 1 24 24 VAL CB C 24 35.100 35.100 34.547 0.553 25195 81 1 . 1 1 24 24 VAL H H 24 8.210 8.210 7.884 0.326 25195 82 1 . 1 1 25 25 THR N N 25 124.200 124.200 122.749 1.451 25195 83 1 . 1 1 25 25 THR HA H 25 5.310 5.310 4.869 0.441 25195 84 1 . 1 1 25 25 THR C C 25 172.300 172.300 173.106 -0.806 25195 85 1 . 1 1 25 25 THR CA C 25 61.800 61.800 61.200 0.600 25195 86 1 . 1 1 25 25 THR CB C 25 71.600 71.600 70.674 0.926 25195 87 1 . 1 1 25 25 THR H H 25 9.170 9.170 8.729 0.441 25195 88 1 . 1 1 26 26 ILE N N 26 122.500 122.500 123.484 -0.984 25195 89 1 . 1 1 26 26 ILE HA H 26 5.270 5.270 4.673 0.597 25195 90 1 . 1 1 26 26 ILE C C 26 172.200 172.200 174.232 -2.032 25195 91 1 . 1 1 26 26 ILE CA C 26 57.700 57.700 58.293 -0.593 25195 92 1 . 1 1 26 26 ILE CB C 26 42.300 42.300 40.319 1.981 25195 93 1 . 1 1 26 26 ILE H H 26 8.910 8.910 8.870 0.040 25195 94 1 . 1 1 27 27 TYR N N 27 129.400 129.400 123.868 5.532 25195 95 1 . 1 1 27 27 TYR HA H 27 5.180 5.180 5.440 -0.260 25195 96 1 . 1 1 27 27 TYR CA C 27 58.500 58.500 56.124 2.376 25195 97 1 . 1 1 27 27 TYR CB C 27 37.100 37.100 39.342 -2.243 25195 98 1 . 1 1 27 27 TYR H H 27 9.090 9.090 8.994 0.096 25195 99 1 . 1 1 29 29 ASN CB C 29 42.700 42.700 39.117 3.583 25195 100 1 . 1 1 30 30 PRO HA H 30 4.850 4.850 4.302 0.548 25195 101 1 . 1 1 30 30 PRO C C 30 177.000 177.000 175.698 1.302 25195 102 1 . 1 1 30 30 PRO CA C 30 64.200 64.200 62.978 1.222 25195 103 1 . 1 1 30 30 PRO CB C 30 32.700 32.700 30.749 1.951 25195 104 1 . 1 1 31 31 VAL N N 31 112.100 112.100 122.730 -10.630 25195 105 1 . 1 1 31 31 VAL HA H 31 4.160 4.160 4.297 -0.137 25195 106 1 . 1 1 31 31 VAL C C 31 175.000 175.000 175.331 -0.331 25195 107 1 . 1 1 31 31 VAL CA C 31 62.000 62.000 60.266 1.734 25195 108 1 . 1 1 31 31 VAL CB C 31 31.500 31.500 33.843 -2.343 25195 109 1 . 1 1 31 31 VAL H H 31 7.290 7.290 8.223 -0.933 25195 110 1 . 1 1 32 32 CYS N N 32 126.100 126.100 125.514 0.586 25195 111 1 . 1 1 32 32 CYS HA H 32 4.360 4.360 4.219 0.141 25195 112 1 . 1 1 32 32 CYS CA C 32 59.300 59.300 60.742 -1.442 25195 113 1 . 1 1 32 32 CYS CB C 32 31.200 31.200 28.117 3.083 25195 114 1 . 1 1 32 32 CYS H H 32 7.780 7.780 8.910 -1.130 25195 115 1 . 1 1 33 33 GLY C C 33 177.400 177.400 175.833 1.567 25195 116 1 . 1 1 33 33 GLY CA C 33 47.700 47.700 46.745 0.955 25195 117 1 . 1 1 34 34 THR N N 34 123.700 123.700 118.066 5.634 25195 118 1 . 1 1 34 34 THR HA H 34 4.250 4.250 3.977 0.273 25195 119 1 . 1 1 34 34 THR C C 34 175.600 175.600 176.286 -0.686 25195 120 1 . 1 1 34 34 THR CA C 34 67.600 67.600 66.440 1.160 25195 121 1 . 1 1 34 34 THR CB C 34 68.700 68.700 68.719 -0.019 25195 122 1 . 1 1 34 34 THR H H 34 9.110 9.110 8.022 1.088 25195 123 1 . 1 1 35 35 SER N N 35 123.600 123.600 117.411 6.189 25195 124 1 . 1 1 35 35 SER C C 35 177.900 177.900 176.537 1.363 25195 125 1 . 1 1 35 35 SER CA C 35 63.800 63.800 61.811 1.989 25195 126 1 . 1 1 35 35 SER CB C 35 63.800 63.800 63.077 0.723 25195 127 1 . 1 1 35 35 SER H H 35 9.530 9.530 8.278 1.252 25195 128 1 . 1 1 36 36 ARG N N 36 113.400 113.400 120.479 -7.079 25195 129 1 . 1 1 36 36 ARG HA H 36 4.000 4.000 4.103 -0.103 25195 130 1 . 1 1 36 36 ARG C C 36 179.200 179.200 178.493 0.707 25195 131 1 . 1 1 36 36 ARG CA C 36 61.300 61.300 58.812 2.488 25195 132 1 . 1 1 36 36 ARG CB C 36 31.300 31.300 29.887 1.413 25195 133 1 . 1 1 36 36 ARG H H 36 8.740 8.740 8.197 0.543 25195 134 1 . 1 1 37 37 LYS N N 37 121.900 121.900 120.654 1.246 25195 135 1 . 1 1 37 37 LYS HA H 37 4.140 4.140 4.082 0.058 25195 136 1 . 1 1 37 37 LYS C C 37 179.400 179.400 178.798 0.602 25195 137 1 . 1 1 37 37 LYS CA C 37 59.700 59.700 59.409 0.291 25195 138 1 . 1 1 37 37 LYS CB C 37 32.600 32.600 32.160 0.439 25195 139 1 . 1 1 37 37 LYS H H 37 7.980 7.980 7.884 0.096 25195 140 1 . 1 1 38 38 VAL N N 38 120.900 120.900 119.293 1.607 25195 141 1 . 1 1 38 38 VAL HA H 38 3.620 3.620 3.636 -0.016 25195 142 1 . 1 1 38 38 VAL C C 38 177.300 177.300 177.753 -0.453 25195 143 1 . 1 1 38 38 VAL CA C 38 67.300 67.300 66.564 0.736 25195 144 1 . 1 1 38 38 VAL CB C 38 31.900 31.900 31.552 0.348 25195 145 1 . 1 1 38 38 VAL H H 38 8.670 8.670 8.027 0.643 25195 146 1 . 1 1 39 39 LEU N N 39 120.200 120.200 119.709 0.491 25195 147 1 . 1 1 39 39 LEU C C 39 178.300 178.300 179.309 -1.009 25195 148 1 . 1 1 39 39 LEU CA C 39 58.600 58.600 57.805 0.795 25195 149 1 . 1 1 39 39 LEU CB C 39 41.600 41.600 41.033 0.567 25195 150 1 . 1 1 39 39 LEU H H 39 8.300 8.300 8.353 -0.053 25195 151 1 . 1 1 40 40 GLY N N 40 103.600 103.600 107.628 -4.028 25195 152 1 . 1 1 40 40 GLY C C 40 176.600 176.600 176.408 0.192 25195 153 1 . 1 1 40 40 GLY CA C 40 47.400 47.400 47.078 0.322 25195 154 1 . 1 1 40 40 GLY H H 40 8.050 8.050 8.181 -0.131 25195 155 1 . 