data_25436 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25436 _Entry.PDB_ID 2MXY 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 25436 _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 3 3 SER HA H 3 4.564 4.564 4.397 0.167 25436 2 1 1 . 1 1 3 3 SER C C 3 173.407 173.407 175.120 -1.713 25436 3 1 1 . 1 1 3 3 SER CA C 3 58.309 58.309 58.975 -0.666 25436 4 1 1 . 1 1 3 3 SER CB C 3 63.980 63.980 63.834 0.146 25436 5 1 1 . 1 1 4 4 ASN N N 4 120.204 120.204 118.638 1.566 25436 6 1 1 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.005 0.212 25436 7 1 1 . 1 1 4 4 ASN C C 4 176.242 176.242 173.975 2.267 25436 8 1 1 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.311 0.724 25436 9 1 1 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.898 -0.183 25436 10 1 1 . 1 1 4 4 ASN H H 4 8.783 8.783 8.631 0.152 25436 11 1 1 . 1 1 5 5 VAL N N 5 122.598 122.598 120.746 1.852 25436 12 1 1 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.256 -0.486 25436 13 1 1 . 1 1 5 5 VAL C C 5 177.222 177.222 175.257 1.965 25436 14 1 1 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.729 4.077 25436 15 1 1 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.510 -3.655 25436 16 1 1 . 1 1 5 5 VAL H H 5 8.326 8.326 7.572 0.754 25436 17 1 1 . 1 1 6 6 THR N N 6 118.450 118.450 116.061 2.389 25436 18 1 1 . 1 1 6 6 THR HA H 6 4.682 4.682 4.565 0.117 25436 19 1 1 . 1 1 6 6 THR C C 6 174.349 174.349 173.413 0.936 25436 20 1 1 . 1 1 6 6 THR CA C 6 60.542 60.542 61.183 -0.641 25436 21 1 1 . 1 1 6 6 THR CB C 6 69.771 69.771 69.713 0.059 25436 22 1 1 . 1 1 6 6 THR H H 6 9.391 9.391 8.548 0.843 25436 23 1 1 . 1 1 7 7 ASN N N 7 120.847 120.847 118.283 2.564 25436 24 1 1 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.520 0.035 25436 25 1 1 . 1 1 7 7 ASN C C 7 176.863 176.863 175.727 1.136 25436 26 1 1 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.643 -0.734 25436 27 1 1 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.916 0.143 25436 28 1 1 . 1 1 7 7 ASN H H 7 7.970 7.970 7.920 0.050 25436 29 1 1 . 1 1 8 8 LYS N N 8 121.736 121.736 122.126 -0.390 25436 30 1 1 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.231 0.023 25436 31 1 1 . 1 1 8 8 LYS C C 8 180.141 180.141 177.534 2.607 25436 32 1 1 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.485 1.736 25436 33 1 1 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.846 -0.556 25436 34 1 1 . 1 1 8 8 LYS H H 8 8.577 8.577 8.266 0.311 25436 35 1 1 . 1 1 9 9 THR N N 9 110.800 110.800 110.270 0.530 25436 36 1 1 . 1 1 9 9 THR HA H 9 4.467 4.467 4.433 0.034 25436 37 1 1 . 1 1 9 9 THR C C 9 174.484 174.484 173.810 0.674 25436 38 1 1 . 1 1 9 9 THR CA C 9 61.242 61.242 61.032 0.210 25436 39 1 1 . 1 1 9 9 THR CB C 9 69.009 69.009 69.568 -0.559 25436 40 1 1 . 1 1 9 9 THR H H 9 8.695 8.695 8.214 0.481 25436 41 1 1 . 1 1 10 10 ASP N N 10 120.937 120.937 124.112 -3.175 25436 42 1 1 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.758 0.065 25436 43 1 1 . 1 1 10 10 ASP C C 10 173.945 173.945 176.698 -2.753 25436 44 1 1 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.305 -0.819 25436 45 1 1 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.510 -1.960 25436 46 1 1 . 1 1 10 10 ASP H H 10 7.908 7.908 7.983 -0.075 25436 47 1 1 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.398 -0.248 25436 48 1 1 . 1 1 11 11 PRO C C 11 178.420 178.420 176.412 2.008 25436 49 1 1 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.679 1.534 25436 50 1 1 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.005 0.150 25436 51 1 1 . 1 1 12 12 ARG N N 12 116.349 116.349 113.435 2.914 25436 52 1 1 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.826 -0.731 25436 53 1 1 . 1 1 12 12 ARG C C 12 180.445 180.445 176.190 4.255 25436 54 1 1 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.338 3.233 25436 55 1 1 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.039 -0.804 25436 56 1 1 . 1 1 12 12 ARG H H 12 7.944 7.944 8.035 -0.091 25436 57 1 1 . 1 1 13 13 SER N N 13 119.401 119.401 115.345 4.056 25436 58 1 1 . 1 1 13 13 SER HA H 13 4.053 4.053 4.780 -0.727 25436 59 1 1 . 1 1 13 13 SER C C 13 175.325 175.325 175.357 -0.032 25436 60 1 1 . 1 1 13 13 SER CA C 13 61.500 61.500 59.317 2.183 25436 61 1 1 . 1 1 13 13 SER CB C 13 61.798 61.798 64.171 -2.373 25436 62 1 1 . 1 1 13 13 SER H H 13 8.152 8.152 7.651 0.501 25436 63 1 1 . 1 1 14 14 MET N N 14 120.254 120.254 117.535 2.719 25436 64 1 1 . 1 1 14 14 MET HA H 14 4.090 4.090 4.352 -0.262 25436 65 1 1 . 1 1 14 14 MET C C 14 178.575 178.575 175.610 2.965 25436 66 1 1 . 1 1 14 14 MET CA C 14 58.317 58.317 57.397 0.921 25436 67 1 1 . 1 1 14 14 MET CB C 14 31.466 31.466 33.363 -1.897 25436 68 1 1 . 1 1 14 14 MET H H 14 8.241 8.241 7.879 0.362 25436 69 1 1 . 1 1 15 15 ASN N N 15 115.299 115.299 110.542 4.757 25436 70 1 1 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.828 -0.202 25436 71 1 1 . 1 1 15 15 ASN C C 15 172.554 172.554 175.675 -3.121 25436 72 1 1 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.099 0.961 25436 73 1 1 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.016 -0.220 25436 74 1 1 . 1 1 15 15 ASN H H 15 7.962 7.962 8.225 -0.263 25436 75 1 1 . 1 1 16 16 SER N N 16 106.079 106.079 113.124 -7.045 25436 76 1 1 . 1 1 16 16 SER HA H 16 4.500 4.500 4.751 -0.251 25436 77 1 1 . 1 1 16 16 SER C C 16 172.120 172.120 173.849 -1.729 25436 78 1 1 . 1 1 16 16 SER CA C 16 56.814 56.814 57.971 -1.157 25436 79 1 1 . 1 1 16 16 SER CB C 16 63.439 63.439 63.789 -0.350 25436 80 1 1 . 1 1 16 16 SER H H 16 7.249 7.249 7.860 -0.611 25436 81 1 1 . 1 1 17 17 ARG N N 17 123.335 123.335 122.109 1.226 25436 82 1 1 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.255 0.330 25436 83 1 1 . 1 1 17 17 ARG C C 17 174.490 174.490 174.858 -0.368 25436 84 1 1 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.892 -0.528 25436 85 1 1 . 1 1 17 17 ARG CB C 17 32.858 32.858 34.071 -1.213 25436 86 1 1 . 1 1 17 17 ARG H H 17 7.400 7.400 7.651 -0.251 25436 87 1 1 . 1 1 18 18 VAL N N 18 122.241 122.241 122.365 -0.124 25436 88 1 1 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.645 0.072 25436 89 1 1 . 1 1 18 18 VAL C C 18 174.862 174.862 174.205 0.657 25436 90 1 1 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.194 -0.471 25436 91 1 1 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.638 -0.357 25436 92 1 1 . 1 1 18 18 VAL H H 18 9.264 9.264 8.910 0.354 25436 93 1 1 . 1 1 19 19 PHE N N 19 125.933 125.933 129.016 -3.083 25436 94 1 1 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.307 0.159 25436 95 1 1 . 1 1 19 19 PHE C C 19 171.966 171.966 173.420 -1.454 25436 96 1 1 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.275 1.848 25436 97 1 1 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.836 -0.890 25436 98 1 1 . 1 1 19 19 PHE H H 19 9.162 9.162 9.170 -0.008 25436 99 1 1 . 1 1 20 20 ILE N N 20 126.425 126.425 126.878 -0.453 25436 100 1 1 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.137 -0.268 25436 101 1 1 . 1 1 20 20 ILE C C 20 173.048 173.048 174.149 -1.101 25436 102 1 1 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.073 -0.743 25436 103 1 1 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.897 0.138 25436 104 1 1 . 1 1 20 20 ILE H H 20 7.723 7.723 7.872 -0.149 25436 105 1 1 . 1 1 21 21 GLY N N 21 113.255 113.255 111.161 2.094 25436 106 1 1 . 1 1 21 21 GLY C C 21 173.768 173.768 174.281 -0.513 25436 107 1 1 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.890 1.040 25436 108 1 1 . 1 1 21 21 GLY H H 21 8.498 8.498 8.432 0.066 25436 109 1 1 . 1 1 22 22 ASN N N 22 116.172 116.172 116.470 -0.298 25436 110 1 1 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.296 0.133 25436 111 1 1 . 1 1 22 22 ASN C C 22 174.204 174.204 174.591 -0.387 25436 112 1 1 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.103 -0.585 25436 113 1 1 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.109 0.666 25436 114 1 1 . 1 1 22 22 ASN H H 22 7.227 7.227 8.440 -1.213 25436 115 1 1 . 1 1 23 23 LEU N N 23 119.429 119.429 119.332 0.097 25436 116 1 1 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.372 -0.429 25436 117 1 1 . 1 1 23 23 LEU C C 23 176.550 176.550 177.104 -0.554 25436 118 1 1 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.616 -2.039 25436 119 1 1 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.557 0.811 25436 120 1 1 . 1 1 23 23 LEU H H 23 7.110 7.110 7.560 -0.450 25436 121 1 1 . 1 1 24 24 ASN N N 24 122.292 122.292 122.138 0.154 25436 122 1 1 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.637 0.435 25436 123 1 1 . 1 1 24 24 ASN C C 24 175.830 175.830 175.850 -0.020 25436 124 1 1 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.115 -1.614 25436 125 1 1 . 1 1 24 24 ASN CB C 24 35.591 35.591 36.943 -1.352 25436 126 1 1 . 1 1 24 24 ASN H H 24 8.975 8.975 8.771 0.204 25436 127 1 1 . 1 1 25 25 THR N N 25 118.371 118.371 111.983 6.388 25436 128 1 1 . 1 1 25 25 THR HA H 25 4.411 4.411 4.069 0.342 25436 129 1 1 . 1 1 25 25 THR C C 25 175.285 175.285 175.201 0.084 25436 130 1 1 . 1 1 25 25 THR CA C 25 63.453 63.453 64.305 -0.852 25436 131 1 1 . 1 1 25 25 THR CB C 25 67.150 67.150 68.664 -1.514 25436 132 1 1 . 1 1 25 25 THR H H 25 8.466 8.466 8.068 0.398 25436 133 1 1 . 1 1 26 26 LEU N N 26 121.017 121.017 115.739 5.278 25436 134 1 1 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.540 -0.333 25436 135 1 1 . 1 1 26 26 LEU C C 26 178.243 178.243 176.405 1.838 25436 136 1 1 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.962 0.777 25436 137 1 1 . 1 1 26 26 LEU CB C 26 41.132 41.132 41.461 -0.329 25436 138 1 1 . 1 1 26 26 LEU H H 26 7.583 7.583 7.562 0.021 25436 139 1 1 . 1 1 27 27 VAL N N 27 115.968 115.968 116.811 -0.843 25436 140 1 1 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.268 -0.243 25436 141 1 1 . 1 1 27 27 VAL C C 27 175.199 175.199 175.129 0.070 25436 142 1 1 . 1 1 27 27 VAL CA C 27 63.209 63.209 63.339 -0.130 25436 143 1 1 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.480 0.702 25436 144 1 1 . 1 1 27 27 VAL H H 27 6.846 6.846 7.879 -1.033 25436 145 1 1 . 1 1 28 28 VAL N N 28 121.753 121.753 120.922 0.831 25436 146 1 1 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.080 -0.213 25436 147 1 1 . 1 1 28 28 VAL C C 28 174.351 174.351 174.220 0.131 25436 148 1 1 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.130 1.050 25436 149 1 1 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.508 -1.463 25436 150 1 1 . 1 1 28 28 VAL H H 28 8.389 8.389 7.639 0.750 25436 151 1 1 . 1 1 29 29 LYS N N 29 124.108 124.108 119.733 4.375 25436 152 1 1 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.643 -0.015 25436 153 1 1 . 1 1 29 29 LYS C C 29 177.958 177.958 176.232 1.726 25436 154 1 1 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.419 -0.759 25436 155 1 1 . 1 1 29 29 LYS CB C 29 34.456 34.456 33.865 0.591 25436 156 1 1 . 1 1 29 29 LYS H H 29 8.929 8.929 7.783 1.146 25436 157 1 1 . 1 1 30 30 LYS N N 30 123.352 123.352 121.526 1.826 25436 158 1 1 . 1 1 30 30 LYS HA H 30 3.663 3.663 4.007 -0.344 25436 159 1 1 . 1 1 30 30 LYS C C 30 177.638 177.638 178.133 -0.495 25436 160 1 1 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.196 2.204 25436 161 1 1 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.155 0.501 25436 162 1 1 . 1 1 30 30 LYS H H 30 8.994 8.994 8.771 0.223 25436 163 1 1 . 1 1 31 31 SER N N 31 111.491 111.491 113.324 -1.833 25436 164 1 1 . 1 1 31 31 SER HA H 31 4.175 4.175 4.355 -0.180 25436 165 1 1 . 1 1 31 31 SER C C 31 177.616 177.616 174.860 2.756 25436 166 1 1 . 1 1 31 31 SER CA C 31 61.402 61.402 59.968 1.434 25436 167 1 1 . 1 1 31 31 SER CB C 31 61.541 61.541 62.950 -1.409 25436 168 1 1 . 1 1 31 31 SER H H 31 8.686 8.686 8.438 0.248 25436 169 1 1 . 1 1 32 32 ASP N N 32 122.114 122.114 122.148 -0.034 25436 170 1 1 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.731 -0.207 25436 171 1 1 . 1 1 32 32 ASP C C 32 178.193 178.193 178.427 -0.234 25436 172 1 1 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.363 0.832 25436 173 1 1 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.299 0.514 25436 174 1 1 . 1 1 32 32 ASP H H 32 7.147 7.147 7.727 -0.580 25436 175 1 1 . 1 1 33 33 VAL N N 33 120.064 120.064 120.928 -0.864 25436 176 1 1 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.873 -0.405 25436 177 1 1 . 1 1 33 33 VAL C C 33 178.623 178.623 176.989 1.634 25436 178 1 1 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.315 1.022 25436 179 1 1 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.986 -0.690 25436 180 1 1 . 1 1 33 33 VAL H H 33 7.939 7.939 8.136 -0.197 25436 181 1 1 . 1 1 34 34 GLU N N 34 118.713 118.713 116.643 2.070 25436 182 1 1 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.152 -0.393 25436 183 1 1 . 1 1 34 34 GLU C C 34 178.700 178.700 176.144 2.556 25436 184 1 1 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.557 2.946 25436 185 1 1 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.210 0.120 25436 186 1 1 . 1 1 34 34 GLU H H 34 8.641 8.641 8.061 0.580 25436 187 1 1 . 1 1 35 35 ALA N N 35 121.519 121.519 120.220 1.299 25436 188 1 1 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.548 -0.398 25436 189 1 1 . 1 1 35 35 ALA C C 35 180.482 180.482 178.224 2.258 25436 190 1 1 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.773 2.769 25436 191 1 1 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.250 -2.193 25436 192 1 1 . 1 1 35 35 ALA H H 35 7.818 7.818 7.607 0.211 25436 193 1 1 . 1 1 36 36 ILE N N 36 117.410 117.410 118.185 -0.775 25436 194 1 1 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.148 -0.480 25436 195 1 1 . 