1 1 41 41 MET N N 41 122.300 122.300 121.693 0.607 25195 156 1 . 1 1 41 41 MET HA H 41 4.030 4.030 4.191 -0.161 25195 157 1 . 1 1 41 41 MET C C 41 179.200 179.200 178.936 0.264 25195 158 1 . 1 1 41 41 MET CA C 41 59.900 59.900 58.088 1.812 25195 159 1 . 1 1 41 41 MET CB C 41 33.600 33.600 31.977 1.622 25195 160 1 . 1 1 41 41 MET H H 41 8.310 8.310 7.932 0.378 25195 161 1 . 1 1 42 42 ILE N N 42 120.600 120.600 119.541 1.059 25195 162 1 . 1 1 42 42 ILE HA H 42 3.540 3.540 3.575 -0.035 25195 163 1 . 1 1 42 42 ILE C C 42 177.600 177.600 177.977 -0.377 25195 164 1 . 1 1 42 42 ILE CA C 42 66.200 66.200 65.314 0.886 25195 165 1 . 1 1 42 42 ILE CB C 42 39.100 39.100 37.372 1.728 25195 166 1 . 1 1 42 42 ILE H H 42 8.260 8.260 8.233 0.027 25195 167 1 . 1 1 43 43 ARG N N 43 117.200 117.200 119.449 -2.249 25195 168 1 . 1 1 43 43 ARG C C 43 182.100 182.100 178.847 3.253 25195 169 1 . 1 1 43 43 ARG CA C 43 59.100 59.100 59.166 -0.066 25195 170 1 . 1 1 43 43 ARG CB C 43 29.400 29.400 30.075 -0.675 25195 171 1 . 1 1 43 43 ARG H H 43 7.810 7.810 8.180 -0.370 25195 172 1 . 1 1 44 44 GLU N N 44 122.200 122.200 118.105 4.095 25195 173 1 . 1 1 44 44 GLU HA H 44 4.050 4.050 4.178 -0.128 25195 174 1 . 1 1 44 44 GLU C C 44 177.600 177.600 177.821 -0.221 25195 175 1 . 1 1 44 44 GLU CA C 44 59.100 59.100 58.260 0.840 25195 176 1 . 1 1 44 44 GLU CB C 44 29.500 29.500 29.482 0.018 25195 177 1 . 1 1 44 44 GLU H H 44 8.670 8.670 8.039 0.631 25195 178 1 . 1 1 45 45 ALA N N 45 120.400 120.400 120.619 -0.219 25195 179 1 . 1 1 45 45 ALA HA H 45 4.420 4.420 4.181 0.239 25195 180 1 . 1 1 45 45 ALA C C 45 177.300 177.300 177.926 -0.626 25195 181 1 . 1 1 45 45 ALA CA C 45 52.500 52.500 52.920 -0.420 25195 182 1 . 1 1 45 45 ALA CB C 45 18.400 18.400 19.586 -1.186 25195 183 1 . 1 1 45 45 ALA H H 45 7.430 7.430 7.781 -0.351 25195 184 1 . 1 1 46 46 GLY N N 46 106.000 106.000 105.515 0.485 25195 185 1 . 1 1 46 46 GLY C C 46 173.800 173.800 173.548 0.252 25195 186 1 . 1 1 46 46 GLY CA C 46 45.300 45.300 44.701 0.599 25195 187 1 . 1 1 46 46 GLY H H 46 8.080 8.080 7.748 0.332 25195 188 1 . 1 1 47 47 ILE N N 47 121.500 121.500 119.444 2.056 25195 189 1 . 1 1 47 47 ILE HA H 47 4.100 4.100 4.384 -0.284 25195 190 1 . 1 1 47 47 ILE C C 47 174.100 174.100 174.101 -0.001 25195 191 1 . 1 1 47 47 ILE CA C 47 59.700 59.700 59.443 0.257 25195 192 1 . 1 1 47 47 ILE CB C 47 41.100 41.100 41.126 -0.026 25195 193 1 . 1 1 47 47 ILE H H 47 7.180 7.180 7.616 -0.436 25195 194 1 . 1 1 48 48 GLU N N 48 127.000 127.000 124.808 2.192 25195 195 1 . 1 1 48 48 GLU HA H 48 5.200 5.200 4.666 0.534 25195 196 1 . 1 1 48 48 GLU CA C 48 51.300 51.300 52.333 -1.033 25195 197 1 . 1 1 48 48 GLU CB C 48 29.400 29.400 30.481 -1.081 25195 198 1 . 1 1 48 48 GLU H H 48 8.440 8.440 8.643 -0.203 25195 199 1 . 1 1 49 49 PRO HA H 49 4.640 4.640 4.681 -0.041 25195 200 1 . 1 1 49 49 PRO C C 49 175.200 175.200 176.172 -0.972 25195 201 1 . 1 1 49 49 PRO CA C 49 61.900 61.900 62.460 -0.560 25195 202 1 . 1 1 49 49 PRO CB C 49 32.700 32.700 32.684 0.015 25195 203 1 . 1 1 50 50 HIS N N 50 119.000 119.000 120.055 -1.055 25195 204 1 . 1 1 50 50 HIS HA H 50 4.700 4.700 4.767 -0.067 25195 205 1 . 1 1 50 50 HIS C C 50 174.200 174.200 174.721 -0.521 25195 206 1 . 1 1 50 50 HIS CA C 50 55.400 55.400 54.864 0.536 25195 207 1 . 1 1 50 50 HIS CB C 50 29.100 29.100 31.532 -2.432 25195 208 1 . 1 1 50 50 HIS H H 50 9.160 9.160 8.473 0.687 25195 209 1 . 1 1 51 51 VAL N N 51 128.400 128.400 124.966 3.434 25195 210 1 . 1 1 51 51 VAL HA H 51 4.240 4.240 4.350 -0.110 25195 211 1 . 1 1 51 51 VAL C C 51 175.600 175.600 174.969 0.631 25195 212 1 . 1 1 51 51 VAL CA C 51 62.200 62.200 62.331 -0.131 25195 213 1 . 1 1 51 51 VAL CB C 51 32.200 32.200 31.887 0.313 25195 214 1 . 1 1 51 51 VAL H H 51 8.760 8.760 8.652 0.108 25195 215 1 . 1 1 52 52 ILE N N 52 129.400 129.400 128.929 0.471 25195 216 1 . 1 1 52 52 ILE HA H 52 4.220 4.220 4.421 -0.201 25195 217 1 . 1 1 52 52 ILE C C 52 176.500 176.500 174.856 1.644 25195 218 1 . 1 1 52 52 ILE CA C 52 60.300 60.300 60.218 0.081 25195 219 1 . 1 1 52 52 ILE CB C 52 38.200 38.200 40.297 -2.097 25195 220 1 . 1 1 52 52 ILE H H 52 9.000 9.000 8.791 0.209 25195 221 1 . 1 1 53 53 GLU N N 53 129.900 129.900 127.818 2.082 25195 222 1 . 1 1 53 53 GLU HA H 53 5.130 5.130 4.581 0.549 25195 223 1 . 1 1 53 53 GLU C C 53 174.200 174.200 175.325 -1.125 25195 224 1 . 1 1 53 53 GLU CA C 53 55.900 55.900 55.841 0.059 25195 225 1 . 1 1 53 53 GLU CB C 53 28.300 28.300 29.733 -1.433 25195 226 1 . 1 1 53 53 GLU H H 53 9.180 9.180 8.717 0.463 25195 227 1 . 1 1 54 54 TYR N N 54 124.200 124.200 126.036 -1.836 25195 228 1 . 1 1 54 54 TYR HA H 54 5.200 5.200 4.680 0.520 25195 229 1 . 1 1 54 54 TYR C C 54 174.200 174.200 174.523 -0.323 25195 230 1 . 