1 1 36 36 ILE C C 36 178.664 178.664 176.430 2.234 25436 196 1 1 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.941 1.849 25436 197 1 1 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.379 0.406 25436 198 1 1 . 1 1 36 36 ILE H H 36 7.778 7.778 7.628 0.150 25436 199 1 1 . 1 1 37 37 PHE N N 37 113.502 113.502 117.029 -3.527 25436 200 1 1 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.835 -0.472 25436 201 1 1 . 1 1 37 37 PHE C C 37 179.622 179.622 177.328 2.294 25436 202 1 1 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.594 4.109 25436 203 1 1 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.371 -3.187 25436 204 1 1 . 1 1 37 37 PHE H H 37 8.587 8.587 7.822 0.765 25436 205 1 1 . 1 1 38 38 SER N N 38 122.010 122.010 115.570 6.440 25436 206 1 1 . 1 1 38 38 SER HA H 38 4.819 4.819 4.715 0.104 25436 207 1 1 . 1 1 38 38 SER C C 38 175.438 175.438 175.510 -0.072 25436 208 1 1 . 1 1 38 38 SER CA C 38 61.462 61.462 59.743 1.719 25436 209 1 1 . 1 1 38 38 SER CB C 38 62.737 62.737 62.891 -0.154 25436 210 1 1 . 1 1 38 38 SER H H 38 8.827 8.827 8.671 0.156 25436 211 1 1 . 1 1 39 39 LYS N N 39 119.345 119.345 117.669 1.676 25436 212 1 1 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.159 -0.192 25436 213 1 1 . 1 1 39 39 LYS C C 39 177.063 177.063 176.427 0.636 25436 214 1 1 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.684 0.575 25436 215 1 1 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.818 -0.256 25436 216 1 1 . 1 1 39 39 LYS H H 39 7.057 7.057 8.071 -1.014 25436 217 1 1 . 1 1 40 40 TYR N N 40 114.420 114.420 118.695 -4.275 25436 218 1 1 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.524 -0.243 25436 219 1 1 . 1 1 40 40 TYR C C 40 174.841 174.841 174.209 0.632 25436 220 1 1 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.407 1.449 25436 221 1 1 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.056 -1.695 25436 222 1 1 . 1 1 40 40 TYR H H 40 6.956 6.956 7.636 -0.680 25436 223 1 1 . 1 1 41 41 GLY N N 41 106.506 106.506 104.140 2.366 25436 224 1 1 . 1 1 41 41 GLY C C 41 170.572 170.572 172.416 -1.844 25436 225 1 1 . 1 1 41 41 GLY CA C 41 44.571 44.571 44.890 -0.319 25436 226 1 1 . 1 1 41 41 GLY H H 41 7.430 7.430 7.315 0.115 25436 227 1 1 . 1 1 42 42 LYS N N 42 117.771 117.771 121.242 -3.471 25436 228 1 1 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.582 -0.381 25436 229 1 1 . 1 1 42 42 LYS C C 42 176.535 176.535 176.235 0.300 25436 230 1 1 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.655 2.477 25436 231 1 1 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.674 0.282 25436 232 1 1 . 1 1 42 42 LYS H H 42 8.037 8.037 8.342 -0.305 25436 233 1 1 . 1 1 43 43 ILE N N 43 127.134 127.134 127.017 0.117 25436 234 1 1 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.410 -0.384 25436 235 1 1 . 1 1 43 43 ILE C C 43 176.992 176.992 175.981 1.011 25436 236 1 1 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.779 -0.383 25436 237 1 1 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.791 0.076 25436 238 1 1 . 1 1 43 43 ILE H H 43 8.720 8.720 8.560 0.160 25436 239 1 1 . 1 1 44 44 VAL N N 44 121.988 121.988 120.405 1.583 25436 240 1 1 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.542 -0.174 25436 241 1 1 . 1 1 44 44 VAL C C 44 176.854 176.854 175.189 1.665 25436 242 1 1 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.722 1.163 25436 243 1 1 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.967 -0.495 25436 244 1 1 . 1 1 44 44 VAL H H 44 8.707 8.707 9.000 -0.293 25436 245 1 1 . 1 1 45 45 GLY N N 45 109.497 109.497 108.122 1.375 25436 246 1 1 . 1 1 45 45 GLY C C 45 171.265 171.265 171.803 -0.538 25436 247 1 1 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.795 -0.778 25436 248 1 1 . 1 1 45 45 GLY H H 45 7.541 7.541 7.490 0.051 25436 249 1 1 . 1 1 46 46 CYS N N 46 124.565 124.565 122.151 2.414 25436 250 1 1 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.285 -0.274 25436 251 1 1 . 1 1 46 46 CYS C C 46 172.072 172.072 172.332 -0.260 25436 252 1 1 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.265 0.719 25436 253 1 1 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.380 -2.051 25436 254 1 1 . 1 1 46 46 CYS H H 46 8.983 8.983 8.670 0.313 25436 255 1 1 . 1 1 47 47 SER N N 47 122.911 122.911 119.772 3.139 25436 256 1 1 . 1 1 47 47 SER HA H 47 4.906 4.906 4.818 0.088 25436 257 1 1 . 1 1 47 47 SER C C 47 171.848 171.848 171.669 0.179 25436 258 1 1 . 1 1 47 47 SER CA C 47 56.487 56.487 57.296 -0.809 25436 259 1 1 . 1 1 47 47 SER CB C 47 65.679 65.679 65.811 -0.132 25436 260 1 1 . 1 1 47 47 SER H H 47 8.568 8.568 9.172 -0.604 25436 261 1 1 . 1 1 48 48 VAL N N 48 121.488 121.488 120.384 1.104 25436 262 1 1 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.165 -0.023 25436 263 1 1 . 1 1 48 48 VAL C C 48 173.990 173.990 174.598 -0.608 25436 264 1 1 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.994 1.253 25436 265 1 1 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.127 -1.260 25436 266 1 1 . 1 1 48 48 VAL H H 48 8.588 8.588 8.367 0.221 25436 267 1 1 . 1 1 49 49 HIS N N 49 130.227 130.227 124.287 5.940 25436 268 1 1 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.636 -0.227 25436 269 1 1 . 1 1 49 49 HIS C C 49 173.949 173.949 173.734 0.215 25436 270 1 1 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.037 0.629 25436 271 1 1 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.373 -1.255 25436 272 1 1 . 1 1 49 49 HIS H H 49 8.380 8.380 8.482 -0.102 25436 273 1 1 . 1 1 50 50 LYS N N 50 121.171 121.171 119.746 1.425 25436 274 1 1 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.993 0.441 25436 275 1 1 . 1 1 50 50 LYS C C 50 175.527 175.527 177.546 -2.019 25436 276 1 1 . 1 1 50 50 LYS CA C 50 55.918 55.918 55.945 -0.027 25436 277 1 1 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.108 -1.687 25436 278 1 1 . 1 1 50 50 LYS H H 50 7.717 7.717 8.128 -0.411 25436 279 1 1 . 1 1 51 51 GLY N N 51 113.993 113.993 112.101 1.892 25436 280 1 1 . 1 1 51 51 GLY C C 51 174.252 174.252 172.958 1.294 25436 281 1 1 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.492 -1.085 25436 282 1 1 . 1 1 51 51 GLY H H 51 9.404 9.404 8.878 0.526 25436 283 1 1 . 1 1 52 52 PHE N N 52 112.326 112.326 114.943 -2.617 25436 284 1 1 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.667 -0.375 25436 285 1 1 . 1 1 52 52 PHE C C 52 171.605 171.605 172.961 -1.356 25436 286 1 1 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.269 0.985 25436 287 1 1 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.612 -0.571 25436 288 1 1 . 1 1 52 52 PHE H H 52 7.006 7.006 7.108 -0.102 25436 289 1 1 . 1 1 53 53 ALA N N 53 119.722 119.722 119.373 0.349 25436 290 1 1 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.891 -0.083 25436 291 1 1 . 1 1 53 53 ALA C C 53 173.029 173.029 174.516 -1.487 25436 292 1 1 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.010 -0.714 25436 293 1 1 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.510 2.289 25436 294 1 1 . 1 1 53 53 ALA H H 53 8.677 8.677 8.511 0.166 25436 295 1 1 . 1 1 54 54 PHE N N 54 112.104 112.104 116.079 -3.975 25436 296 1 1 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.633 -0.053 25436 297 1 1 . 1 1 54 54 PHE C C 54 175.794 175.794 174.346 1.448 25436 298 1 1 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.986 -0.272 25436 299 1 1 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.530 -0.244 25436 300 1 1 . 1 1 54 54 PHE H H 54 8.797 8.797 9.041 -0.244 25436 301 1 1 . 1 1 55 55 VAL N N 55 118.542 118.542 120.932 -2.390 25436 302 1 1 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.438 -0.225 25436 303 1 1 . 1 1 55 55 VAL C C 55 172.806 172.806 173.785 -0.979 25436 304 1 1 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.153 0.775 25436 305 1 1 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.757 -0.837 25436 306 1 1 . 1 1 55 55 VAL H H 55 8.295 8.295 8.651 -0.356 25436 307 1 1 . 1 1 56 56 GLN N N 56 128.473 128.473 125.041 3.432 25436 308 1 1 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.779 -0.209 25436 309 1 1 . 1 1 56 56 GLN C C 56 173.893 173.893 174.394 -0.501 25436 310 1 1 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.973 0.291 25436 311 1 1 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.727 1.343 25436 312 1 1 . 1 1 56 56 GLN H H 56 9.263 9.263 8.927 0.336 25436 313 1 1 . 1 1 57 57 TYR N N 57 127.679 127.679 125.364 2.315 25436 314 1 1 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.261 0.027 25436 315 1 1 . 1 1 57 57 TYR C C 57 175.609 175.609 177.217 -1.608 25436 316 1 1 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.389 1.279 25436 317 1 1 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.052 -0.018 25436 318 1 1 . 1 1 57 57 TYR H H 57 8.928 8.928 9.060 -0.132 25436 319 1 1 . 1 1 58 58 VAL N N 58 116.710 116.710 117.906 -1.196 25436 320 1 1 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.870 0.245 25436 321 1 1 . 1 1 58 58 VAL C C 58 175.859 175.859 174.723 1.136 25436 322 1 1 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.590 -0.532 25436 323 1 1 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.153 0.860 25436 324 1 1 . 1 1 58 58 VAL H H 58 9.479 9.479 8.633 0.846 25436 325 1 1 . 1 1 59 59 ASN N N 59 112.455 112.455 112.921 -0.466 25436 326 1 1 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.803 0.356 25436 327 1 1 . 1 1 59 59 ASN C C 59 174.482 174.482 175.244 -0.762 25436 328 1 1 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.895 0.047 25436 329 1 1 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.251 1.941 25436 330 1 1 . 1 1 59 59 ASN H H 59 7.218 7.218 7.518 -0.300 25436 331 1 1 . 1 1 60 60 GLU N N 60 124.337 124.337 121.244 3.093 25436 332 1 1 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.264 0.055 25436 333 1 1 . 1 1 60 60 GLU C C 60 178.201 178.201 178.163 0.038 25436 334 1 1 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.548 -0.808 25436 335 1 1 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.977 0.380 25436 336 1 1 . 1 1 60 60 GLU H H 60 8.808 8.808 8.973 -0.165 25436 337 1 1 . 1 1 61 61 ARG N N 61 118.265 118.265 119.802 -1.537 25436 338 1 1 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.016 -0.019 25436 339 1 1 . 1 1 61 61 ARG C C 61 179.340 179.340 178.599 0.741 25436 340 1 1 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.648 0.831 25436 341 1 1 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.288 0.066 25436 342 1 1 . 1 1 61 61 ARG H H 61 8.630 8.630 7.900 0.730 25436 343 1 1 . 1 1 62 62 ASN N N 62 118.081 118.081 117.846 0.235 25436 344 1 1 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.267 0.013 25436 345 1 1 . 1 1 62 62 ASN C C 62 174.851 174.851 176.754 -1.903 25436 346 1 1 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.184 0.268 25436 347 1 1 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.282 0.737 25436 348 1 1 . 1 1 62 62 ASN H H 62 7.785 7.785 8.917 -1.132 25436 349 1 1 . 1 1 63 63 ALA N N 63 119.543 119.543 123.236 -3.693 25436 350 1 1 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.429 -0.673 25436 351 1 1 . 1 1 63 63 ALA C C 63 178.861 178.861 179.500 -0.639 25436 352 1 1 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.123 -0.162 25436 353 1 1 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.744 -0.204 25436 354 1 1 . 1 1 63 63 ALA H H 63 6.779 6.779 7.381 -0.602 25436 355 1 1 . 1 1 64 64 ARG N N 64 114.965 114.965 117.329 -2.364 25436 356 1 1 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.065 -0.223 25436 357 1 1 . 1 1 64 64 ARG C C 64 179.775 179.775 178.544 1.231 25436 358 1 1 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.405 2.785 25436 359 1 1 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.353 -0.040 25436 360 1 1 . 1 1 64 64 ARG H H 64 8.755 8.755 8.295 0.460 25436 361 1 1 . 1 1 65 65 ALA N N 65 123.704 123.704 121.707 1.997 25436 362 1 1 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.055 0.075 25436 363 1 1 . 1 1 65 65 ALA C C 65 179.560 179.560 178.374 1.186 25436 364 1 1 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.755 0.223 25436 365 1 1 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.218 -0.326 25436 366 1 1 . 1 1 65 65 ALA H H 65 7.823 7.823 7.505 0.318 25436 367 1 1 . 1 1 66 66 ALA N N 66 123.797 123.797 118.974 4.823 25436 368 1 1 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.661 -1.585 25436 369 1 1 . 1 1 66 66 ALA C C 66 179.259 179.259 179.307 -0.048 25436 370 1 1 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.054 0.234 25436 371 1 1 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.295 -0.020 25436 372 1 1 . 1 1 66 66 ALA H H 66 7.545 7.545 7.473 0.072 25436 373 1 1 . 1 1 67 67 VAL N N 67 116.549 116.549 117.955 -1.406 25436 374 1 1 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.815 -0.461 25436 375 1 1 . 1 1 67 67 VAL C C 67 177.744 177.744 176.512 1.232 25436 376 1 1 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.119 0.414 25436 377 1 1 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.679 0.290 25436 378 1 1 . 1 1 67 67 VAL H H 67 7.619 7.619 8.532 -0.913 25436 379 1 1 . 1 1 68 68 ALA N N 68 118.193 118.193 119.770 -1.577 25436 380 1 1 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.408 -0.281 25436 381 1 1 . 1 1 68 68 ALA C C 68 180.748 180.748 177.922 2.826 25436 382 1 1 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.886 1.475 25436 383 1 1 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.290 -1.162 25436 384 1 1 . 1 1 68 68 ALA H H 68 7.550 7.550 7.407 0.143 25436 385 1 1 . 1 1 69 69 GLY N N 69 103.773 103.773 106.032 -2.259 25436 386 1 1 . 1 1 69 69 GLY C C 69 175.626 175.626 175.354 0.272 25436 387 1 1 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.403 0.723 25436 388 1 1 . 