1 1 54 54 TYR CA C 54 54.100 54.100 57.604 -3.504 25195 231 1 . 1 1 54 54 TYR CB C 54 38.000 38.000 40.188 -2.187 25195 232 1 . 1 1 54 54 TYR H H 54 8.460 8.460 8.355 0.105 25195 233 1 . 1 1 55 55 MET N N 55 121.900 121.900 123.071 -1.171 25195 234 1 . 1 1 55 55 MET H H 55 7.660 7.660 7.970 -0.310 25195 235 1 . 1 1 56 56 LYS C C 56 176.700 176.700 175.515 1.185 25195 236 1 . 1 1 56 56 LYS CA C 56 56.900 56.900 56.975 -0.075 25195 237 1 . 1 1 56 56 LYS CB C 56 29.200 29.200 32.629 -3.429 25195 238 1 . 1 1 57 57 THR N N 57 114.700 114.700 115.244 -0.544 25195 239 1 . 1 1 57 57 THR HA H 57 4.720 4.720 4.423 0.297 25195 240 1 . 1 1 57 57 THR CB C 57 70.500 70.500 68.827 1.673 25195 241 1 . 1 1 57 57 THR H H 57 7.940 7.940 8.066 -0.127 25195 242 1 . 1 1 58 58 PRO HA H 58 4.700 4.700 4.540 0.160 25195 243 1 . 1 1 58 58 PRO C C 58 177.400 177.400 175.916 1.484 25195 244 1 . 1 1 58 58 PRO CA C 58 62.800 62.800 62.893 -0.093 25195 245 1 . 1 1 58 58 PRO CB C 58 32.600 32.600 32.328 0.272 25195 246 1 . 1 1 59 59 LEU N N 59 125.300 125.300 122.402 2.898 25195 247 1 . 1 1 59 59 LEU HA H 59 4.580 4.580 4.772 -0.192 25195 248 1 . 1 1 59 59 LEU CB C 59 42.300 42.300 41.962 0.337 25195 249 1 . 1 1 59 59 LEU H H 59 8.760 8.760 8.105 0.655 25195 250 1 . 1 1 60 60 PRO HA H 60 4.510 4.510 4.632 -0.122 25195 251 1 . 1 1 60 60 PRO C C 60 178.400 178.400 177.666 0.734 25195 252 1 . 1 1 60 60 PRO CA C 60 62.100 62.100 62.161 -0.061 25195 253 1 . 1 1 60 60 PRO CB C 60 32.300 32.300 32.624 -0.324 25195 254 1 . 1 1 61 61 ARG N N 61 125.800 125.800 120.657 5.143 25195 255 1 . 1 1 61 61 ARG HA H 61 3.700 3.700 3.863 -0.163 25195 256 1 . 1 1 61 61 ARG C C 61 177.800 177.800 177.700 0.100 25195 257 1 . 1 1 61 61 ARG CA C 61 60.800 60.800 59.841 0.959 25195 258 1 . 1 1 61 61 ARG CB C 61 30.400 30.400 29.336 1.065 25195 259 1 . 1 1 61 61 ARG H H 61 8.980 8.980 8.761 0.219 25195 260 1 . 1 1 62 62 ASP N N 62 113.300 113.300 119.846 -6.546 25195 261 1 . 1 1 62 62 ASP HA H 62 4.240 4.240 4.369 -0.129 25195 262 1 . 1 1 62 62 ASP C C 62 179.100 179.100 178.520 0.580 25195 263 1 . 1 1 62 62 ASP CA C 62 57.000 57.000 57.248 -0.248 25195 264 1 . 1 1 62 62 ASP CB C 62 39.700 39.700 40.251 -0.551 25195 265 1 . 1 1 62 62 ASP H H 62 8.820 8.820 8.592 0.228 25195 266 1 . 1 1 63 63 MET N N 63 118.800 118.800 118.162 0.638 25195 267 1 . 1 1 63 63 MET HA H 63 4.460 4.460 4.239 0.221 25195 268 1 . 1 1 63 63 MET C C 63 177.700 177.700 178.715 -1.015 25195 269 1 . 1 1 63 63 MET CA C 63 57.200 57.200 57.833 -0.633 25195 270 1 . 1 1 63 63 MET CB C 63 32.500 32.500 31.969 0.531 25195 271 1 . 1 1 63 63 MET H H 63 7.340 7.340 7.787 -0.447 25195 272 1 . 1 1 64 64 LEU N N 64 121.000 121.000 121.008 -0.008 25195 273 1 . 1 1 64 64 LEU HA H 64 3.960 3.960 4.070 -0.110 25195 274 1 . 1 1 64 64 LEU C C 64 178.000 178.000 178.689 -0.689 25195 275 1 . 1 1 64 64 LEU CA C 64 58.300 58.300 58.198 0.102 25195 276 1 . 1 1 64 64 LEU CB C 64 41.400 41.400 41.725 -0.325 25195 277 1 . 1 1 64 64 LEU H H 64 7.570 7.570 8.103 -0.533 25195 278 1 . 1 1 65 65 VAL N N 65 117.200 117.200 119.885 -2.685 25195 279 1 . 1 1 65 65 VAL HA H 65 3.430 3.430 3.571 -0.141 25195 280 1 . 1 1 65 65 VAL C C 65 178.500 178.500 177.781 0.719 25195 281 1 . 1 1 65 65 VAL CA C 65 67.600 67.600 66.920 0.680 25195 282 1 . 1 1 65 65 VAL CB C 65 32.000 32.000 31.541 0.459 25195 283 1 . 1 1 65 65 VAL H H 65 8.250 8.250 8.363 -0.113 25195 284 1 . 1 1 66 66 GLU N N 66 120.200 120.200 120.143 0.057 25195 285 1 . 1 1 66 66 GLU HA H 66 4.340 4.340 4.059 0.281 25195 286 1 . 1 1 66 66 GLU C C 66 178.500 178.500 179.173 -0.673 25195 287 1 . 1 1 66 66 GLU CA C 66 58.700 58.700 59.430 -0.730 25195 288 1 . 1 1 66 66 GLU CB C 66 29.200 29.200 29.550 -0.349 25195 289 1 . 1 1 66 66 GLU H H 66 7.510 7.510 7.991 -0.481 25195 290 1 . 1 1 67 67 LEU N N 67 121.100 121.100 119.963 1.137 25195 291 1 . 1 1 67 67 LEU HA H 67 3.990 3.990 4.118 -0.128 25195 292 1 . 1 1 67 67 LEU C C 67 179.400 179.400 178.842 0.558 25195 293 1 . 1 1 67 67 LEU CA C 67 58.400 58.400 57.902 0.498 25195 294 1 . 1 1 67 67 LEU CB C 67 41.800 41.800 42.085 -0.285 25195 295 1 . 1 1 67 67 LEU H H 67 8.480 8.480 7.953 0.527 25195 296 1 . 1 1 68 68 LEU N N 68 118.500 118.500 117.912 0.588 25195 297 1 . 1 1 68 68 LEU HA H 68 3.780 3.780 4.200 -0.420 25195 298 1 . 1 1 68 68 LEU C C 68 179.100 179.100 178.349 0.751 25195 299 1 . 1 1 68 68 LEU CA C 68 58.700 58.700 57.947 0.753 25195 300 1 . 1 1 68 68 LEU CB C 68 41.400 41.400 41.406 -0.006 25195 301 1 . 1 1 68 68 LEU H H 68 8.250 8.250 8.332 -0.082 25195 302 1 . 1 1 69 69 ARG N N 69 119.200 119.200 118.287 0.913 25195 303 1 . 1 1 69 69 ARG HA H 69 4.050 4.050 4.303 -0.253 25195 304 1 . 