1 1 69 69 GLY H H 69 8.140 8.140 7.461 0.679 25436 389 1 1 . 1 1 70 70 GLU N N 70 114.547 114.547 118.175 -3.628 25436 390 1 1 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.465 0.171 25436 391 1 1 . 1 1 70 70 GLU C C 70 176.391 176.391 175.104 1.287 25436 392 1 1 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.672 -0.513 25436 393 1 1 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.465 -0.200 25436 394 1 1 . 1 1 70 70 GLU H H 70 7.654 7.654 8.068 -0.414 25436 395 1 1 . 1 1 71 71 ASP N N 71 118.202 118.202 120.454 -2.252 25436 396 1 1 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.329 -0.042 25436 397 1 1 . 1 1 71 71 ASP C C 71 178.698 178.698 177.773 0.925 25436 398 1 1 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.136 1.395 25436 399 1 1 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.982 0.389 25436 400 1 1 . 1 1 71 71 ASP H H 71 8.020 8.020 7.559 0.461 25436 401 1 1 . 1 1 72 72 GLY N N 72 114.301 114.301 114.493 -0.192 25436 402 1 1 . 1 1 72 72 GLY C C 72 173.791 173.791 173.623 0.168 25436 403 1 1 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.212 0.547 25436 404 1 1 . 1 1 72 72 GLY H H 72 8.305 8.305 8.433 -0.128 25436 405 1 1 . 1 1 73 73 ARG N N 73 121.994 121.994 118.439 3.555 25436 406 1 1 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.546 -0.351 25436 407 1 1 . 1 1 73 73 ARG C C 73 175.187 175.187 175.056 0.131 25436 408 1 1 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.750 1.752 25436 409 1 1 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.834 -0.582 25436 410 1 1 . 1 1 73 73 ARG H H 73 7.980 7.980 7.732 0.248 25436 411 1 1 . 1 1 74 74 MET N N 74 125.081 125.081 122.080 3.001 25436 412 1 1 . 1 1 74 74 MET HA H 74 4.823 4.823 5.175 -0.352 25436 413 1 1 . 1 1 74 74 MET C C 74 175.726 175.726 175.119 0.607 25436 414 1 1 . 1 1 74 74 MET CA C 74 55.029 55.029 55.254 -0.225 25436 415 1 1 . 1 1 74 74 MET CB C 74 33.092 33.092 34.704 -1.612 25436 416 1 1 . 1 1 74 74 MET H H 74 8.712 8.712 8.436 0.276 25436 417 1 1 . 1 1 75 75 ILE N N 75 127.490 127.490 125.261 2.229 25436 418 1 1 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.494 -0.112 25436 419 1 1 . 1 1 75 75 ILE C C 75 175.276 175.276 175.383 -0.107 25436 420 1 1 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.743 -0.939 25436 421 1 1 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.379 -0.983 25436 422 1 1 . 1 1 75 75 ILE H H 75 8.589 8.589 9.013 -0.424 25436 423 1 1 . 1 1 76 76 ALA N N 76 132.147 132.147 129.994 2.153 25436 424 1 1 . 1 1 76 76 ALA HA H 76 4.038 4.038 3.999 0.039 25436 425 1 1 . 1 1 76 76 ALA C C 76 177.205 177.205 177.534 -0.329 25436 426 1 1 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.031 -1.097 25436 427 1 1 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.296 -0.148 25436 428 1 1 . 1 1 76 76 ALA H H 76 9.547 9.547 8.851 0.696 25436 429 1 1 . 1 1 77 77 GLY N N 77 101.695 101.695 102.087 -0.392 25436 430 1 1 . 1 1 77 77 GLY C C 77 174.205 174.205 174.600 -0.395 25436 431 1 1 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.863 0.900 25436 432 1 1 . 1 1 77 77 GLY H H 77 8.445 8.445 8.223 0.222 25436 433 1 1 . 1 1 78 78 GLN N N 78 119.020 119.020 118.937 0.083 25436 434 1 1 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.790 -0.061 25436 435 1 1 . 1 1 78 78 GLN C C 78 174.046 174.046 174.391 -0.345 25436 436 1 1 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.005 0.190 25436 437 1 1 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.270 -0.381 25436 438 1 1 . 1 1 78 78 GLN H H 78 7.720 7.720 7.976 -0.256 25436 439 1 1 . 1 1 79 79 VAL N N 79 123.374 123.374 121.202 2.172 25436 440 1 1 . 1 1 79 79 VAL HA H 79 4.012 4.012 5.052 -1.040 25436 441 1 1 . 1 1 79 79 VAL C C 79 176.347 176.347 175.594 0.753 25436 442 1 1 . 1 1 79 79 VAL CA C 79 62.655 62.655 60.851 1.804 25436 443 1 1 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.200 -1.116 25436 444 1 1 . 1 1 79 79 VAL H H 79 8.532 8.532 8.331 0.201 25436 445 1 1 . 1 1 80 80 LEU N N 80 128.569 128.569 122.221 6.348 25436 446 1 1 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.945 -0.658 25436 447 1 1 . 1 1 80 80 LEU C C 80 176.521 176.521 175.298 1.223 25436 448 1 1 . 1 1 80 80 LEU CA C 80 56.063 56.063 51.974 4.089 25436 449 1 1 . 1 1 80 80 LEU CB C 80 42.821 42.821 42.973 -0.152 25436 450 1 1 . 1 1 80 80 LEU H H 80 9.014 9.014 8.137 0.877 25436 451 1 1 . 1 1 81 81 ASP N N 81 124.359 124.359 122.364 1.995 25436 452 1 1 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.137 0.088 25436 453 1 1 . 1 1 81 81 ASP C C 81 174.659 174.659 175.338 -0.679 25436 454 1 1 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.933 0.022 25436 455 1 1 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.685 0.987 25436 456 1 1 . 1 1 81 81 ASP H H 81 7.850 7.850 8.384 -0.534 25436 457 1 1 . 1 1 82 82 ILE N N 82 123.155 123.155 126.556 -3.401 25436 458 1 1 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.948 0.454 25436 459 1 1 . 1 1 82 82 ILE C C 82 174.520 174.520 175.278 -0.758 25436 460 1 1 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.160 -0.928 25436 461 1 1 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.742 1.221 25436 462 1 1 . 1 1 82 82 ILE H H 82 9.086 9.086 8.546 0.540 25436 463 1 1 . 1 1 83 83 ASN N N 83 116.417 116.417 122.405 -5.988 25436 464 1 1 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.952 -0.105 25436 465 1 1 . 1 1 83 83 ASN C C 83 174.565 174.565 173.666 0.899 25436 466 1 1 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.053 0.995 25436 467 1 1 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.276 0.834 25436 468 1 1 . 1 1 83 83 ASN H H 83 8.495 8.495 8.507 -0.012 25436 469 1 1 . 1 1 84 84 LEU N N 84 123.786 123.786 122.601 1.185 25436 470 1 1 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.395 0.327 25436 471 1 1 . 1 1 84 84 LEU C C 84 180.968 180.968 178.506 2.462 25436 472 1 1 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.052 0.248 25436 473 1 1 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.649 -1.333 25436 474 1 1 . 1 1 84 84 LEU H H 84 9.427 9.427 8.834 0.593 25436 475 1 1 . 1 1 85 85 ALA N N 85 127.571 127.571 127.316 0.255 25436 476 1 1 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.365 -0.317 25436 477 1 1 . 1 1 85 85 ALA C C 85 177.931 177.931 176.649 1.282 25436 478 1 1 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.123 2.173 25436 479 1 1 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.122 -1.169 25436 480 1 1 . 1 1 85 85 ALA H H 85 9.295 9.295 8.350 0.945 25436 481 1 1 . 1 1 86 86 ALA N N 86 115.985 115.985 118.336 -2.351 25436 482 1 1 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.418 -0.007 25436 483 1 1 . 1 1 86 86 ALA C C 86 176.152 176.152 176.706 -0.554 25436 484 1 1 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.970 -0.198 25436 485 1 1 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.244 0.081 25436 486 1 1 . 1 1 86 86 ALA H H 86 8.657 8.657 8.134 0.523 25436 487 1 1 . 1 1 87 87 GLU N N 87 118.975 118.975 119.647 -0.672 25436 488 1 1 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.621 0.114 25436 489 1 1 . 1 1 87 87 GLU C C 87 171.676 171.676 174.024 -2.348 25436 490 1 1 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.394 -0.246 25436 491 1 1 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.972 -0.056 25436 492 1 1 . 1 1 87 87 GLU H H 87 7.913 7.913 7.691 0.222 25436 493 1 1 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.503 -0.155 25436 494 1 1 . 1 1 88 88 PRO C C 88 177.303 177.303 176.286 1.017 25436 495 1 1 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.394 -0.516 25436 496 1 1 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.420 -0.518 25436 497 1 1 . 1 1 89 89 LYS N N 89 121.335 121.335 122.792 -1.457 25436 498 1 1 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.325 -0.085 25436 499 1 1 . 1 1 89 89 LYS C C 89 177.689 177.689 176.206 1.483 25436 500 1 1 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.703 0.048 25436 501 1 1 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.183 0.253 25436 502 1 1 . 1 1 89 89 LYS H H 89 8.020 8.020 8.389 -0.369 25436 503 1 1 . 1 1 90 90 VAL N N 90 120.786 120.786 120.036 0.750 25436 504 1 1 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.028 -0.106 25436 505 1 1 . 1 1 90 90 VAL C C 90 176.169 176.169 175.772 0.397 25436 506 1 1 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.956 1.342 25436 507 1 1 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.608 -1.341 25436 508 1 1 . 1 1 90 90 VAL H H 90 8.232 8.232 7.829 0.403 25436 509 1 1 . 1 1 91 91 ASN N N 91 119.214 119.214 122.009 -2.795 25436 510 1 1 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.694 -0.035 25436 511 1 1 . 1 1 91 91 ASN C C 91 175.172 175.172 175.173 -0.001 25436 512 1 1 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.585 -0.557 25436 513 1 1 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.612 -0.443 25436 514 1 1 . 1 1 91 91 ASN H H 91 8.453 8.453 8.854 -0.401 25436 515 1 1 . 1 1 92 92 ARG N N 92 120.709 120.709 116.455 4.254 25436 516 1 1 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.057 0.197 25436 517 1 1 . 1 1 92 92 ARG C C 92 176.991 176.991 176.504 0.487 25436 518 1 1 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.943 -0.443 25436 519 1 1 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.063 2.544 25436 520 1 1 . 1 1 92 92 ARG H H 92 7.925 7.925 8.338 -0.413 25436 521 1 1 . 1 1 93 93 GLY N N 93 110.299 110.299 106.423 3.876 25436 522 1 1 . 1 1 93 93 GLY C C 93 174.245 174.245 174.402 -0.157 25436 523 1 1 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.750 0.666 25436 524 1 1 . 1 1 93 93 GLY H H 93 8.593 8.593 8.557 0.036 25436 525 1 1 . 1 1 94 94 LYS N N 94 120.781 120.781 115.899 4.882 25436 526 1 1 . 1 1 94 94 LYS HA H 94 4.294 4.294 4.073 0.221 25436 527 1 1 . 1 1 94 94 LYS C C 94 176.524 176.524 175.410 1.114 25436 528 1 1 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.646 -1.539 25436 529 1 1 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.591 1.549 25436 530 1 1 . 1 1 94 94 LYS H H 94 8.126 8.126 8.195 -0.069 25436 531 1 1 . 1 1 95 95 ALA N N 95 125.012 125.012 117.874 7.138 25436 532 1 1 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.556 -0.257 25436 533 1 1 . 1 1 95 95 ALA C C 95 178.324 178.324 177.553 0.771 25436 534 1 1 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.113 0.688 25436 535 1 1 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.576 -1.398 25436 536 1 1 . 1 1 95 95 ALA H H 95 8.435 8.435 7.628 0.807 25436 537 1 1 . 1 1 96 96 GLY N N 96 108.312 108.312 107.221 1.091 25436 538 1 1 . 1 1 96 96 GLY C C 96 174.095 174.095 174.837 -0.742 25436 539 1 1 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.080 -0.798 25436 540 1 1 . 1 1 96 96 GLY H H 96 8.414 8.414 8.212 0.202 25436 541 1 1 . 1 1 97 97 VAL N N 97 119.818 119.818 118.849 0.969 25436 542 1 1 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.066 0.006 25436 543 1 1 . 1 1 97 97 VAL C C 97 176.155 176.155 176.531 -0.376 25436 544 1 1 . 1 1 97 97 VAL CA C 97 62.344 62.344 64.010 -1.667 25436 545 1 1 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.882 0.875 25436 546 1 1 . 1 1 97 97 VAL H H 97 7.919 7.919 8.096 -0.177 25436 547 1 1 . 1 1 98 98 LYS N N 98 125.912 125.912 120.225 5.687 25436 548 1 1 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.327 0.006 25436 549 1 1 . 1 1 98 98 LYS C C 98 176.426 176.426 176.554 -0.128 25436 550 1 1 . 1 1 98 98 LYS CA C 98 56.169 56.169 56.177 -0.008 25436 551 1 1 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.556 0.492 25436 552 1 1 . 1 1 98 98 LYS H H 98 8.466 8.466 7.887 0.579 25436 553 1 1 . 1 1 99 99 ARG N N 99 123.544 123.544 121.097 2.447 25436 554 1 1 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.558 -0.189 25436 555 1 1 . 1 1 99 99 ARG C C 99 176.230 176.230 175.234 0.996 25436 556 1 1 . 1 1 99 99 ARG CA C 99 55.994 55.994 54.925 1.069 25436 557 1 1 . 1 1 99 99 ARG CB C 99 31.164 31.164 32.140 -0.976 25436 558 1 1 . 1 1 99 99 ARG H H 99 8.468 8.468 8.437 0.031 25436 559 1 1 . 1 1 100 100 SER N N 100 117.781 117.781 115.153 2.628 25436 560 1 1 . 1 1 100 100 SER HA H 100 4.452 4.452 4.585 -0.133 25436 561 1 1 . 1 1 100 100 SER C C 100 174.555 174.555 176.205 -1.650 25436 562 1 1 . 1 1 100 100 SER CA C 100 58.036 58.036 56.996 1.040 25436 563 1 1 . 1 1 100 100 SER CB C 100 64.139 64.139 64.555 -0.416 25436 564 1 1 . 1 1 100 100 SER H H 100 8.507 8.507 8.290 0.217 25436 565 1 1 . 1 1 101 101 ALA N N 101 126.090 126.090 127.860 -1.770 25436 566 1 1 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.284 -0.014 25436 567 1 1 . 1 1 101 101 ALA C C 101 178.046 178.046 177.501 0.545 25436 568 1 1 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.797 -0.527 25436 569 1 1 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.228 0.804 25436 570 1 1 . 1 1 101 101 ALA H H 101 8.529 8.529 8.641 -0.112 25436 571 1 1 . 1 1 102 102 ALA N N 102 121.750 121.750 118.936 2.814 25436 572 1 1 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.539 -0.312 25436 573 1 1 . 1 1 102 102 ALA C C 102 178.253 178.253 178.181 0.072 25436 574 1 1 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.668 0.327 25436 575 1 1 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.901 -0.823 25436 576 1 1 . 1 1 102 102 ALA H H 102 8.219 8.219 7.460 0.759 25436 577 1 1 . 1 1 103 103 GLU N N 103 118.819 118.819 117.972 0.847 25436 578 1 1 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.439 -0.237 25436 579 1 1 . 