1 1 69 69 ARG C C 69 180.400 180.400 178.228 2.172 25195 305 1 . 1 1 69 69 ARG CA C 69 59.500 59.500 58.325 1.175 25195 306 1 . 1 1 69 69 ARG CB C 69 30.100 30.100 29.947 0.153 25195 307 1 . 1 1 69 69 ARG H H 69 7.950 7.950 8.259 -0.309 25195 308 1 . 1 1 70 70 GLN N N 70 118.500 118.500 117.399 1.101 25195 309 1 . 1 1 70 70 GLN HA H 70 4.030 4.030 4.152 -0.122 25195 310 1 . 1 1 70 70 GLN C C 70 179.900 179.900 178.026 1.874 25195 311 1 . 1 1 70 70 GLN CA C 70 58.900 58.900 57.689 1.211 25195 312 1 . 1 1 70 70 GLN CB C 70 29.400 29.400 28.610 0.790 25195 313 1 . 1 1 70 70 GLN H H 70 8.450 8.450 7.781 0.669 25195 314 1 . 1 1 71 71 MET N N 71 117.500 117.500 118.627 -1.127 25195 315 1 . 1 1 71 71 MET HA H 71 4.140 4.140 4.110 0.030 25195 316 1 . 1 1 71 71 MET C C 71 175.200 175.200 176.794 -1.594 25195 317 1 . 1 1 71 71 MET CA C 71 58.200 58.200 58.279 -0.079 25195 318 1 . 1 1 71 71 MET CB C 71 36.200 36.200 33.064 3.135 25195 319 1 . 1 1 71 71 MET H H 71 8.380 8.380 7.875 0.505 25195 320 1 . 1 1 72 72 ALA N N 72 120.400 120.400 117.663 2.737 25195 321 1 . 1 1 72 72 ALA HA H 72 4.030 4.030 4.499 -0.469 25195 322 1 . 1 1 72 72 ALA C C 72 176.600 176.600 176.895 -0.295 25195 323 1 . 1 1 72 72 ALA CA C 72 52.800 52.800 52.134 0.666 25195 324 1 . 1 1 72 72 ALA CB C 72 16.500 16.500 21.521 -5.021 25195 325 1 . 1 1 72 72 ALA H H 72 8.100 8.100 7.546 0.554 25195 326 1 . 1 1 73 73 ILE N N 73 108.600 108.600 115.544 -6.944 25195 327 1 . 1 1 73 73 ILE C C 73 174.700 174.700 174.682 0.018 25195 328 1 . 1 1 73 73 ILE CA C 73 58.900 58.900 58.751 0.149 25195 329 1 . 1 1 73 73 ILE CB C 73 41.600 41.600 39.256 2.344 25195 330 1 . 1 1 73 73 ILE H H 73 7.240 7.240 7.885 -0.645 25195 331 1 . 1 1 74 74 SER N N 74 116.500 116.500 117.768 -1.268 25195 332 1 . 1 1 74 74 SER HA H 74 4.780 4.780 4.510 0.270 25195 333 1 . 1 1 74 74 SER CA C 74 55.900 55.900 58.758 -2.858 25195 334 1 . 1 1 74 74 SER CB C 74 63.500 63.500 63.049 0.451 25195 335 1 . 1 1 74 74 SER H H 74 8.290 8.290 8.537 -0.247 25195 336 1 . 1 1 75 75 PRO HA H 75 4.760 4.760 4.371 0.389 25195 337 1 . 1 1 75 75 PRO C C 75 178.200 178.200 177.756 0.444 25195 338 1 . 1 1 75 75 PRO CA C 75 65.600 65.600 64.549 1.051 25195 339 1 . 1 1 75 75 PRO CB C 75 32.100 32.100 31.945 0.155 25195 340 1 . 1 1 76 76 ARG N N 76 114.400 114.400 118.324 -3.924 25195 341 1 . 1 1 76 76 ARG C C 76 178.100 178.100 176.238 1.862 25195 342 1 . 1 1 76 76 ARG CA C 76 60.000 60.000 58.692 1.308 25195 343 1 . 1 1 76 76 ARG CB C 76 29.400 29.400 29.916 -0.516 25195 344 1 . 1 1 76 76 ARG H H 76 8.340 8.340 8.251 0.089 25195 345 1 . 1 1 77 77 ALA N N 77 119.400 119.400 119.006 0.394 25195 346 1 . 1 1 77 77 ALA HA H 77 4.230 4.230 4.536 -0.306 25195 347 1 . 1 1 77 77 ALA C C 77 178.100 178.100 176.598 1.502 25195 348 1 . 1 1 77 77 ALA CA C 77 53.800 53.800 51.108 2.692 25195 349 1 . 1 1 77 77 ALA CB C 77 18.600 18.600 18.992 -0.392 25195 350 1 . 1 1 77 77 ALA H H 77 7.720 7.720 7.544 0.176 25195 351 1 . 1 1 78 78 LEU N N 78 119.400 119.400 120.020 -0.620 25195 352 1 . 1 1 78 78 LEU HA H 78 4.380 4.380 4.437 -0.057 25195 353 1 . 1 1 78 78 LEU C C 78 174.800 174.800 176.459 -1.659 25195 354 1 . 1 1 78 78 LEU CA C 78 52.900 52.900 55.240 -2.340 25195 355 1 . 1 1 78 78 LEU CB C 78 44.100 44.100 43.557 0.543 25195 356 1 . 1 1 78 78 LEU H H 78 7.610 7.610 7.322 0.288 25195 357 1 . 1 1 79 79 LEU N N 79 118.700 118.700 120.957 -2.257 25195 358 1 . 1 1 79 79 LEU HA H 79 4.650 4.650 3.968 0.682 25195 359 1 . 1 1 79 79 LEU C C 79 178.900 178.900 176.799 2.101 25195 360 1 . 1 1 79 79 LEU CA C 79 55.100 55.100 54.907 0.193 25195 361 1 . 1 1 79 79 LEU CB C 79 44.600 44.600 39.330 5.270 25195 362 1 . 1 1 79 79 LEU H H 79 7.220 7.220 7.688 -0.468 25195 363 1 . 1 1 80 80 ARG N N 80 124.000 124.000 124.597 -0.597 25195 364 1 . 1 1 80 80 ARG HA H 80 4.220 4.220 4.056 0.164 25195 365 1 . 1 1 80 80 ARG C C 80 174.800 174.800 176.954 -2.154 25195 366 1 . 1 1 80 80 ARG CA C 80 56.200 56.200 56.608 -0.408 25195 367 1 . 1 1 80 80 ARG CB C 80 30.700 30.700 30.928 -0.228 25195 368 1 . 1 1 80 80 ARG H H 80 8.780 8.780 8.007 0.773 25195 369 1 . 1 1 81 81 ALA N N 81 124.400 124.400 123.353 1.047 25195 370 1 . 1 1 81 81 ALA HA H 81 2.490 2.490 4.222 -1.732 25195 371 1 . 1 1 81 81 ALA C C 81 177.600 177.600 178.552 -0.952 25195 372 1 . 1 1 81 81 ALA CA C 81 52.700 52.700 54.804 -2.104 25195 373 1 . 1 1 81 81 ALA CB C 81 18.600 18.600 18.972 -0.372 25195 374 1 . 1 1 81 81 ALA H H 81 7.420 7.420 8.548 -1.128 25195 375 1 . 1 1 82 82 LYS N N 82 114.500 114.500 117.484 -2.984 25195 376 1 . 1 1 82 82 LYS HA H 82 4.250 4.250 4.038 0.212 25195 377 1 . 1 1 82 82 LYS C C 82 177.700 177.700 178.361 -0.661 25195 378 1 . 1 1 82 82 LYS CA C 82 55.800 55.800 58.236 -2.436 25195 379 1 . 