1 1 103 103 GLU C C 103 176.515 176.515 176.065 0.450 25436 580 1 1 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.546 1.123 25436 581 1 1 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.289 -0.127 25436 582 1 1 . 1 1 103 103 GLU H H 103 8.100 8.100 7.870 0.230 25436 583 1 1 . 1 1 104 104 MET N N 104 120.178 120.178 119.354 0.824 25436 584 1 1 . 1 1 104 104 MET HA H 104 4.332 4.332 4.106 0.226 25436 585 1 1 . 1 1 104 104 MET C C 104 175.861 175.861 177.622 -1.761 25436 586 1 1 . 1 1 104 104 MET CA C 104 55.869 55.869 54.595 1.274 25436 587 1 1 . 1 1 104 104 MET CB C 104 32.993 32.993 32.770 0.223 25436 588 1 1 . 1 1 104 104 MET H H 104 8.086 8.086 7.594 0.492 25436 589 1 1 . 1 1 105 105 TYR N N 105 120.369 120.369 119.446 0.923 25436 590 1 1 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.361 0.291 25436 591 1 1 . 1 1 105 105 TYR C C 105 175.318 175.318 177.169 -1.851 25436 592 1 1 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.395 -0.811 25436 593 1 1 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.369 0.522 25436 594 1 1 . 1 1 105 105 TYR H H 105 8.137 8.137 8.367 -0.230 25436 595 1 2 . 1 1 3 3 SER HA H 3 4.564 4.564 4.448 0.116 25436 596 1 2 . 1 1 3 3 SER C C 3 173.407 173.407 174.694 -1.287 25436 597 1 2 . 1 1 3 3 SER CA C 3 58.309 58.309 56.730 1.579 25436 598 1 2 . 1 1 3 3 SER CB C 3 63.980 63.980 63.627 0.353 25436 599 1 2 . 1 1 4 4 ASN N N 4 120.204 120.204 118.792 1.412 25436 600 1 2 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.085 0.132 25436 601 1 2 . 1 1 4 4 ASN C C 4 176.242 176.242 174.029 2.213 25436 602 1 2 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.439 0.596 25436 603 1 2 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.814 -0.099 25436 604 1 2 . 1 1 4 4 ASN H H 4 8.783 8.783 8.596 0.187 25436 605 1 2 . 1 1 5 5 VAL N N 5 122.598 122.598 119.914 2.684 25436 606 1 2 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.314 -0.544 25436 607 1 2 . 1 1 5 5 VAL C C 5 177.222 177.222 174.568 2.654 25436 608 1 2 . 1 1 5 5 VAL CA C 5 65.806 65.806 60.334 5.473 25436 609 1 2 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.734 -2.879 25436 610 1 2 . 1 1 5 5 VAL H H 5 8.326 8.326 7.523 0.803 25436 611 1 2 . 1 1 6 6 THR N N 6 118.450 118.450 117.427 1.023 25436 612 1 2 . 1 1 6 6 THR HA H 6 4.682 4.682 4.620 0.062 25436 613 1 2 . 1 1 6 6 THR C C 6 174.349 174.349 173.624 0.725 25436 614 1 2 . 1 1 6 6 THR CA C 6 60.542 60.542 61.438 -0.896 25436 615 1 2 . 1 1 6 6 THR CB C 6 69.771 69.771 69.631 0.140 25436 616 1 2 . 1 1 6 6 THR H H 6 9.391 9.391 8.252 1.139 25436 617 1 2 . 1 1 7 7 ASN N N 7 120.847 120.847 118.871 1.976 25436 618 1 2 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.519 0.036 25436 619 1 2 . 1 1 7 7 ASN C C 7 176.863 176.863 175.740 1.123 25436 620 1 2 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.931 -1.022 25436 621 1 2 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.597 0.461 25436 622 1 2 . 1 1 7 7 ASN H H 7 7.970 7.970 7.933 0.037 25436 623 1 2 . 1 1 8 8 LYS N N 8 121.736 121.736 121.320 0.416 25436 624 1 2 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.251 0.003 25436 625 1 2 . 1 1 8 8 LYS C C 8 180.141 180.141 176.655 3.486 25436 626 1 2 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.430 1.791 25436 627 1 2 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.965 -0.675 25436 628 1 2 . 1 1 8 8 LYS H H 8 8.577 8.577 8.040 0.537 25436 629 1 2 . 1 1 9 9 THR N N 9 110.800 110.800 110.728 0.072 25436 630 1 2 . 1 1 9 9 THR HA H 9 4.467 4.467 4.432 0.035 25436 631 1 2 . 1 1 9 9 THR C C 9 174.484 174.484 173.793 0.691 25436 632 1 2 . 1 1 9 9 THR CA C 9 61.242 61.242 60.907 0.335 25436 633 1 2 . 1 1 9 9 THR CB C 9 69.009 69.009 69.361 -0.352 25436 634 1 2 . 1 1 9 9 THR H H 9 8.695 8.695 8.307 0.388 25436 635 1 2 . 1 1 10 10 ASP N N 10 120.937 120.937 125.007 -4.070 25436 636 1 2 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.868 -0.045 25436 637 1 2 . 1 1 10 10 ASP C C 10 173.945 173.945 175.593 -1.648 25436 638 1 2 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.513 -1.026 25436 639 1 2 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.565 -2.015 25436 640 1 2 . 1 1 10 10 ASP H H 10 7.908 7.908 7.695 0.213 25436 641 1 2 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.348 -0.198 25436 642 1 2 . 1 1 11 11 PRO C C 11 178.420 178.420 176.136 2.284 25436 643 1 2 . 1 1 11 11 PRO CA C 11 66.213 66.213 65.178 1.035 25436 644 1 2 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.871 0.284 25436 645 1 2 . 1 1 12 12 ARG N N 12 116.349 116.349 112.348 4.001 25436 646 1 2 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.653 -0.558 25436 647 1 2 . 1 1 12 12 ARG C C 12 180.445 180.445 176.217 4.228 25436 648 1 2 . 1 1 12 12 ARG CA C 12 59.571 59.571 55.818 3.753 25436 649 1 2 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.186 0.049 25436 650 1 2 . 1 1 12 12 ARG H H 12 7.944 7.944 7.980 -0.036 25436 651 1 2 . 1 1 13 13 SER N N 13 119.401 119.401 114.146 5.255 25436 652 1 2 . 1 1 13 13 SER HA H 13 4.053 4.053 4.716 -0.663 25436 653 1 2 . 1 1 13 13 SER C C 13 175.325 175.325 175.787 -0.462 25436 654 1 2 . 1 1 13 13 SER CA C 13 61.500 61.500 59.249 2.251 25436 655 1 2 . 1 1 13 13 SER CB C 13 61.798 61.798 64.485 -2.687 25436 656 1 2 . 1 1 13 13 SER H H 13 8.152 8.152 7.450 0.702 25436 657 1 2 . 1 1 14 14 MET N N 14 120.254 120.254 118.733 1.521 25436 658 1 2 . 1 1 14 14 MET HA H 14 4.090 4.090 4.307 -0.217 25436 659 1 2 . 1 1 14 14 MET C C 14 178.575 178.575 175.765 2.810 25436 660 1 2 . 1 1 14 14 MET CA C 14 58.317 58.317 57.825 0.492 25436 661 1 2 . 1 1 14 14 MET CB C 14 31.466 31.466 32.974 -1.508 25436 662 1 2 . 1 1 14 14 MET H H 14 8.241 8.241 7.786 0.455 25436 663 1 2 . 1 1 15 15 ASN N N 15 115.299 115.299 110.314 4.985 25436 664 1 2 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.827 -0.201 25436 665 1 2 . 1 1 15 15 ASN C C 15 172.554 172.554 175.499 -2.945 25436 666 1 2 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.065 0.995 25436 667 1 2 . 1 1 15 15 ASN CB C 15 38.796 38.796 38.983 -0.188 25436 668 1 2 . 1 1 15 15 ASN H H 15 7.962 7.962 8.088 -0.126 25436 669 1 2 . 1 1 16 16 SER N N 16 106.079 106.079 112.636 -6.557 25436 670 1 2 . 1 1 16 16 SER HA H 16 4.500 4.500 4.769 -0.269 25436 671 1 2 . 1 1 16 16 SER C C 16 172.120 172.120 173.695 -1.575 25436 672 1 2 . 1 1 16 16 SER CA C 16 56.814 56.814 57.789 -0.975 25436 673 1 2 . 1 1 16 16 SER CB C 16 63.439 63.439 63.854 -0.415 25436 674 1 2 . 1 1 16 16 SER H H 16 7.249 7.249 7.775 -0.526 25436 675 1 2 . 1 1 17 17 ARG N N 17 123.335 123.335 121.630 1.705 25436 676 1 2 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.232 0.353 25436 677 1 2 . 1 1 17 17 ARG C C 17 174.490 174.490 174.538 -0.048 25436 678 1 2 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.900 -0.536 25436 679 1 2 . 1 1 17 17 ARG CB C 17 32.858 32.858 34.181 -1.323 25436 680 1 2 . 1 1 17 17 ARG H H 17 7.400 7.400 7.681 -0.281 25436 681 1 2 . 1 1 18 18 VAL N N 18 122.241 122.241 122.150 0.091 25436 682 1 2 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.727 -0.010 25436 683 1 2 . 1 1 18 18 VAL C C 18 174.862 174.862 174.377 0.485 25436 684 1 2 . 1 1 18 18 VAL CA C 18 60.723 60.723 60.851 -0.128 25436 685 1 2 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.847 0.434 25436 686 1 2 . 1 1 18 18 VAL H H 18 9.264 9.264 8.909 0.355 25436 687 1 2 . 1 1 19 19 PHE N N 19 125.933 125.933 128.821 -2.888 25436 688 1 2 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.299 0.167 25436 689 1 2 . 1 1 19 19 PHE C C 19 171.966 171.966 173.443 -1.477 25436 690 1 2 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.196 1.927 25436 691 1 2 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.895 -0.950 25436 692 1 2 . 1 1 19 19 PHE H H 19 9.162 9.162 9.210 -0.048 25436 693 1 2 . 1 1 20 20 ILE N N 20 126.425 126.425 126.773 -0.348 25436 694 1 2 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.132 -0.263 25436 695 1 2 . 1 1 20 20 ILE C C 20 173.048 173.048 174.064 -1.016 25436 696 1 2 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.051 -0.721 25436 697 1 2 . 1 1 20 20 ILE CB C 20 39.035 39.035 39.075 -0.040 25436 698 1 2 . 1 1 20 20 ILE H H 20 7.723 7.723 7.956 -0.233 25436 699 1 2 . 1 1 21 21 GLY N N 21 113.255 113.255 111.394 1.861 25436 700 1 2 . 1 1 21 21 GLY C C 21 173.768 173.768 174.310 -0.542 25436 701 1 2 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.868 1.062 25436 702 1 2 . 1 1 21 21 GLY H H 21 8.498 8.498 8.431 0.067 25436 703 1 2 . 1 1 22 22 ASN N N 22 116.172 116.172 115.585 0.587 25436 704 1 2 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.288 0.141 25436 705 1 2 . 1 1 22 22 ASN C C 22 174.204 174.204 174.642 -0.438 25436 706 1 2 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.212 -0.694 25436 707 1 2 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.439 0.336 25436 708 1 2 . 1 1 22 22 ASN H H 22 7.227 7.227 8.443 -1.216 25436 709 1 2 . 1 1 23 23 LEU N N 23 119.429 119.429 119.145 0.284 25436 710 1 2 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.312 -0.369 25436 711 1 2 . 1 1 23 23 LEU C C 23 176.550 176.550 177.344 -0.794 25436 712 1 2 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.536 -1.959 25436 713 1 2 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.369 0.999 25436 714 1 2 . 1 1 23 23 LEU H H 23 7.110 7.110 7.359 -0.249 25436 715 1 2 . 1 1 24 24 ASN N N 24 122.292 122.292 121.978 0.314 25436 716 1 2 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.554 0.518 25436 717 1 2 . 1 1 24 24 ASN C C 24 175.830 175.830 175.767 0.063 25436 718 1 2 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.508 -4.007 25436 719 1 2 . 1 1 24 24 ASN CB C 24 35.591 35.591 37.970 -2.379 25436 720 1 2 . 1 1 24 24 ASN H H 24 8.975 8.975 8.927 0.048 25436 721 1 2 . 1 1 25 25 THR N N 25 118.371 118.371 107.734 10.637 25436 722 1 2 . 1 1 25 25 THR HA H 25 4.411 4.411 3.949 0.462 25436 723 1 2 . 1 1 25 25 THR C C 25 175.285 175.285 174.535 0.750 25436 724 1 2 . 1 1 25 25 THR CA C 25 63.453 63.453 63.716 -0.263 25436 725 1 2 . 1 1 25 25 THR CB C 25 67.150 67.150 67.638 -0.488 25436 726 1 2 . 1 1 25 25 THR H H 25 8.466 8.466 8.310 0.156 25436 727 1 2 . 1 1 26 26 LEU N N 26 121.017 121.017 117.191 3.826 25436 728 1 2 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.397 -0.190 25436 729 1 2 . 1 1 26 26 LEU C C 26 178.243 178.243 177.143 1.100 25436 730 1 2 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.715 1.024 25436 731 1 2 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.270 -1.137 25436 732 1 2 . 1 1 26 26 LEU H H 26 7.583 7.583 8.092 -0.509 25436 733 1 2 . 1 1 27 27 VAL N N 27 115.968 115.968 115.731 0.237 25436 734 1 2 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.216 -0.191 25436 735 1 2 . 1 1 27 27 VAL C C 27 175.199 175.199 175.897 -0.698 25436 736 1 2 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.311 0.898 25436 737 1 2 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.778 2.404 25436 738 1 2 . 1 1 27 27 VAL H H 27 6.846 6.846 7.498 -0.652 25436 739 1 2 . 1 1 28 28 VAL N N 28 121.753 121.753 120.982 0.771 25436 740 1 2 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.039 -0.172 25436 741 1 2 . 1 1 28 28 VAL C C 28 174.351 174.351 175.066 -0.715 25436 742 1 2 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.109 1.071 25436 743 1 2 . 1 1 28 28 VAL CB C 28 32.045 32.045 32.830 -0.785 25436 744 1 2 . 1 1 28 28 VAL H H 28 8.389 8.389 7.680 0.709 25436 745 1 2 . 1 1 29 29 LYS N N 29 124.108 124.108 122.318 1.790 25436 746 1 2 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.534 0.094 25436 747 1 2 . 1 1 29 29 LYS C C 29 177.958 177.958 176.565 1.393 25436 748 1 2 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.014 -0.354 25436 749 1 2 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.473 -0.017 25436 750 1 2 . 1 1 29 29 LYS H H 29 8.929 8.929 8.106 0.823 25436 751 1 2 . 1 1 30 30 LYS N N 30 123.352 123.352 122.370 0.982 25436 752 1 2 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.870 -0.207 25436 753 1 2 . 1 1 30 30 LYS C C 30 177.638 177.638 178.178 -0.540 25436 754 1 2 . 1 1 30 30 LYS CA C 30 61.400 61.400 60.026 1.373 25436 755 1 2 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.214 0.442 25436 756 1 2 . 1 1 30 30 LYS H H 30 8.994 8.994 8.749 0.245 25436 757 1 2 . 1 1 31 31 SER N N 31 111.491 111.491 109.720 1.771 25436 758 1 2 . 1 1 31 31 SER HA H 31 4.175 4.175 4.621 -0.446 25436 759 1 2 . 1 1 31 31 SER C C 31 177.616 177.616 175.037 2.579 25436 760 1 2 . 1 1 31 31 SER CA C 31 61.402 61.402 59.358 2.045 25436 761 1 2 . 1 1 31 31 SER CB C 31 61.541 61.541 62.692 -1.151 25436 762 1 2 . 1 1 31 31 SER H H 31 8.686 8.686 8.281 0.405 25436 763 1 2 . 1 1 32 32 ASP N N 32 122.114 122.114 122.764 -0.650 25436 764 1 2 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.742 -0.218 25436 765 1 2 . 1 1 32 32 ASP C C 32 178.193 178.193 178.388 -0.195 25436 766 1 2 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.522 0.673 25436 767 1 2 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.730 0.083 25436 768 1 2 . 1 1 32 32 ASP H H 32 7.147 7.147 7.834 -0.687 25436 769 1 2 . 1 1 33 33 VAL N N 33 120.064 120.064 121.173 -1.109 25436 770 1 2 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.782 -0.314 25436 771 1 2 . 1 1 33 33 VAL C C 33 178.623 178.623 177.013 1.610 25436 772 1 2 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.412 0.925 25436 773 1 2 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.987 -0.691 25436 774 1 2 . 1 1 33 33 VAL H H 33 7.939 7.939 7.905 0.034 25436 775 1 2 . 1 1 34 34 GLU N N 34 118.713 118.713 116.064 2.649 25436 776 1 2 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.223 -0.464 25436 777 1 2 . 1 1 34 34 GLU C C 34 178.700 178.700 176.503 2.197 25436 778 1 2 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.196 3.307 25436 779 1 2 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.215 0.115 25436 780 1 2 . 1 1 34 34 GLU H H 34 8.641 8.641 8.030 0.611 25436 781 1 2 . 1 1 35 35 ALA N N 35 121.519 121.519 121.098 0.421 25436 782 1 2 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.614 -0.464 25436 783 1 2 . 1 1 35 35 ALA C C 35 180.482 180.482 178.081 2.401 25436 784 1 2 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.630 2.912 25436 785 1 2 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.516 -2.459 25436 786 1 2 . 1 1 35 35 ALA H H 35 7.818 7.818 7.665 0.153 25436 787 1 2 . 1 1 36 36 ILE N N 36 117.410 117.410 118.230 -0.820 25436 788 1 2 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.142 -0.474 25436 789 1 2 . 1 1 36 36 ILE C C 36 178.664 178.664 176.432 2.232 25436 790 1 2 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.948 1.842 25436 791 1 2 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.375 0.410 25436 792 1 2 . 1 1 36 36 ILE H H 36 7.778 7.778 7.646 0.132 25436 793 1 2 . 1 1 37 37 PHE N N 37 113.502 113.502 117.010 -3.508 25436 794 1 2 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.833 -0.470 25436 795 1 2 . 1 1 37 37 PHE C C 37 179.622 179.622 177.280 2.342 25436 796 1 2 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.684 4.019 25436 797 1 2 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.555 -3.371 25436 798 1 2 . 1 1 37 37 PHE H H 37 8.587 8.587 7.796 0.791 25436 799 1 2 . 1 1 38 38 SER N N 38 122.010 122.010 115.744 6.266 25436 800 1 2 . 1 1 38 38 SER HA H 38 4.819 4.819 4.747 0.072 25436 801 1 2 . 1 1 38 38 SER C C 38 175.438 175.438 175.652 -0.214 25436 802 1 2 . 1 1 38 38 SER CA C 38 61.462 61.462 59.396 2.066 25436 803 1 2 . 1 1 38 38 SER CB C 38 62.737 62.737 62.791 -0.054 25436 804 1 2 . 1 1 38 38 SER H H 38 8.827 8.827 8.748 0.079 25436 805 1 2 . 1 1 39 39 LYS N N 39 119.345 119.345 117.243 2.102 25436 806 1 2 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.238 -0.271 25436 807 1 2 . 1 1 39 39 LYS C C 39 177.063 177.063 176.592 0.471 25436 808 1 2 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.468 0.791 25436 809 1 2 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.714 -0.152 25436 810 1 2 . 1 1 39 39 LYS H H 39 7.057 7.057 8.075 -1.018 25436 811 1 2 . 1 1 40 40 TYR N N 40 114.420 114.420 119.116 -4.696 25436 812 1 2 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.587 -0.306 25436 813 1 2 . 1 1 40 40 TYR C C 40 174.841 174.841 174.387 0.454 25436 814 1 2 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.376 1.480 25436 815 1 2 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.299 -1.938 25436 816 1 2 . 1 1 40 40 TYR H H 40 6.956 6.956 7.537 -0.581 25436 817 1 2 . 1 1 41 41 GLY N N 41 106.506 106.506 105.346 1.160 25436 818 1 2 . 1 1 41 41 GLY C C 41 170.572 170.572 172.141 -1.569 25436 819 1 2 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.350 -0.779 25436 820 1 2 . 1 1 41 41 GLY H H 41 7.430 7.430 7.416 0.014 25436 821 1 2 . 1 1 42 42 LYS N N 42 117.771 117.771 121.270 -3.499 25436 822 1 2 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.596 -0.395 25436 823 1 2 . 1 1 42 42 LYS C C 42 176.535 176.535 176.256 0.279 25436 824 1 2 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.593 2.539 25436 825 1 2 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.661 0.295 25436 826 1 2 . 1 1 42 42 LYS H H 42 8.037 8.037 8.358 -0.321 25436 827 1 2 . 1 1 43 43 ILE N N 43 127.134 127.134 127.057 0.077 25436 828 1 2 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.337 -0.311 25436 829 1 2 . 1 1 43 43 ILE C C 43 176.992 176.992 176.091 0.901 25436 830 1 2 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.830 -0.434 25436 831 1 2 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.462 0.405 25436 832 1 2 . 1 1 43 43 ILE H H 43 8.720 8.720 8.591 0.129 25436 833 1 2 . 1 1 44 44 VAL N N 44 121.988 121.988 118.279 3.709 25436 834 1 2 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.570 -0.202 25436 835 1 2 . 1 1 44 44 VAL C C 44 176.854 176.854 175.582 1.272 25436 836 1 2 . 1 1 44 44 VAL CA C 44 61.885 61.885 61.030 0.855 25436 837 1 2 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.990 -0.518 25436 838 1 2 . 1 1 44 44 VAL H H 44 8.707 8.707 8.849 -0.142 25436 839 1 2 . 1 1 45 45 GLY N N 45 109.497 109.497 108.604 0.893 25436 840 1 2 . 1 1 45 45 GLY C C 45 171.265 171.265 171.580 -0.315 25436 841 1 2 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.730 -0.713 25436 842 1 2 . 1 1 45 45 GLY H H 45 7.541 7.541 7.593 -0.052 25436 843 1 2 . 1 1 46 46 CYS N N 46 124.565 124.565 121.644 2.921 25436 844 1 2 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.377 -0.366 25436 845 1 2 . 1 1 46 46 CYS C C 46 172.072 172.072 172.526 -0.454 25436 846 1 2 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.340 0.644 25436 847 1 2 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.079 -2.750 25436 848 1 2 . 1 1 46 46 CYS H H 46 8.983 8.983 8.802 0.181 25436 849 1 2 . 1 1 47 47 SER N N 47 122.911 122.911 119.533 3.378 25436 850 1 2 . 1 1 47 47 SER HA H 47 4.906 4.906 4.861 0.045 25436 851 1 2 . 1 1 47 47 SER C C 47 171.848 171.848 171.807 0.041 25436 852 1 2 . 1 1 47 47 SER CA C 47 56.487 56.487 57.634 -1.147 25436 853 1 2 . 1 1 47 47 SER CB C 47 65.679 65.679 66.240 -0.561 25436 854 1 2 . 1 1 47 47 SER H H 47 8.568 8.568 9.110 -0.542 25436 855 1 2 . 1 1 48 48 VAL N N 48 121.488 121.488 120.539 0.949 25436 856 1 2 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.157 -0.015 25436 857 1 2 . 1 1 48 48 VAL C C 48 173.990 173.990 173.792 0.198 25436 858 1 2 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.941 1.306 25436 859 1 2 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.044 -1.177 25436 860 1 2 . 1 1 48 48 VAL H H 48 8.588 8.588 8.143 0.445 25436 861 1 2 . 1 1 49 49 HIS N N 49 130.227 130.227 125.318 4.909 25436 862 1 2 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.727 -0.318 25436 863 1 2 . 1 1 49 49 HIS C C 49 173.949 173.949 173.772 0.177 25436 864 1 2 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.252 0.414 25436 865 1 2 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.734 -0.616 25436 866 1 2 . 1 1 49 49 HIS H H 49 8.380 8.380 8.604 -0.224 25436 867 1 2 . 1 1 50 50 LYS N N 50 121.171 121.171 119.766 1.405 25436 868 1 2 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.981 0.453 25436 869 1 2 . 1 1 50 50 LYS C C 50 175.527 175.527 177.410 -1.883 25436 870 1 2 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.277 -0.359 25436 871 1 2 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.180 -1.759 25436 872 1 2 . 1 1 50 50 LYS H H 50 7.717 7.717 8.158 -0.441 25436 873 1 2 . 1 1 51 51 GLY N N 51 113.993 113.993 111.852 2.141 25436 874 1 2 . 1 1 51 51 GLY C C 51 174.252 174.252 172.976 1.276 25436 875 1 2 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.422 -1.015 25436 876 1 2 . 1 1 51 51 GLY H H 51 9.404 9.404 8.829 0.575 25436 877 1 2 . 1 1 52 52 PHE N N 52 112.326 112.326 114.713 -2.387 25436 878 1 2 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.603 -0.311 25436 879 1 2 . 1 1 52 52 PHE C C 52 171.605 171.605 172.965 -1.360 25436 880 1 2 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.444 0.810 25436 881 1 2 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.414 -0.373 25436 882 1 2 . 1 1 52 52 PHE H H 52 7.006 7.006 7.083 -0.077 25436 883 1 2 . 1 1 53 53 ALA N N 53 119.722 119.722 119.255 0.467 25436 884 1 2 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.906 -0.098 25436 885 1 2 . 1 1 53 53 ALA C C 53 173.029 173.029 174.536 -1.507 25436 886 1 2 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.051 -0.755 25436 887 1 2 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.526 2.273 25436 888 1 2 . 1 1 53 53 ALA H H 53 8.677 8.677 8.585 0.092 25436 889 1 2 . 1 1 54 54 PHE N N 54 112.104 112.104 116.321 -4.217 25436 890 1 2 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.573 0.007 25436 891 1 2 . 1 1 54 54 PHE C C 54 175.794 175.794 174.276 1.518 25436 892 1 2 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.969 -0.255 25436 893 1 2 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.554 -0.268 25436 894 1 2 . 1 1 54 54 PHE H H 54 8.797 8.797 9.011 -0.214 25436 895 1 2 . 1 1 55 55 VAL N N 55 118.542 118.542 121.987 -3.445 25436 896 1 2 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.391 -0.178 25436 897 1 2 . 1 1 55 55 VAL C C 55 172.806 172.806 173.821 -1.015 25436 898 1 2 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.335 0.593 25436 899 1 2 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.046 -0.126 25436 900 1 2 . 1 1 55 55 VAL H H 55 8.295 8.295 8.688 -0.393 25436 901 1 2 . 1 1 56 56 GLN N N 56 128.473 128.473 127.242 1.231 25436 902 1 2 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.699 -0.129 25436 903 1 2 . 1 1 56 56 GLN C C 56 173.893 173.893 174.528 -0.635 25436 904 1 2 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.982 0.282 25436 905 1 2 . 1 1 56 56 GLN CB C 56 32.070 32.070 29.894 2.176 25436 906 1 2 . 1 1 56 56 GLN H H 56 9.263 9.263 8.896 0.367 25436 907 1 2 . 1 1 57 57 TYR N N 57 127.679 127.679 125.631 2.048 25436 908 1 2 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.124 0.163 25436 909 1 2 . 1 1 57 57 TYR C C 57 175.609 175.609 177.021 -1.412 25436 910 1 2 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.717 0.951 25436 911 1 2 . 1 1 57 57 TYR CB C 57 40.034 40.034 39.965 0.069 25436 912 1 2 . 1 1 57 57 TYR H H 57 8.928 8.928 8.921 0.007 25436 913 1 2 . 1 1 58 58 VAL N N 58 116.710 116.710 116.969 -0.259 25436 914 1 2 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.908 0.207 25436 915 1 2 . 1 1 58 58 VAL C C 58 175.859 175.859 174.892 0.967 25436 916 1 2 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.429 -0.371 25436 917 1 2 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.076 0.937 25436 918 1 2 . 1 1 58 58 VAL H H 58 9.479 9.479 8.650 0.829 25436 919 1 2 . 1 1 59 59 ASN N N 59 112.455 112.455 113.080 -0.625 25436 920 1 2 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.801 0.358 25436 921 1 2 . 1 1 59 59 ASN C C 59 174.482 174.482 175.279 -0.797 25436 922 1 2 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.881 0.061 25436 923 1 2 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.248 1.944 25436 924 1 2 . 1 1 59 59 ASN H H 59 7.218 7.218 7.524 -0.306 25436 925 1 2 . 1 1 60 60 GLU N N 60 124.337 124.337 121.291 3.046 25436 926 1 2 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.239 0.080 25436 927 1 2 . 1 1 60 60 GLU C C 60 178.201 178.201 178.166 0.035 25436 928 1 2 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.604 -0.864 25436 929 1 2 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.979 0.378 25436 930 1 2 . 1 1 60 60 GLU H H 60 8.808 8.808 8.963 -0.155 25436 931 1 2 . 1 1 61 61 ARG N N 61 118.265 118.265 119.804 -1.539 25436 932 1 2 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.016 -0.019 25436 933 1 2 . 1 1 61 61 ARG C C 61 179.340 179.340 178.604 0.736 25436 934 1 2 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.645 0.834 25436 935 1 2 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.286 0.068 25436 936 1 2 . 1 1 61 61 ARG H H 61 8.630 8.630 7.883 0.747 25436 937 1 2 . 1 1 62 62 ASN N N 62 118.081 118.081 117.883 0.198 25436 938 1 2 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.264 0.016 25436 939 1 2 . 1 1 62 62 ASN C C 62 174.851 174.851 176.783 -1.932 25436 940 1 2 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.228 0.224 25436 941 1 2 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.284 0.734 25436 942 1 2 . 1 1 62 62 ASN H H 62 7.785 7.785 8.927 -1.142 25436 943 1 2 . 1 1 63 63 ALA N N 63 119.543 119.543 123.150 -3.607 25436 944 1 2 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.427 -0.671 25436 945 1 2 . 1 1 63 63 ALA C C 63 178.861 178.861 179.498 -0.637 25436 946 1 2 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.098 -0.137 25436 947 1 2 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.749 -0.209 25436 948 1 2 . 1 1 63 63 ALA H H 63 6.779 6.779 7.386 -0.607 25436 949 1 2 . 1 1 64 64 ARG N N 64 114.965 114.965 117.315 -2.350 25436 950 1 2 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.070 -0.228 25436 951 1 2 . 1 1 64 64 ARG C C 64 179.775 179.775 178.521 1.254 25436 952 1 2 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.363 2.827 25436 953 1 2 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.377 -0.064 25436 954 1 2 . 1 1 64 64 ARG H H 64 8.755 8.755 8.308 0.447 25436 955 1 2 . 1 1 65 65 ALA N N 65 123.704 123.704 121.759 1.945 25436 956 1 2 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.055 0.075 25436 957 1 2 . 1 1 65 65 ALA C C 65 179.560 179.560 178.357 1.203 25436 958 1 2 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.758 0.221 25436 959 1 2 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.221 -0.329 25436 960 1 2 . 1 1 65 65 ALA H H 65 7.823 7.823 7.512 0.311 25436 961 1 2 . 1 1 66 66 ALA N N 66 123.797 123.797 118.992 4.805 25436 962 1 2 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.692 -1.616 25436 963 1 2 . 1 1 66 66 ALA C C 66 179.259 179.259 179.324 -0.065 25436 964 1 2 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.073 0.215 25436 965 1 2 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.284 -0.009 25436 966 1 2 . 1 1 66 66 ALA H H 66 7.545 7.545 7.474 0.071 25436 967 1 2 . 1 1 67 67 VAL N N 67 116.549 116.549 117.969 -1.420 25436 968 1 2 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.816 -0.462 25436 969 1 2 . 