1 1 82 82 LYS CB C 82 31.400 31.400 32.094 -0.694 25195 380 1 . 1 1 82 82 LYS H H 82 8.190 8.190 8.317 -0.127 25195 381 1 . 1 1 83 83 GLU N N 83 118.700 118.700 119.631 -0.931 25195 382 1 . 1 1 83 83 GLU HA H 83 4.200 4.200 4.362 -0.163 25195 383 1 . 1 1 83 83 GLU CA C 83 55.800 55.800 54.948 0.852 25195 384 1 . 1 1 83 83 GLU CB C 83 29.300 29.300 27.520 1.780 25195 385 1 . 1 1 83 83 GLU H H 83 7.120 7.120 7.812 -0.693 25195 386 1 . 1 1 84 84 ALA HA H 84 4.210 4.210 3.901 0.309 25195 387 1 . 1 1 84 84 ALA C C 84 180.900 180.900 179.177 1.723 25195 388 1 . 1 1 84 84 ALA CA C 84 55.700 55.700 55.774 -0.074 25195 389 1 . 1 1 84 84 ALA CB C 84 17.800 17.800 18.776 -0.976 25195 390 1 . 1 1 85 85 ARG N N 85 115.800 115.800 118.648 -2.848 25195 391 1 . 1 1 85 85 ARG HA H 85 4.060 4.060 3.974 0.086 25195 392 1 . 1 1 85 85 ARG C C 85 178.200 178.200 178.235 -0.035 25195 393 1 . 1 1 85 85 ARG CA C 85 56.900 56.900 58.826 -1.926 25195 394 1 . 1 1 85 85 ARG CB C 85 29.900 29.900 29.500 0.400 25195 395 1 . 1 1 85 85 ARG H H 85 9.280 9.280 8.199 1.081 25195 396 1 . 1 1 86 86 TYR N N 86 118.300 118.300 120.280 -1.980 25195 397 1 . 1 1 86 86 TYR HA H 86 3.840 3.840 4.068 -0.228 25195 398 1 . 1 1 86 86 TYR C C 86 176.500 176.500 176.737 -0.237 25195 399 1 . 1 1 86 86 TYR CA C 86 61.200 61.200 61.626 -0.426 25195 400 1 . 1 1 86 86 TYR CB C 86 38.200 38.200 37.758 0.442 25195 401 1 . 1 1 86 86 TYR H H 86 7.270 7.270 8.688 -1.418 25195 402 1 . 1 1 87 87 ALA N N 87 120.500 120.500 119.718 0.782 25195 403 1 . 1 1 87 87 ALA HA H 87 4.340 4.340 3.604 0.736 25195 404 1 . 1 1 87 87 ALA C C 87 181.900 181.900 180.202 1.698 25195 405 1 . 1 1 87 87 ALA CA C 87 54.400 54.400 54.041 0.359 25195 406 1 . 1 1 87 87 ALA CB C 87 18.400 18.400 17.922 0.478 25195 407 1 . 1 1 87 87 ALA H H 87 7.110 7.110 7.701 -0.591 25195 408 1 . 1 1 88 88 GLU N N 88 119.500 119.500 119.910 -0.410 25195 409 1 . 1 1 88 88 GLU HA H 88 3.980 3.980 4.009 -0.029 25195 410 1 . 1 1 88 88 GLU C C 88 178.800 178.800 178.498 0.302 25195 411 1 . 1 1 88 88 GLU CA C 88 59.300 59.300 58.774 0.526 25195 412 1 . 1 1 88 88 GLU CB C 88 30.500 30.500 29.570 0.930 25195 413 1 . 1 1 88 88 GLU H H 88 8.240 8.240 8.069 0.171 25195 414 1 . 1 1 89 89 LEU N N 89 115.100 115.100 117.240 -2.140 25195 415 1 . 1 1 89 89 LEU HA H 89 4.280 4.280 4.218 0.062 25195 416 1 . 1 1 89 89 LEU C C 89 176.900 176.900 177.404 -0.504 25195 417 1 . 1 1 89 89 LEU CA C 89 54.500 54.500 55.518 -1.018 25195 418 1 . 1 1 89 89 LEU CB C 89 42.800 42.800 42.335 0.465 25195 419 1 . 1 1 89 89 LEU H H 89 7.430 7.430 7.920 -0.490 25195 420 1 . 1 1 90 90 GLY N N 90 108.200 108.200 106.034 2.166 25195 421 1 . 1 1 90 90 GLY C C 90 176.900 176.900 175.804 1.096 25195 422 1 . 1 1 90 90 GLY CA C 90 47.000 47.000 45.567 1.433 25195 423 1 . 1 1 90 90 GLY H H 90 7.690 7.690 7.636 0.054 25195 424 1 . 1 1 91 91 LEU N N 91 113.000 113.000 119.874 -6.874 25195 425 1 . 1 1 91 91 LEU HA H 91 3.770 3.770 4.037 -0.267 25195 426 1 . 1 1 91 91 LEU CA C 91 55.700 55.700 57.228 -1.528 25195 427 1 . 1 1 91 91 LEU CB C 91 39.300 39.300 41.078 -1.778 25195 428 1 . 1 1 91 91 LEU H H 91 7.000 7.000 7.390 -0.390 25195 429 1 . 1 1 92 92 ASP N N 92 117.000 117.000 114.821 2.179 25195 430 1 . 1 1 92 92 ASP HA H 92 4.440 4.440 4.483 -0.043 25195 431 1 . 1 1 92 92 ASP C C 92 175.400 175.400 176.276 -0.876 25195 432 1 . 1 1 92 92 ASP CA C 92 54.800 54.800 55.087 -0.287 25195 433 1 . 1 1 92 92 ASP CB C 92 40.700 40.700 40.447 0.253 25195 434 1 . 1 1 92 92 ASP H H 92 8.510 8.510 7.813 0.697 25195 435 1 . 1 1 93 93 ASP N N 93 120.600 120.600 120.971 -0.371 25195 436 1 . 1 1 93 93 ASP HA H 93 4.580 4.580 4.594 -0.014 25195 437 1 . 1 1 93 93 ASP C C 93 176.000 176.000 176.798 -0.798 25195 438 1 . 1 1 93 93 ASP CA C 93 52.100 52.100 53.701 -1.601 25195 439 1 . 1 1 93 93 ASP CB C 93 41.500 41.500 41.080 0.420 25195 440 1 . 1 1 93 93 ASP H H 93 7.000 7.000 7.634 -0.634 25195 441 1 . 1 1 94 94 PRO HA H 94 4.300 4.300 4.311 -0.011 25195 442 1 . 1 1 94 94 PRO C C 94 178.100 178.100 176.936 1.164 25195 443 1 . 1 1 94 94 PRO CA C 94 63.800 63.800 64.029 -0.229 25195 444 1 . 1 1 94 94 PRO CB C 94 32.200 32.200 31.985 0.215 25195 445 1 . 1 1 95 95 ALA N N 95 121.900 121.900 120.201 1.699 25195 446 1 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.304 -0.034 25195 447 1 . 1 1 95 95 ALA C C 95 178.400 178.400 177.515 0.885 25195 448 1 . 1 1 95 95 ALA CA C 95 52.500 52.500 52.277 0.223 25195 449 1 . 1 1 95 95 ALA CB C 95 19.200 19.200 18.690 0.511 25195 450 1 . 1 1 95 95 ALA H H 95 8.610 8.610 8.040 0.570 25195 451 1 . 1 1 96 96 LEU N N 96 117.600 117.600 119.109 -1.509 25195 452 1 . 1 1 96 96 LEU HA H 96 4.170 4.170 4.370 -0.200 25195 453 1 . 1 1 96 96 LEU C C 96 177.600 177.600 176.513 1.087 25195 454 1 . 1 1 96 96 LEU CA C 96 55.500 55.500 55.053 0.447 25195 455 1 . 1 1 96 96 LEU CB C 96 42.400 42.400 42.856 -0.456 25195 456 1 . 1 1 96 96 LEU H H 96 7.010 7.010 7.474 -0.464 25195 457 1 . 1 1 97 97 SER N N 97 119.200 119.200 112.687 6.513 25195 458 1 . 1 1 97 97 SER HA H 97 4.360 4.360 4.761 -0.401 25195 459 1 . 1 1 97 97 SER C C 97 174.400 174.400 174.336 0.064 25195 460 1 . 1 1 97 97 SER CA C 97 57.300 57.300 57.208 0.093 25195 461 1 . 1 1 97 97 SER CB C 97 64.900 64.900 65.832 -0.932 25195 462 1 . 1 1 97 97 SER H H 97 8.620 8.620 8.074 0.546 25195 463 1 . 1 1 98 98 ASP N N 98 122.000 122.000 123.099 -1.099 25195 464 1 . 1 1 98 98 ASP HA H 98 4.270 4.270 4.356 -0.086 25195 465 1 . 1 1 98 98 ASP C C 98 178.100 178.100 178.112 -0.013 25195 466 1 . 1 1 98 98 ASP CA C 98 57.800 57.800 57.438 0.362 25195 467 1 . 1 1 98 98 ASP CB C 98 40.100 40.100 40.694 -0.594 25195 468 1 . 1 1 98 98 ASP H H 98 9.050 9.050 8.823 0.227 25195 469 1 . 1 1 99 99 GLU N N 99 116.100 116.100 120.031 -3.931 25195 470 1 . 1 1 99 99 GLU HA H 99 3.790 3.790 4.032 -0.242 25195 471 1 . 1 1 99 99 GLU C C 99 176.800 176.800 178.787 -1.987 25195 472 1 . 1 1 99 99 GLU CA C 99 59.900 59.900 59.604 0.296 25195 473 1 . 1 1 99 99 GLU CB C 99 29.200 29.200 29.329 -0.129 25195 474 1 . 1 1 99 99 GLU H H 99 8.250 8.250 8.683 -0.433 25195 475 1 . 1 1 100 100 VAL N N 100 118.000 118.000 117.100 0.900 25195 476 1 . 1 1 100 100 VAL HA H 100 3.810 3.810 3.829 -0.019 25195 477 1 . 1 1 100 100 VAL C C 100 179.200 179.200 178.016 1.184 25195 478 1 . 1 1 100 100 VAL CA C 100 65.600 65.600 65.428 0.172 25195 479 1 . 1 1 100 100 VAL CB C 100 31.400 31.400 31.185 0.215 25195 480 1 . 1 1 100 100 VAL H H 100 7.290 7.290 7.583 -0.293 25195 481 1 . 1 1 101 101 LEU N N 101 120.100 120.100 120.882 -0.782 25195 482 1 . 1 1 101 101 LEU HA H 101 3.950 3.950 4.024 -0.074 25195 483 1 . 1 1 101 101 LEU CA C 101 58.100 58.100 58.055 0.045 25195 484 1 . 1 1 101 101 LEU CB C 101 41.500 41.500 40.800 0.700 25195 485 1 . 1 1 101 101 LEU H H 101 7.610 7.610 7.867 -0.257 25195 486 1 . 1 1 102 102 ILE N N 102 118.900 118.900 119.899 -0.999 25195 487 1 . 1 1 102 102 ILE HA H 102 3.420 3.420 3.545 -0.125 25195 488 1 . 1 1 102 102 ILE C C 102 177.700 177.700 177.713 -0.013 25195 489 1 . 1 1 102 102 ILE CA C 102 66.400 66.400 66.327 0.073 25195 490 1 . 1 1 102 102 ILE CB C 102 38.500 38.500 37.636 0.864 25195 491 1 . 1 1 102 102 ILE H H 102 8.260 8.260 8.566 -0.306 25195 492 1 . 1 1 103 103 ASP N N 103 118.000 118.000 119.970 -1.969 25195 493 1 . 1 1 103 103 ASP HA H 103 4.320 4.320 4.243 0.077 25195 494 1 . 1 1 103 103 ASP C C 103 179.400 179.400 178.321 1.079 25195 495 1 . 1 1 103 103 ASP CA C 103 57.800 57.800 57.583 0.217 25195 496 1 . 1 1 103 103 ASP CB C 103 40.100 40.100 40.744 -0.644 25195 497 1 . 1 1 103 103 ASP H H 103 8.080 8.080 8.097 -0.017 25195 498 1 . 1 1 104 104 ALA N N 104 121.500 121.500 121.658 -0.158 25195 499 1 . 1 1 104 104 ALA HA H 104 4.070 4.070 4.110 -0.040 25195 500 1 . 1 1 104 104 ALA C C 104 179.900 179.900 179.495 0.405 25195 501 1 . 1 1 104 104 ALA CA C 104 55.400 55.400 54.865 0.535 25195 502 1 . 1 1 104 104 ALA CB C 104 17.700 17.700 18.589 -0.889 25195 503 1 . 1 1 104 104 ALA H H 104 8.210 8.210 7.938 0.272 25195 504 1 . 1 1 105 105 MET N N 105 115.800 115.800 119.254 -3.454 25195 505 1 . 1 1 105 105 MET HA H 105 3.940 3.940 4.116 -0.176 25195 506 1 . 1 1 105 105 MET C C 105 176.700 176.700 178.400 -1.700 25195 507 1 . 1 1 105 105 MET CA C 105 59.500 59.500 59.000 0.500 25195 508 1 . 1 1 105 105 MET CB C 105 35.400 35.400 32.987 2.413 25195 509 1 . 1 1 105 105 MET H H 105 7.520 7.520 7.754 -0.234 25195 510 1 . 1 1 106 106 ILE N N 106 118.100 118.100 116.065 2.035 25195 511 1 . 1 1 106 106 ILE HA H 106 4.020 4.020 3.871 0.149 25195 512 1 . 1 1 106 106 ILE C C 106 178.200 178.200 177.530 0.670 25195 513 1 . 1 1 106 106 ILE CA C 106 62.000 62.000 63.223 -1.223 25195 514 1 . 1 1 106 106 ILE CB C 106 36.700 36.700 36.657 0.043 25195 515 1 . 1 1 106 106 ILE H H 106 7.730 7.730 8.479 -0.750 25195 516 1 . 1 1 107 107 SER N N 107 112.400 112.400 113.482 -1.082 25195 517 1 . 1 1 107 107 SER HA H 107 4.340 4.340 4.415 -0.075 25195 518 1 . 1 1 107 107 SER C C 107 174.800 174.800 174.962 -0.162 25195 519 1 . 1 1 107 107 SER CA C 107 60.400 60.400 59.304 1.096 25195 520 1 . 1 1 107 107 SER CB C 107 64.000 64.000 64.262 -0.263 25195 521 1 . 1 1 107 107 SER H H 107 8.160 8.160 7.541 0.619 25195 522 1 . 1 1 108 108 ASN N N 108 116.400 116.400 120.372 -3.972 25195 523 1 . 1 1 108 108 ASN HA H 108 5.290 5.290 4.990 0.300 25195 524 1 . 1 1 108 108 ASN CA C 108 51.100 51.100 52.223 -1.123 25195 525 1 . 1 1 108 108 ASN CB C 108 40.200 40.200 38.803 1.397 25195 526 1 . 