1 1 67 67 VAL C C 67 177.744 177.744 176.517 1.227 25436 970 1 2 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.115 0.418 25436 971 1 2 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.680 0.289 25436 972 1 2 . 1 1 67 67 VAL H H 67 7.619 7.619 8.407 -0.788 25436 973 1 2 . 1 1 68 68 ALA N N 68 118.193 118.193 119.645 -1.452 25436 974 1 2 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.414 -0.287 25436 975 1 2 . 1 1 68 68 ALA C C 68 180.748 180.748 177.880 2.868 25436 976 1 2 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.794 1.567 25436 977 1 2 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.310 -1.182 25436 978 1 2 . 1 1 68 68 ALA H H 68 7.550 7.550 7.413 0.137 25436 979 1 2 . 1 1 69 69 GLY N N 69 103.773 103.773 106.315 -2.542 25436 980 1 2 . 1 1 69 69 GLY C C 69 175.626 175.626 175.384 0.242 25436 981 1 2 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.387 0.739 25436 982 1 2 . 1 1 69 69 GLY H H 69 8.140 8.140 7.313 0.827 25436 983 1 2 . 1 1 70 70 GLU N N 70 114.547 114.547 117.612 -3.065 25436 984 1 2 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.455 0.181 25436 985 1 2 . 1 1 70 70 GLU C C 70 176.391 176.391 175.167 1.224 25436 986 1 2 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.812 -0.653 25436 987 1 2 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.613 -0.348 25436 988 1 2 . 1 1 70 70 GLU H H 70 7.654 7.654 7.800 -0.146 25436 989 1 2 . 1 1 71 71 ASP N N 71 118.202 118.202 120.455 -2.253 25436 990 1 2 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.325 -0.038 25436 991 1 2 . 1 1 71 71 ASP C C 71 178.698 178.698 177.783 0.915 25436 992 1 2 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.112 1.419 25436 993 1 2 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.984 0.387 25436 994 1 2 . 1 1 71 71 ASP H H 71 8.020 8.020 7.544 0.476 25436 995 1 2 . 1 1 72 72 GLY N N 72 114.301 114.301 114.603 -0.302 25436 996 1 2 . 1 1 72 72 GLY C C 72 173.791 173.791 173.647 0.144 25436 997 1 2 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.190 0.569 25436 998 1 2 . 1 1 72 72 GLY H H 72 8.305 8.305 8.452 -0.147 25436 999 1 2 . 1 1 73 73 ARG N N 73 121.994 121.994 118.495 3.499 25436 1000 1 2 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.545 -0.350 25436 1001 1 2 . 1 1 73 73 ARG C C 73 175.187 175.187 174.902 0.285 25436 1002 1 2 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.799 1.703 25436 1003 1 2 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.817 -0.565 25436 1004 1 2 . 1 1 73 73 ARG H H 73 7.980 7.980 7.752 0.228 25436 1005 1 2 . 1 1 74 74 MET N N 74 125.081 125.081 122.007 3.074 25436 1006 1 2 . 1 1 74 74 MET HA H 74 4.823 4.823 5.122 -0.299 25436 1007 1 2 . 1 1 74 74 MET C C 74 175.726 175.726 175.128 0.598 25436 1008 1 2 . 1 1 74 74 MET CA C 74 55.029 55.029 55.194 -0.165 25436 1009 1 2 . 1 1 74 74 MET CB C 74 33.092 33.092 34.567 -1.475 25436 1010 1 2 . 1 1 74 74 MET H H 74 8.712 8.712 8.417 0.295 25436 1011 1 2 . 1 1 75 75 ILE N N 75 127.490 127.490 125.488 2.002 25436 1012 1 2 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.492 -0.110 25436 1013 1 2 . 1 1 75 75 ILE C C 75 175.276 175.276 175.503 -0.227 25436 1014 1 2 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.827 -1.022 25436 1015 1 2 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.205 -0.809 25436 1016 1 2 . 1 1 75 75 ILE H H 75 8.589 8.589 8.963 -0.374 25436 1017 1 2 . 1 1 76 76 ALA N N 76 132.147 132.147 127.485 4.662 25436 1018 1 2 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.035 0.003 25436 1019 1 2 . 1 1 76 76 ALA C C 76 177.205 177.205 177.765 -0.560 25436 1020 1 2 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.115 -1.181 25436 1021 1 2 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.010 0.138 25436 1022 1 2 . 1 1 76 76 ALA H H 76 9.547 9.547 8.965 0.582 25436 1023 1 2 . 1 1 77 77 GLY N N 77 101.695 101.695 101.896 -0.201 25436 1024 1 2 . 1 1 77 77 GLY C C 77 174.205 174.205 174.172 0.033 25436 1025 1 2 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.951 0.812 25436 1026 1 2 . 1 1 77 77 GLY H H 77 8.445 8.445 8.321 0.124 25436 1027 1 2 . 1 1 78 78 GLN N N 78 119.020 119.020 118.741 0.279 25436 1028 1 2 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.727 0.002 25436 1029 1 2 . 1 1 78 78 GLN C C 78 174.046 174.046 174.271 -0.225 25436 1030 1 2 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.181 0.014 25436 1031 1 2 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.801 -0.912 25436 1032 1 2 . 1 1 78 78 GLN H H 78 7.720 7.720 7.894 -0.174 25436 1033 1 2 . 1 1 79 79 VAL N N 79 123.374 123.374 121.703 1.671 25436 1034 1 2 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.957 -0.945 25436 1035 1 2 . 1 1 79 79 VAL C C 79 176.347 176.347 175.649 0.698 25436 1036 1 2 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.300 1.355 25436 1037 1 2 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.046 -0.962 25436 1038 1 2 . 1 1 79 79 VAL H H 79 8.532 8.532 8.405 0.127 25436 1039 1 2 . 1 1 80 80 LEU N N 80 128.569 128.569 122.574 5.995 25436 1040 1 2 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.937 -0.650 25436 1041 1 2 . 1 1 80 80 LEU C C 80 176.521 176.521 175.268 1.253 25436 1042 1 2 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.142 3.921 25436 1043 1 2 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.202 -0.381 25436 1044 1 2 . 1 1 80 80 LEU H H 80 9.014 9.014 8.204 0.810 25436 1045 1 2 . 1 1 81 81 ASP N N 81 124.359 124.359 122.606 1.753 25436 1046 1 2 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.165 0.060 25436 1047 1 2 . 1 1 81 81 ASP C C 81 174.659 174.659 175.398 -0.739 25436 1048 1 2 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.902 0.053 25436 1049 1 2 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.645 1.026 25436 1050 1 2 . 1 1 81 81 ASP H H 81 7.850 7.850 8.411 -0.561 25436 1051 1 2 . 1 1 82 82 ILE N N 82 123.155 123.155 126.693 -3.538 25436 1052 1 2 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.938 0.464 25436 1053 1 2 . 1 1 82 82 ILE C C 82 174.520 174.520 175.249 -0.729 25436 1054 1 2 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.175 -0.943 25436 1055 1 2 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.753 1.210 25436 1056 1 2 . 1 1 82 82 ILE H H 82 9.086 9.086 8.635 0.451 25436 1057 1 2 . 1 1 83 83 ASN N N 83 116.417 116.417 122.393 -5.976 25436 1058 1 2 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.960 -0.113 25436 1059 1 2 . 1 1 83 83 ASN C C 83 174.565 174.565 173.684 0.881 25436 1060 1 2 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.060 0.988 25436 1061 1 2 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.313 0.797 25436 1062 1 2 . 1 1 83 83 ASN H H 83 8.495 8.495 8.566 -0.071 25436 1063 1 2 . 1 1 84 84 LEU N N 84 123.786 123.786 122.666 1.120 25436 1064 1 2 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.379 0.343 25436 1065 1 2 . 1 1 84 84 LEU C C 84 180.968 180.968 178.460 2.508 25436 1066 1 2 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.139 0.161 25436 1067 1 2 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.635 -1.319 25436 1068 1 2 . 1 1 84 84 LEU H H 84 9.427 9.427 8.857 0.570 25436 1069 1 2 . 1 1 85 85 ALA N N 85 127.571 127.571 126.821 0.750 25436 1070 1 2 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.355 -0.307 25436 1071 1 2 . 1 1 85 85 ALA C C 85 177.931 177.931 176.618 1.313 25436 1072 1 2 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.188 2.108 25436 1073 1 2 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.108 -1.155 25436 1074 1 2 . 1 1 85 85 ALA H H 85 9.295 9.295 8.259 1.036 25436 1075 1 2 . 1 1 86 86 ALA N N 86 115.985 115.985 117.756 -1.771 25436 1076 1 2 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.418 -0.007 25436 1077 1 2 . 1 1 86 86 ALA C C 86 176.152 176.152 176.609 -0.457 25436 1078 1 2 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.999 -0.227 25436 1079 1 2 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.210 0.115 25436 1080 1 2 . 1 1 86 86 ALA H H 86 8.657 8.657 8.171 0.486 25436 1081 1 2 . 1 1 87 87 GLU N N 87 118.975 118.975 119.606 -0.631 25436 1082 1 2 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.629 0.106 25436 1083 1 2 . 1 1 87 87 GLU C C 87 171.676 171.676 173.990 -2.314 25436 1084 1 2 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.330 -0.182 25436 1085 1 2 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.037 -0.121 25436 1086 1 2 . 1 1 87 87 GLU H H 87 7.913 7.913 7.689 0.224 25436 1087 1 2 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.491 -0.144 25436 1088 1 2 . 1 1 88 88 PRO C C 88 177.303 177.303 176.722 0.581 25436 1089 1 2 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.343 -0.465 25436 1090 1 2 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.357 -0.455 25436 1091 1 2 . 1 1 89 89 LYS N N 89 121.335 121.335 121.711 -0.376 25436 1092 1 2 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.450 -0.210 25436 1093 1 2 . 1 1 89 89 LYS C C 89 177.689 177.689 175.819 1.870 25436 1094 1 2 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.691 0.060 25436 1095 1 2 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.061 0.375 25436 1096 1 2 . 1 1 89 89 LYS H H 89 8.020 8.020 8.653 -0.633 25436 1097 1 2 . 1 1 90 90 VAL N N 90 120.786 120.786 121.403 -0.617 25436 1098 1 2 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.291 -0.369 25436 1099 1 2 . 1 1 90 90 VAL C C 90 176.169 176.169 176.355 -0.186 25436 1100 1 2 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.167 2.131 25436 1101 1 2 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.204 -0.937 25436 1102 1 2 . 1 1 90 90 VAL H H 90 8.232 8.232 7.676 0.556 25436 1103 1 2 . 1 1 91 91 ASN N N 91 119.214 119.214 120.407 -1.193 25436 1104 1 2 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.715 -0.056 25436 1105 1 2 . 1 1 91 91 ASN C C 91 175.172 175.172 175.453 -0.281 25436 1106 1 2 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.477 -0.449 25436 1107 1 2 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.510 -0.341 25436 1108 1 2 . 1 1 91 91 ASN H H 91 8.453 8.453 8.534 -0.081 25436 1109 1 2 . 1 1 92 92 ARG N N 92 120.709 120.709 115.607 5.102 25436 1110 1 2 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.114 0.140 25436 1111 1 2 . 1 1 92 92 ARG C C 92 176.991 176.991 176.233 0.758 25436 1112 1 2 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.613 -0.113 25436 1113 1 2 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.133 2.474 25436 1114 1 2 . 1 1 92 92 ARG H H 92 7.925 7.925 8.282 -0.357 25436 1115 1 2 . 1 1 93 93 GLY N N 93 110.299 110.299 106.627 3.672 25436 1116 1 2 . 1 1 93 93 GLY C C 93 174.245 174.245 174.580 -0.335 25436 1117 1 2 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.849 0.567 25436 1118 1 2 . 1 1 93 93 GLY H H 93 8.593 8.593 8.200 0.393 25436 1119 1 2 . 1 1 94 94 LYS N N 94 120.781 120.781 115.720 5.061 25436 1120 1 2 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.975 0.319 25436 1121 1 2 . 1 1 94 94 LYS C C 94 176.524 176.524 175.312 1.212 25436 1122 1 2 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.795 -1.688 25436 1123 1 2 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.887 1.253 25436 1124 1 2 . 1 1 94 94 LYS H H 94 8.126 8.126 8.182 -0.056 25436 1125 1 2 . 1 1 95 95 ALA N N 95 125.012 125.012 118.094 6.918 25436 1126 1 2 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.669 -0.370 25436 1127 1 2 . 1 1 95 95 ALA C C 95 178.324 178.324 177.590 0.734 25436 1128 1 2 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.106 0.695 25436 1129 1 2 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.557 -1.379 25436 1130 1 2 . 1 1 95 95 ALA H H 95 8.435 8.435 7.643 0.792 25436 1131 1 2 . 1 1 96 96 GLY N N 96 108.312 108.312 107.483 0.829 25436 1132 1 2 . 1 1 96 96 GLY C C 96 174.095 174.095 174.894 -0.799 25436 1133 1 2 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.088 -0.806 25436 1134 1 2 . 1 1 96 96 GLY H H 96 8.414 8.414 8.205 0.209 25436 1135 1 2 . 1 1 97 97 VAL N N 97 119.818 119.818 118.878 0.940 25436 1136 1 2 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.981 0.091 25436 1137 1 2 . 1 1 97 97 VAL C C 97 176.155 176.155 176.632 -0.477 25436 1138 1 2 . 1 1 97 97 VAL CA C 97 62.344 62.344 64.140 -1.796 25436 1139 1 2 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.784 0.973 25436 1140 1 2 . 1 1 97 97 VAL H H 97 7.919 7.919 8.176 -0.257 25436 1141 1 2 . 1 1 98 98 LYS N N 98 125.912 125.912 119.920 5.992 25436 1142 1 2 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.305 0.028 25436 1143 1 2 . 1 1 98 98 LYS C C 98 176.426 176.426 176.948 -0.522 25436 1144 1 2 . 1 1 98 98 LYS CA C 98 56.169 56.169 56.216 -0.047 25436 1145 1 2 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.601 0.447 25436 1146 1 2 . 1 1 98 98 LYS H H 98 8.466 8.466 7.824 0.642 25436 1147 1 2 . 1 1 99 99 ARG N N 99 123.544 123.544 120.860 2.684 25436 1148 1 2 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.642 -0.273 25436 1149 1 2 . 1 1 99 99 ARG C C 99 176.230 176.230 176.071 0.159 25436 1150 1 2 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.286 0.708 25436 1151 1 2 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.396 -0.232 25436 1152 1 2 . 1 1 99 99 ARG H H 99 8.468 8.468 8.462 0.006 25436 1153 1 2 . 1 1 100 100 SER N N 100 117.781 117.781 115.731 2.050 25436 1154 1 2 . 1 1 100 100 SER HA H 100 4.452 4.452 4.501 -0.049 25436 1155 1 2 . 1 1 100 100 SER C C 100 174.555 174.555 175.681 -1.126 25436 1156 1 2 . 1 1 100 100 SER CA C 100 58.036 58.036 57.111 0.925 25436 1157 1 2 . 1 1 100 100 SER CB C 100 64.139 64.139 64.106 0.033 25436 1158 1 2 . 1 1 100 100 SER H H 100 8.507 8.507 8.302 0.205 25436 1159 1 2 . 