1 1 108 108 ASN H H 108 7.700 7.700 7.801 -0.101 25195 527 1 . 1 1 109 109 PRO HA H 109 4.770 4.770 4.362 0.408 25195 528 1 . 1 1 109 109 PRO CA C 109 65.800 65.800 64.962 0.838 25195 529 1 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.726 0.474 25195 530 1 . 1 1 110 110 VAL N N 110 119.100 119.100 115.636 3.464 25195 531 1 . 1 1 110 110 VAL HA H 110 4.050 4.050 3.869 0.181 25195 532 1 . 1 1 110 110 VAL C C 110 175.200 175.200 176.404 -1.204 25195 533 1 . 1 1 110 110 VAL CA C 110 64.600 64.600 63.849 0.751 25195 534 1 . 1 1 110 110 VAL CB C 110 31.200 31.200 30.963 0.237 25195 535 1 . 1 1 110 110 VAL H H 110 8.280 8.280 7.841 0.439 25195 536 1 . 1 1 111 111 LEU N N 111 115.200 115.200 113.457 1.743 25195 537 1 . 1 1 111 111 LEU CA C 111 55.400 55.400 55.324 0.076 25195 538 1 . 1 1 111 111 LEU CB C 111 44.200 44.200 41.898 2.302 25195 539 1 . 1 1 111 111 LEU H H 111 8.420 8.420 7.285 1.135 25195 540 1 . 1 1 112 112 MET N N 112 118.900 118.900 119.410 -0.510 25195 541 1 . 1 1 112 112 MET HA H 112 4.060 4.060 4.233 -0.173 25195 542 1 . 1 1 112 112 MET CA C 112 56.500 56.500 56.668 -0.168 25195 543 1 . 1 1 112 112 MET CB C 112 35.600 35.600 31.601 3.999 25195 544 1 . 1 1 112 112 MET H H 112 7.940 7.940 7.703 0.237 25195 545 1 . 1 1 113 113 ASN N N 113 125.800 125.800 121.908 3.892 25195 546 1 . 1 1 113 113 ASN HA H 113 4.640 4.640 4.747 -0.107 25195 547 1 . 1 1 113 113 ASN C C 113 170.700 170.700 176.020 -5.320 25195 548 1 . 1 1 113 113 ASN CA C 113 52.200 52.200 53.184 -0.984 25195 549 1 . 1 1 113 113 ASN CB C 113 36.900 36.900 38.765 -1.865 25195 550 1 . 1 1 113 113 ASN H H 113 9.140 9.140 8.313 0.827 25195 551 1 . 1 1 114 114 ARG N N 114 113.200 113.200 120.550 -7.350 25195 552 1 . 1 1 114 114 ARG CA C 114 53.800 53.800 58.839 -5.039 25195 553 1 . 1 1 114 114 ARG CB C 114 30.800 30.800 28.919 1.881 25195 554 1 . 1 1 114 114 ARG H H 114 7.970 7.970 8.262 -0.292 25195 555 1 . 1 1 115 115 PRO HA H 115 4.820 4.820 4.667 0.153 25195 556 1 . 1 1 115 115 PRO C C 115 175.400 175.400 175.999 -0.599 25195 557 1 . 1 1 115 115 PRO CA C 115 62.600 62.600 62.622 -0.022 25195 558 1 . 1 1 115 115 PRO CB C 115 33.400 33.400 31.087 2.313 25195 559 1 . 1 1 116 116 VAL N N 116 124.500 124.500 126.691 -2.191 25195 560 1 . 1 1 116 116 VAL HA H 116 5.080 5.080 4.389 0.691 25195 561 1 . 1 1 116 116 VAL C C 116 174.500 174.500 174.169 0.331 25195 562 1 . 1 1 116 116 VAL CA C 116 62.500 62.500 61.312 1.188 25195 563 1 . 1 1 116 116 VAL CB C 116 33.000 33.000 35.526 -2.526 25195 564 1 . 1 1 116 116 VAL H H 116 7.840 7.840 8.848 -1.008 25195 565 1 . 1 1 117 117 VAL N N 117 128.000 128.000 127.375 0.625 25195 566 1 . 1 1 117 117 VAL HA H 117 4.780 4.780 4.418 0.362 25195 567 1 . 1 1 117 117 VAL CA C 117 61.000 61.000 60.204 0.796 25195 568 1 . 1 1 117 117 VAL CB C 117 34.800 34.800 34.290 0.510 25195 569 1 . 1 1 117 117 VAL H H 117 8.670 8.670 9.114 -0.444 25195 570 1 . 1 1 118 118 VAL N N 118 125.700 125.700 129.486 -3.786 25195 571 1 . 1 1 118 118 VAL C C 118 175.700 175.700 174.582 1.118 25195 572 1 . 1 1 118 118 VAL CA C 118 61.200 61.200 61.083 0.117 25195 573 1 . 1 1 118 118 VAL CB C 118 35.000 35.000 32.444 2.556 25195 574 1 . 1 1 118 118 VAL H H 118 9.110 9.110 9.160 -0.050 25195 575 1 . 1 1 119 119 THR N N 119 118.500 118.500 118.675 -0.175 25195 576 1 . 1 1 119 119 THR HA H 119 5.490 5.490 4.998 0.492 25195 577 1 . 1 1 119 119 THR CA C 119 58.800 58.800 58.509 0.291 25195 578 1 . 1 1 119 119 THR CB C 119 69.800 69.800 70.653 -0.853 25195 579 1 . 1 1 119 119 THR H H 119 9.370 9.370 8.766 0.604 25195 580 1 . 1 1 120 120 PRO HA H 120 4.480 4.480 4.479 0.001 25195 581 1 . 1 1 120 120 PRO C C 120 177.800 177.800 176.953 0.847 25195 582 1 . 1 1 120 120 PRO CA C 120 65.100 65.100 64.497 0.603 25195 583 1 . 1 1 120 120 PRO CB C 120 32.300 32.300 31.698 0.602 25195 584 1 . 1 1 121 121 LYS N N 121 113.600 113.600 117.465 -3.865 25195 585 1 . 1 1 121 121 LYS HA H 121 4.260 4.260 4.477 -0.217 25195 586 1 . 1 1 121 121 LYS C C 121 176.400 176.400 175.993 0.407 25195 587 1 . 1 1 121 121 LYS CA C 121 57.200 57.200 55.648 1.552 25195 588 1 . 1 1 121 121 LYS CB C 121 33.800 33.800 33.770 0.030 25195 589 1 . 1 1 121 121 LYS H H 121 8.360 8.360 8.011 0.349 25195 590 1 . 1 1 122 122 GLY N N 122 108.400 108.400 107.088 1.312 25195 591 1 . 1 1 122 122 GLY C C 122 169.500 169.500 171.809 -2.309 25195 592 1 . 1 1 122 122 GLY CA C 122 45.100 45.100 45.033 0.067 25195 593 1 . 1 1 122 122 GLY H H 122 7.900 7.900 7.544 0.356 25195 594 1 . 1 1 123 123 VAL N N 123 117.100 117.100 119.300 -2.200 25195 595 1 . 1 1 123 123 VAL HA H 123 5.460 5.460 5.058 0.402 25195 596 1 . 1 1 123 123 VAL C C 123 176.100 176.100 174.709 1.391 25195 597 1 . 