1 1 101 101 ALA N N 101 126.090 126.090 128.416 -2.326 25436 1160 1 2 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.272 -0.002 25436 1161 1 2 . 1 1 101 101 ALA C C 101 178.046 178.046 177.320 0.726 25436 1162 1 2 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.903 -0.632 25436 1163 1 2 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.607 0.425 25436 1164 1 2 . 1 1 101 101 ALA H H 101 8.529 8.529 8.849 -0.320 25436 1165 1 2 . 1 1 102 102 ALA N N 102 121.750 121.750 119.906 1.844 25436 1166 1 2 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.346 -0.119 25436 1167 1 2 . 1 1 102 102 ALA C C 102 178.253 178.253 177.835 0.418 25436 1168 1 2 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.910 0.085 25436 1169 1 2 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.885 -0.807 25436 1170 1 2 . 1 1 102 102 ALA H H 102 8.219 8.219 7.678 0.541 25436 1171 1 2 . 1 1 103 103 GLU N N 103 118.819 118.819 117.295 1.524 25436 1172 1 2 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.434 -0.232 25436 1173 1 2 . 1 1 103 103 GLU C C 103 176.515 176.515 176.070 0.445 25436 1174 1 2 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.379 1.290 25436 1175 1 2 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.593 -0.431 25436 1176 1 2 . 1 1 103 103 GLU H H 103 8.100 8.100 7.766 0.334 25436 1177 1 2 . 1 1 104 104 MET N N 104 120.178 120.178 119.148 1.030 25436 1178 1 2 . 1 1 104 104 MET HA H 104 4.332 4.332 4.170 0.162 25436 1179 1 2 . 1 1 104 104 MET C C 104 175.861 175.861 176.773 -0.912 25436 1180 1 2 . 1 1 104 104 MET CA C 104 55.869 55.869 54.335 1.534 25436 1181 1 2 . 1 1 104 104 MET CB C 104 32.993 32.993 33.622 -0.629 25436 1182 1 2 . 1 1 104 104 MET H H 104 8.086 8.086 7.536 0.550 25436 1183 1 2 . 1 1 105 105 TYR N N 105 120.369 120.369 121.901 -1.532 25436 1184 1 2 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.566 0.086 25436 1185 1 2 . 1 1 105 105 TYR C C 105 175.318 175.318 176.966 -1.648 25436 1186 1 2 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.984 -0.399 25436 1187 1 2 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.081 0.810 25436 1188 1 2 . 1 1 105 105 TYR H H 105 8.137 8.137 8.700 -0.563 25436 1189 1 3 . 1 1 3 3 SER HA H 3 4.564 4.564 4.428 0.136 25436 1190 1 3 . 1 1 3 3 SER C C 3 173.407 173.407 175.048 -1.641 25436 1191 1 3 . 1 1 3 3 SER CA C 3 58.309 58.309 56.910 1.399 25436 1192 1 3 . 1 1 3 3 SER CB C 3 63.980 63.980 63.714 0.266 25436 1193 1 3 . 1 1 4 4 ASN N N 4 120.204 120.204 118.387 1.817 25436 1194 1 3 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.141 0.076 25436 1195 1 3 . 1 1 4 4 ASN C C 4 176.242 176.242 174.472 1.770 25436 1196 1 3 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.930 0.105 25436 1197 1 3 . 1 1 4 4 ASN CB C 4 38.715 38.715 39.113 -0.398 25436 1198 1 3 . 1 1 4 4 ASN H H 4 8.783 8.783 8.600 0.183 25436 1199 1 3 . 1 1 5 5 VAL N N 5 122.598 122.598 120.285 2.313 25436 1200 1 3 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.243 -0.473 25436 1201 1 3 . 1 1 5 5 VAL C C 5 177.222 177.222 175.421 1.801 25436 1202 1 3 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.901 3.905 25436 1203 1 3 . 1 1 5 5 VAL CB C 5 30.855 30.855 32.845 -1.990 25436 1204 1 3 . 1 1 5 5 VAL H H 5 8.326 8.326 7.598 0.728 25436 1205 1 3 . 1 1 6 6 THR N N 6 118.450 118.450 116.334 2.116 25436 1206 1 3 . 1 1 6 6 THR HA H 6 4.682 4.682 4.543 0.139 25436 1207 1 3 . 1 1 6 6 THR C C 6 174.349 174.349 173.151 1.198 25436 1208 1 3 . 1 1 6 6 THR CA C 6 60.542 60.542 61.283 -0.741 25436 1209 1 3 . 1 1 6 6 THR CB C 6 69.771 69.771 69.409 0.362 25436 1210 1 3 . 1 1 6 6 THR H H 6 9.391 9.391 8.491 0.900 25436 1211 1 3 . 1 1 7 7 ASN N N 7 120.847 120.847 117.712 3.135 25436 1212 1 3 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.504 0.051 25436 1213 1 3 . 1 1 7 7 ASN C C 7 176.863 176.863 175.914 0.949 25436 1214 1 3 . 1 1 7 7 ASN CA C 7 51.909 51.909 51.883 0.026 25436 1215 1 3 . 1 1 7 7 ASN CB C 7 38.059 38.059 38.106 -0.047 25436 1216 1 3 . 1 1 7 7 ASN H H 7 7.970 7.970 7.834 0.136 25436 1217 1 3 . 1 1 8 8 LYS N N 8 121.736 121.736 121.853 -0.117 25436 1218 1 3 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.230 0.024 25436 1219 1 3 . 1 1 8 8 LYS C C 8 180.141 180.141 177.264 2.877 25436 1220 1 3 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.670 1.551 25436 1221 1 3 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.872 -0.582 25436 1222 1 3 . 1 1 8 8 LYS H H 8 8.577 8.577 8.252 0.325 25436 1223 1 3 . 1 1 9 9 THR N N 9 110.800 110.800 109.286 1.514 25436 1224 1 3 . 1 1 9 9 THR HA H 9 4.467 4.467 4.418 0.049 25436 1225 1 3 . 1 1 9 9 THR C C 9 174.484 174.484 173.948 0.536 25436 1226 1 3 . 1 1 9 9 THR CA C 9 61.242 61.242 61.019 0.223 25436 1227 1 3 . 1 1 9 9 THR CB C 9 69.009 69.009 69.614 -0.605 25436 1228 1 3 . 1 1 9 9 THR H H 9 8.695 8.695 8.491 0.204 25436 1229 1 3 . 1 1 10 10 ASP N N 10 120.937 120.937 124.301 -3.364 25436 1230 1 3 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.855 -0.032 25436 1231 1 3 . 1 1 10 10 ASP C C 10 173.945 173.945 176.235 -2.290 25436 1232 1 3 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.316 -0.830 25436 1233 1 3 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.824 -2.274 25436 1234 1 3 . 1 1 10 10 ASP H H 10 7.908 7.908 7.835 0.073 25436 1235 1 3 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.371 -0.221 25436 1236 1 3 . 1 1 11 11 PRO C C 11 178.420 178.420 176.099 2.321 25436 1237 1 3 . 1 1 11 11 PRO CA C 11 66.213 66.213 65.043 1.170 25436 1238 1 3 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.911 0.244 25436 1239 1 3 . 1 1 12 12 ARG N N 12 116.349 116.349 113.586 2.763 25436 1240 1 3 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.681 -0.586 25436 1241 1 3 . 1 1 12 12 ARG C C 12 180.445 180.445 176.034 4.411 25436 1242 1 3 . 1 1 12 12 ARG CA C 12 59.571 59.571 55.770 3.801 25436 1243 1 3 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.449 -0.214 25436 1244 1 3 . 1 1 12 12 ARG H H 12 7.944 7.944 7.838 0.106 25436 1245 1 3 . 1 1 13 13 SER N N 13 119.401 119.401 114.669 4.732 25436 1246 1 3 . 1 1 13 13 SER HA H 13 4.053 4.053 4.758 -0.705 25436 1247 1 3 . 1 1 13 13 SER C C 13 175.325 175.325 175.793 -0.468 25436 1248 1 3 . 1 1 13 13 SER CA C 13 61.500 61.500 59.444 2.056 25436 1249 1 3 . 1 1 13 13 SER CB C 13 61.798 61.798 64.350 -2.552 25436 1250 1 3 . 1 1 13 13 SER H H 13 8.152 8.152 7.586 0.566 25436 1251 1 3 . 1 1 14 14 MET N N 14 120.254 120.254 118.320 1.934 25436 1252 1 3 . 1 1 14 14 MET HA H 14 4.090 4.090 4.381 -0.291 25436 1253 1 3 . 1 1 14 14 MET C C 14 178.575 178.575 175.404 3.171 25436 1254 1 3 . 1 1 14 14 MET CA C 14 58.317 58.317 56.416 1.901 25436 1255 1 3 . 1 1 14 14 MET CB C 14 31.466 31.466 32.796 -1.330 25436 1256 1 3 . 1 1 14 14 MET H H 14 8.241 8.241 7.856 0.385 25436 1257 1 3 . 1 1 15 15 ASN N N 15 115.299 115.299 109.874 5.425 25436 1258 1 3 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.827 -0.201 25436 1259 1 3 . 1 1 15 15 ASN C C 15 172.554 172.554 176.064 -3.510 25436 1260 1 3 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.059 1.001 25436 1261 1 3 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.220 -0.424 25436 1262 1 3 . 1 1 15 15 ASN H H 15 7.962 7.962 8.157 -0.195 25436 1263 1 3 . 1 1 16 16 SER N N 16 106.079 106.079 113.472 -7.393 25436 1264 1 3 . 1 1 16 16 SER HA H 16 4.500 4.500 4.740 -0.240 25436 1265 1 3 . 1 1 16 16 SER C C 16 172.120 172.120 173.844 -1.724 25436 1266 1 3 . 1 1 16 16 SER CA C 16 56.814 56.814 58.180 -1.366 25436 1267 1 3 . 1 1 16 16 SER CB C 16 63.439 63.439 63.782 -0.343 25436 1268 1 3 . 1 1 16 16 SER H H 16 7.249 7.249 7.811 -0.562 25436 1269 1 3 . 1 1 17 17 ARG N N 17 123.335 123.335 122.076 1.259 25436 1270 1 3 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.215 0.370 25436 1271 1 3 . 1 1 17 17 ARG C C 17 174.490 174.490 174.541 -0.051 25436 1272 1 3 . 1 1 17 17 ARG CA C 17 54.364 54.364 55.004 -0.640 25436 1273 1 3 . 1 1 17 17 ARG CB C 17 32.858 32.858 34.043 -1.185 25436 1274 1 3 . 1 1 17 17 ARG H H 17 7.400 7.400 7.644 -0.244 25436 1275 1 3 . 1 1 18 18 VAL N N 18 122.241 122.241 121.714 0.527 25436 1276 1 3 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.668 0.049 25436 1277 1 3 . 1 1 18 18 VAL C C 18 174.862 174.862 174.255 0.607 25436 1278 1 3 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.071 -0.348 25436 1279 1 3 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.407 -0.127 25436 1280 1 3 . 1 1 18 18 VAL H H 18 9.264 9.264 8.880 0.384 25436 1281 1 3 . 1 1 19 19 PHE N N 19 125.933 125.933 129.173 -3.240 25436 1282 1 3 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.272 0.194 25436 1283 1 3 . 1 1 19 19 PHE C C 19 171.966 171.966 173.296 -1.330 25436 1284 1 3 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.117 2.006 25436 1285 1 3 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.720 -0.775 25436 1286 1 3 . 1 1 19 19 PHE H H 19 9.162 9.162 9.249 -0.087 25436 1287 1 3 . 1 1 20 20 ILE N N 20 126.425 126.425 127.497 -1.072 25436 1288 1 3 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.108 -0.239 25436 1289 1 3 . 1 1 20 20 ILE C C 20 173.048 173.048 174.279 -1.231 25436 1290 1 3 . 1 1 20 20 ILE CA C 20 59.330 59.330 59.980 -0.650 25436 1291 1 3 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.459 0.576 25436 1292 1 3 . 1 1 20 20 ILE H H 20 7.723 7.723 8.127 -0.404 25436 1293 1 3 . 1 1 21 21 GLY N N 21 113.255 113.255 111.100 2.155 25436 1294 1 3 . 1 1 21 21 GLY C C 21 173.768 173.768 174.360 -0.592 25436 1295 1 3 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.036 0.894 25436 1296 1 3 . 1 1 21 21 GLY H H 21 8.498 8.498 8.243 0.255 25436 1297 1 3 . 1 1 22 22 ASN N N 22 116.172 116.172 115.482 0.690 25436 1298 1 3 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.274 0.155 25436 1299 1 3 . 1 1 22 22 ASN C C 22 174.204 174.204 174.654 -0.450 25436 1300 1 3 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.228 -0.710 25436 1301 1 3 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.444 0.331 25436 1302 1 3 . 1 1 22 22 ASN H H 22 7.227 7.227 8.443 -1.216 25436 1303 1 3 . 1 1 23 23 LEU N N 23 119.429 119.429 119.031 0.398 25436 1304 1 3 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.321 -0.378 25436 1305 1 3 . 1 1 23 23 LEU C C 23 176.550 176.550 177.011 -0.461 25436 1306 1 3 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.656 -2.079 25436 1307 1 3 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.401 0.967 25436 1308 1 3 . 1 1 23 23 LEU H H 23 7.110 7.110 7.315 -0.205 25436 1309 1 3 . 1 1 24 24 ASN N N 24 122.292 122.292 122.014 0.278 25436 1310 1 3 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.544 0.528 25436 1311 1 3 . 1 1 24 24 ASN C C 24 175.830 175.830 175.786 0.044 25436 1312 1 3 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.256 -3.755 25436 1313 1 3 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.697 -3.107 25436 1314 1 3 . 1 1 24 24 ASN H H 24 8.975 8.975 8.915 0.060 25436 1315 1 3 . 1 1 25 25 THR N N 25 118.371 118.371 107.348 11.023 25436 1316 1 3 . 1 1 25 25 THR HA H 25 4.411 4.411 4.021 0.390 25436 1317 1 3 . 1 1 25 25 THR C C 25 175.285 175.285 174.609 0.676 25436 1318 1 3 . 1 1 25 25 THR CA C 25 63.453 63.453 63.792 -0.339 25436 1319 1 3 . 1 1 25 25 THR CB C 25 67.150 67.150 67.477 -0.327 25436 1320 1 3 . 1 1 25 25 THR H H 25 8.466 8.466 8.159 0.307 25436 1321 1 3 . 1 1 26 26 LEU N N 26 121.017 121.017 118.564 2.453 25436 1322 1 3 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.487 -0.280 25436 1323 1 3 . 1 1 26 26 LEU C C 26 178.243 178.243 177.184 1.059 25436 1324 1 3 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.362 0.377 25436 1325 1 3 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.805 -1.673 25436 1326 1 3 . 1 1 26 26 LEU H H 26 7.583 7.583 7.969 -0.386 25436 1327 1 3 . 1 1 27 27 VAL N N 27 115.968 115.968 115.484 0.484 25436 1328 1 3 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.199 -0.174 25436 1329 1 3 . 1 1 27 27 VAL C C 27 175.199 175.199 176.148 -0.949 25436 1330 1 3 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.898 0.311 25436 1331 1 3 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.560 1.622 25436 1332 1 3 . 1 1 27 27 VAL H H 27 6.846 6.846 8.592 -1.746 25436 1333 1 3 . 1 1 28 28 VAL N N 28 121.753 121.753 120.444 1.309 25436 1334 1 3 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.964 -0.097 25436 1335 1 3 . 1 1 28 28 VAL C C 28 174.351 174.351 174.532 -0.181 25436 1336 1 3 . 1 1 28 28 VAL CA C 28 63.180 63.180 61.914 1.266 25436 1337 1 3 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.173 -1.128 25436 1338 1 3 . 1 1 28 28 VAL H H 28 8.389 8.389 7.620 0.769 25436 1339 1 3 . 1 1 29 29 LYS N N 29 124.108 124.108 121.760 2.348 25436 1340 1 3 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.528 0.100 25436 1341 1 3 . 1 1 29 29 LYS C C 29 177.958 177.958 176.620 1.338 25436 1342 1 3 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.951 -0.291 25436 1343 1 3 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.354 0.102 25436 1344 1 3 . 1 1 29 29 LYS H H 29 8.929 8.929 8.034 0.895 25436 1345 1 3 . 1 1 30 30 LYS N N 30 123.352 123.352 122.389 0.963 25436 1346 1 3 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.873 -0.210 25436 1347 1 3 . 1 1 30 30 LYS C C 30 177.638 177.638 178.222 -0.584 25436 1348 1 3 . 1 1 30 30 LYS CA C 30 61.400 61.400 60.093 1.307 25436 1349 1 3 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.234 0.422 25436 1350 1 3 . 1 1 30 30 LYS H H 30 8.994 8.994 8.751 0.243 25436 1351 1 3 . 1 1 31 31 SER N N 31 111.491 111.491 109.826 1.665 25436 1352 1 3 . 1 1 31 31 SER HA H 31 4.175 4.175 4.601 -0.426 25436 1353 1 3 . 