1 1 123 123 VAL CA C 123 60.000 60.000 60.363 -0.363 25195 598 1 . 1 1 123 123 VAL CB C 123 34.800 34.800 35.101 -0.301 25195 599 1 . 1 1 123 123 VAL H H 123 8.080 8.080 8.378 -0.298 25195 600 1 . 1 1 124 124 ARG N N 124 122.300 122.300 124.274 -1.974 25195 601 1 . 1 1 124 124 ARG HA H 124 4.660 4.660 4.569 0.091 25195 602 1 . 1 1 124 124 ARG C C 124 174.800 174.800 174.027 0.773 25195 603 1 . 1 1 124 124 ARG CA C 124 54.400 54.400 54.169 0.231 25195 604 1 . 1 1 124 124 ARG CB C 124 35.900 35.900 34.429 1.471 25195 605 1 . 1 1 124 124 ARG H H 124 8.510 8.510 8.752 -0.242 25195 606 1 . 1 1 125 125 LEU N N 125 125.500 125.500 122.074 3.426 25195 607 1 . 1 1 125 125 LEU HA H 125 4.600 4.600 4.296 0.304 25195 608 1 . 1 1 125 125 LEU C C 125 176.500 176.500 177.987 -1.487 25195 609 1 . 1 1 125 125 LEU CA C 125 54.700 54.700 55.953 -1.253 25195 610 1 . 1 1 125 125 LEU CB C 125 40.900 40.900 41.870 -0.970 25195 611 1 . 1 1 125 125 LEU H H 125 8.860 8.860 8.669 0.191 25195 612 1 . 1 1 126 126 CYS N N 126 129.700 129.700 123.362 6.338 25195 613 1 . 1 1 126 126 CYS HA H 126 4.490 4.490 4.190 0.300 25195 614 1 . 1 1 126 126 CYS C C 126 172.000 172.000 174.361 -2.361 25195 615 1 . 1 1 126 126 CYS CA C 126 59.900 59.900 59.683 0.217 25195 616 1 . 1 1 126 126 CYS CB C 126 27.300 27.300 27.706 -0.407 25195 617 1 . 1 1 126 126 CYS H H 126 8.540 8.540 8.615 -0.074 25195 618 1 . 1 1 127 127 ARG N N 127 117.500 117.500 118.883 -1.383 25195 619 1 . 1 1 127 127 ARG HA H 127 4.190 4.190 4.688 -0.498 25195 620 1 . 1 1 127 127 ARG CA C 127 53.200 53.200 53.105 0.095 25195 621 1 . 1 1 127 127 ARG CB C 127 33.400 33.400 31.700 1.700 25195 622 1 . 1 1 127 127 ARG H H 127 6.930 6.930 7.159 -0.229 25195 623 1 . 1 1 128 128 PRO C C 128 177.100 177.100 177.151 -0.051 25195 624 1 . 1 1 128 128 PRO CA C 128 63.200 63.200 62.401 0.799 25195 625 1 . 1 1 128 128 PRO CB C 128 35.300 35.300 32.701 2.599 25195 626 1 . 1 1 129 129 ALA N N 129 124.000 124.000 120.720 3.280 25195 627 1 . 1 1 129 129 ALA HA H 129 3.850 3.850 4.029 -0.179 25195 628 1 . 1 1 129 129 ALA C C 129 177.700 177.700 179.950 -2.250 25195 629 1 . 1 1 129 129 ALA CA C 129 55.200 55.200 54.993 0.207 25195 630 1 . 1 1 129 129 ALA CB C 129 19.900 19.900 18.524 1.376 25195 631 1 . 1 1 129 129 ALA H H 129 9.320 9.320 8.566 0.754 25195 632 1 . 1 1 130 130 GLU N N 130 111.600 111.600 117.567 -5.967 25195 633 1 . 1 1 130 130 GLU HA H 130 3.840 3.840 4.036 -0.196 25195 634 1 . 1 1 130 130 GLU C C 130 178.200 178.200 178.762 -0.562 25195 635 1 . 1 1 130 130 GLU CA C 130 60.500 60.500 59.633 0.867 25195 636 1 . 1 1 130 130 GLU CB C 130 28.100 28.100 29.185 -1.085 25195 637 1 . 1 1 130 130 GLU H H 130 9.490 9.490 8.753 0.737 25195 638 1 . 1 1 131 131 THR N N 131 116.100 116.100 114.108 1.992 25195 639 1 . 1 1 131 131 THR HA H 131 4.040 4.040 4.053 -0.013 25195 640 1 . 1 1 131 131 THR C C 131 175.800 175.800 176.499 -0.699 25195 641 1 . 1 1 131 131 THR CA C 131 65.600 65.600 65.588 0.012 25195 642 1 . 1 1 131 131 THR CB C 131 69.800 69.800 68.553 1.247 25195 643 1 . 1 1 131 131 THR H H 131 7.940 7.940 7.668 0.272 25195 644 1 . 1 1 132 132 VAL N N 132 119.200 119.200 122.180 -2.980 25195 645 1 . 1 1 132 132 VAL HA H 132 3.880 3.880 3.672 0.208 25195 646 1 . 1 1 132 132 VAL C C 132 176.500 176.500 177.432 -0.932 25195 647 1 . 1 1 132 132 VAL CA C 132 64.100 64.100 65.815 -1.715 25195 648 1 . 1 1 132 132 VAL CB C 132 32.400 32.400 31.566 0.834 25195 649 1 . 1 1 132 132 VAL H H 132 8.130 8.130 7.671 0.459 25195 650 1 . 1 1 133 133 GLN N N 133 118.500 118.500 118.542 -0.042 25195 651 1 . 1 1 133 133 GLN HA H 133 3.850 3.850 4.072 -0.222 25195 652 1 . 1 1 133 133 GLN C C 133 178.500 178.500 177.823 0.677 25195 653 1 . 1 1 133 133 GLN CA C 133 58.800 58.800 58.550 0.250 25195 654 1 . 1 1 133 133 GLN CB C 133 28.000 28.000 28.434 -0.434 25195 655 1 . 1 1 133 133 GLN H H 133 7.690 7.690 7.999 -0.309 25195 656 1 . 1 1 134 134 GLU N N 134 115.200 115.200 119.072 -3.872 25195 657 1 . 1 1 134 134 GLU HA H 134 4.140 4.140 4.176 -0.036 25195 658 1 . 1 1 134 134 GLU C C 134 177.000 177.000 178.237 -1.237 25195 659 1 . 1 1 134 134 GLU CA C 134 57.800 57.800 57.937 -0.137 25195 660 1 . 1 1 134 134 GLU CB C 134 29.900 29.900 29.996 -0.096 25195 661 1 . 1 1 134 134 GLU H H 134 7.620 7.620 7.758 -0.138 25195 662 1 . 1 1 135 135 LEU N N 135 115.600 115.600 119.804 -4.204 25195 663 1 . 1 1 135 135 LEU HA H 135 4.220 4.220 4.211 0.009 25195 664 1 . 1 1 135 135 LEU C C 135 176.100 176.100 176.816 -0.716 25195 665 1 . 1 1 135 135 LEU CA C 135 53.800 53.800 56.583 -2.783 25195 666 1 . 1 1 135 135 LEU CB C 135 43.300 43.300 42.815 0.485 25195 667 1 . 1 1 135 135 LEU H H 135 7.740 7.740 7.771 -0.031 25195 stop_ save_