1 1 31 31 SER C C 31 177.616 177.616 175.080 2.536 25436 1354 1 3 . 1 1 31 31 SER CA C 31 61.402 61.402 59.482 1.920 25436 1355 1 3 . 1 1 31 31 SER CB C 31 61.541 61.541 62.644 -1.103 25436 1356 1 3 . 1 1 31 31 SER H H 31 8.686 8.686 8.312 0.374 25436 1357 1 3 . 1 1 32 32 ASP N N 32 122.114 122.114 122.303 -0.189 25436 1358 1 3 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.747 -0.223 25436 1359 1 3 . 1 1 32 32 ASP C C 32 178.193 178.193 178.271 -0.078 25436 1360 1 3 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.535 0.660 25436 1361 1 3 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.599 0.214 25436 1362 1 3 . 1 1 32 32 ASP H H 32 7.147 7.147 7.773 -0.626 25436 1363 1 3 . 1 1 33 33 VAL N N 33 120.064 120.064 120.869 -0.805 25436 1364 1 3 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.860 -0.392 25436 1365 1 3 . 1 1 33 33 VAL C C 33 178.623 178.623 177.008 1.615 25436 1366 1 3 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.237 1.100 25436 1367 1 3 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.958 -0.662 25436 1368 1 3 . 1 1 33 33 VAL H H 33 7.939 7.939 7.883 0.056 25436 1369 1 3 . 1 1 34 34 GLU N N 34 118.713 118.713 116.197 2.516 25436 1370 1 3 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.195 -0.436 25436 1371 1 3 . 1 1 34 34 GLU C C 34 178.700 178.700 176.046 2.654 25436 1372 1 3 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.213 3.290 25436 1373 1 3 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.218 0.112 25436 1374 1 3 . 1 1 34 34 GLU H H 34 8.641 8.641 8.196 0.445 25436 1375 1 3 . 1 1 35 35 ALA N N 35 121.519 121.519 120.151 1.368 25436 1376 1 3 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.599 -0.449 25436 1377 1 3 . 1 1 35 35 ALA C C 35 180.482 180.482 177.903 2.579 25436 1378 1 3 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.887 2.655 25436 1379 1 3 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.381 -2.324 25436 1380 1 3 . 1 1 35 35 ALA H H 35 7.818 7.818 7.661 0.157 25436 1381 1 3 . 1 1 36 36 ILE N N 36 117.410 117.410 117.589 -0.179 25436 1382 1 3 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.160 -0.492 25436 1383 1 3 . 1 1 36 36 ILE C C 36 178.664 178.664 176.379 2.285 25436 1384 1 3 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.948 1.842 25436 1385 1 3 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.238 0.547 25436 1386 1 3 . 1 1 36 36 ILE H H 36 7.778 7.778 7.688 0.090 25436 1387 1 3 . 1 1 37 37 PHE N N 37 113.502 113.502 116.826 -3.324 25436 1388 1 3 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.895 -0.532 25436 1389 1 3 . 1 1 37 37 PHE C C 37 179.622 179.622 177.546 2.076 25436 1390 1 3 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.691 4.012 25436 1391 1 3 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.668 -3.484 25436 1392 1 3 . 1 1 37 37 PHE H H 37 8.587 8.587 7.830 0.757 25436 1393 1 3 . 1 1 38 38 SER N N 38 122.010 122.010 115.403 6.607 25436 1394 1 3 . 1 1 38 38 SER HA H 38 4.819 4.819 4.716 0.103 25436 1395 1 3 . 1 1 38 38 SER C C 38 175.438 175.438 175.414 0.024 25436 1396 1 3 . 1 1 38 38 SER CA C 38 61.462 61.462 59.768 1.694 25436 1397 1 3 . 1 1 38 38 SER CB C 38 62.737 62.737 62.909 -0.172 25436 1398 1 3 . 1 1 38 38 SER H H 38 8.827 8.827 8.668 0.159 25436 1399 1 3 . 1 1 39 39 LYS N N 39 119.345 119.345 117.518 1.827 25436 1400 1 3 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.214 -0.247 25436 1401 1 3 . 1 1 39 39 LYS C C 39 177.063 177.063 176.270 0.793 25436 1402 1 3 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.384 0.875 25436 1403 1 3 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.738 -0.176 25436 1404 1 3 . 1 1 39 39 LYS H H 39 7.057 7.057 8.147 -1.090 25436 1405 1 3 . 1 1 40 40 TYR N N 40 114.420 114.420 118.969 -4.549 25436 1406 1 3 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.585 -0.304 25436 1407 1 3 . 1 1 40 40 TYR C C 40 174.841 174.841 174.467 0.374 25436 1408 1 3 . 1 1 40 40 TYR CA C 40 58.856 58.856 58.072 0.784 25436 1409 1 3 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.590 -2.229 25436 1410 1 3 . 1 1 40 40 TYR H H 40 6.956 6.956 7.721 -0.765 25436 1411 1 3 . 1 1 41 41 GLY N N 41 106.506 106.506 105.190 1.316 25436 1412 1 3 . 1 1 41 41 GLY C C 41 170.572 170.572 172.062 -1.490 25436 1413 1 3 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.357 -0.786 25436 1414 1 3 . 1 1 41 41 GLY H H 41 7.430 7.430 7.435 -0.005 25436 1415 1 3 . 1 1 42 42 LYS N N 42 117.771 117.771 121.183 -3.412 25436 1416 1 3 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.579 -0.378 25436 1417 1 3 . 1 1 42 42 LYS C C 42 176.535 176.535 176.242 0.293 25436 1418 1 3 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.655 2.477 25436 1419 1 3 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.678 0.278 25436 1420 1 3 . 1 1 42 42 LYS H H 42 8.037 8.037 8.332 -0.295 25436 1421 1 3 . 1 1 43 43 ILE N N 43 127.134 127.134 126.944 0.190 25436 1422 1 3 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.394 -0.368 25436 1423 1 3 . 1 1 43 43 ILE C C 43 176.992 176.992 176.000 0.992 25436 1424 1 3 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.824 -0.428 25436 1425 1 3 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.784 0.083 25436 1426 1 3 . 1 1 43 43 ILE H H 43 8.720 8.720 8.537 0.183 25436 1427 1 3 . 1 1 44 44 VAL N N 44 121.988 121.988 119.725 2.263 25436 1428 1 3 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.557 -0.189 25436 1429 1 3 . 1 1 44 44 VAL C C 44 176.854 176.854 175.358 1.496 25436 1430 1 3 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.644 1.241 25436 1431 1 3 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.091 -0.619 25436 1432 1 3 . 1 1 44 44 VAL H H 44 8.707 8.707 8.960 -0.253 25436 1433 1 3 . 1 1 45 45 GLY N N 45 109.497 109.497 108.042 1.455 25436 1434 1 3 . 1 1 45 45 GLY C C 45 171.265 171.265 171.749 -0.484 25436 1435 1 3 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.698 -0.681 25436 1436 1 3 . 1 1 45 45 GLY H H 45 7.541 7.541 7.521 0.020 25436 1437 1 3 . 1 1 46 46 CYS N N 46 124.565 124.565 122.269 2.296 25436 1438 1 3 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.210 -0.199 25436 1439 1 3 . 1 1 46 46 CYS C C 46 172.072 172.072 172.242 -0.170 25436 1440 1 3 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.498 0.486 25436 1441 1 3 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.518 -2.189 25436 1442 1 3 . 1 1 46 46 CYS H H 46 8.983 8.983 9.052 -0.069 25436 1443 1 3 . 1 1 47 47 SER N N 47 122.911 122.911 119.178 3.733 25436 1444 1 3 . 1 1 47 47 SER HA H 47 4.906 4.906 4.883 0.023 25436 1445 1 3 . 1 1 47 47 SER C C 47 171.848 171.848 171.762 0.086 25436 1446 1 3 . 1 1 47 47 SER CA C 47 56.487 56.487 57.346 -0.859 25436 1447 1 3 . 1 1 47 47 SER CB C 47 65.679 65.679 65.804 -0.125 25436 1448 1 3 . 1 1 47 47 SER H H 47 8.568 8.568 8.898 -0.330 25436 1449 1 3 . 1 1 48 48 VAL N N 48 121.488 121.488 121.846 -0.358 25436 1450 1 3 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.180 -0.038 25436 1451 1 3 . 1 1 48 48 VAL C C 48 173.990 173.990 173.600 0.390 25436 1452 1 3 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.949 1.298 25436 1453 1 3 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.177 -1.310 25436 1454 1 3 . 1 1 48 48 VAL H H 48 8.588 8.588 8.121 0.467 25436 1455 1 3 . 1 1 49 49 HIS N N 49 130.227 130.227 124.815 5.412 25436 1456 1 3 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.768 -0.359 25436 1457 1 3 . 1 1 49 49 HIS C C 49 173.949 173.949 173.677 0.272 25436 1458 1 3 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.199 0.467 25436 1459 1 3 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.840 -0.723 25436 1460 1 3 . 1 1 49 49 HIS H H 49 8.380 8.380 8.572 -0.192 25436 1461 1 3 . 1 1 50 50 LYS N N 50 121.171 121.171 119.362 1.809 25436 1462 1 3 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.906 0.528 25436 1463 1 3 . 1 1 50 50 LYS C C 50 175.527 175.527 177.286 -1.759 25436 1464 1 3 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.889 -0.971 25436 1465 1 3 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.674 -2.253 25436 1466 1 3 . 1 1 50 50 LYS H H 50 7.717 7.717 8.161 -0.444 25436 1467 1 3 . 1 1 51 51 GLY N N 51 113.993 113.993 110.797 3.196 25436 1468 1 3 . 1 1 51 51 GLY C C 51 174.252 174.252 173.092 1.160 25436 1469 1 3 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.446 -1.039 25436 1470 1 3 . 1 1 51 51 GLY H H 51 9.404 9.404 8.805 0.599 25436 1471 1 3 . 1 1 52 52 PHE N N 52 112.326 112.326 114.567 -2.241 25436 1472 1 3 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.611 -0.319 25436 1473 1 3 . 1 1 52 52 PHE C C 52 171.605 171.605 172.996 -1.391 25436 1474 1 3 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.391 0.863 25436 1475 1 3 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.481 -0.440 25436 1476 1 3 . 1 1 52 52 PHE H H 52 7.006 7.006 7.049 -0.043 25436 1477 1 3 . 1 1 53 53 ALA N N 53 119.722 119.722 119.346 0.376 25436 1478 1 3 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.832 -0.024 25436 1479 1 3 . 1 1 53 53 ALA C C 53 173.029 173.029 174.515 -1.486 25436 1480 1 3 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.046 -0.750 25436 1481 1 3 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.491 2.308 25436 1482 1 3 . 1 1 53 53 ALA H H 53 8.677 8.677 8.487 0.190 25436 1483 1 3 . 1 1 54 54 PHE N N 54 112.104 112.104 116.258 -4.154 25436 1484 1 3 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.670 -0.090 25436 1485 1 3 . 1 1 54 54 PHE C C 54 175.794 175.794 174.227 1.567 25436 1486 1 3 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.983 -0.269 25436 1487 1 3 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.535 -0.249 25436 1488 1 3 . 1 1 54 54 PHE H H 54 8.797 8.797 9.027 -0.230 25436 1489 1 3 . 1 1 55 55 VAL N N 55 118.542 118.542 120.818 -2.276 25436 1490 1 3 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.437 -0.224 25436 1491 1 3 . 1 1 55 55 VAL C C 55 172.806 172.806 173.748 -0.942 25436 1492 1 3 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.157 0.771 25436 1493 1 3 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.765 -0.845 25436 1494 1 3 . 1 1 55 55 VAL H H 55 8.295 8.295 8.678 -0.383 25436 1495 1 3 . 1 1 56 56 GLN N N 56 128.473 128.473 125.027 3.446 25436 1496 1 3 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.765 -0.195 25436 1497 1 3 . 1 1 56 56 GLN C C 56 173.893 173.893 174.334 -0.441 25436 1498 1 3 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.874 0.390 25436 1499 1 3 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.663 1.407 25436 1500 1 3 . 1 1 56 56 GLN H H 56 9.263 9.263 8.919 0.344 25436 1501 1 3 . 1 1 57 57 TYR N N 57 127.679 127.679 125.366 2.313 25436 1502 1 3 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.258 0.029 25436 1503 1 3 . 1 1 57 57 TYR C C 57 175.609 175.609 176.988 -1.379 25436 1504 1 3 . 1 1 57 57 TYR CA C 57 58.668 58.668 56.970 1.698 25436 1505 1 3 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.212 -0.179 25436 1506 1 3 . 1 1 57 57 TYR H H 57 8.928 8.928 8.889 0.039 25436 1507 1 3 . 1 1 58 58 VAL N N 58 116.710 116.710 118.021 -1.311 25436 1508 1 3 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.833 0.282 25436 1509 1 3 . 1 1 58 58 VAL C C 58 175.859 175.859 174.866 0.993 25436 1510 1 3 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.647 -0.590 25436 1511 1 3 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.177 0.836 25436 1512 1 3 . 1 1 58 58 VAL H H 58 9.479 9.479 8.588 0.891 25436 1513 1 3 . 1 1 59 59 ASN N N 59 112.455 112.455 113.066 -0.611 25436 1514 1 3 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.836 0.323 25436 1515 1 3 . 1 1 59 59 ASN C C 59 174.482 174.482 175.047 -0.565 25436 1516 1 3 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.974 -0.032 25436 1517 1 3 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.387 1.805 25436 1518 1 3 . 1 1 59 59 ASN H H 59 7.218 7.218 7.541 -0.323 25436 1519 1 3 . 1 1 60 60 GLU N N 60 124.337 124.337 121.354 2.983 25436 1520 1 3 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.252 0.067 25436 1521 1 3 . 1 1 60 60 GLU C C 60 178.201 178.201 178.176 0.025 25436 1522 1 3 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.684 -0.944 25436 1523 1 3 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.968 0.389 25436 1524 1 3 . 1 1 60 60 GLU H H 60 8.808 8.808 8.995 -0.187 25436 1525 1 3 . 1 1 61 61 ARG N N 61 118.265 118.265 119.780 -1.515 25436 1526 1 3 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.033 -0.036 25436 1527 1 3 . 1 1 61 61 ARG C C 61 179.340 179.340 178.650 0.690 25436 1528 1 3 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.671 0.808 25436 1529 1 3 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.299 0.055 25436 1530 1 3 . 1 1 61 61 ARG H H 61 8.630 8.630 7.911 0.719 25436 1531 1 3 . 1 1 62 62 ASN N N 62 118.081 118.081 117.839 0.242 25436 1532 1 3 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.284 -0.004 25436 1533 1 3 . 1 1 62 62 ASN C C 62 174.851 174.851 176.789 -1.938 25436 1534 1 3 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.258 0.194 25436 1535 1 3 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.323 0.695 25436 1536 1 3 . 1 1 62 62 ASN H H 62 7.785 7.785 8.923 -1.138 25436 1537 1 3 . 1 1 63 63 ALA N N 63 119.543 119.543 123.282 -3.739 25436 1538 1 3 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.451 -0.695 25436 1539 1 3 . 1 1 63 63 ALA C C 63 178.861 178.861 179.524 -0.663 25436 1540 1 3 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.146 -0.185 25436 1541 1 3 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.772 -0.232 25436 1542 1 3 . 1 1 63 63 ALA H H 63 6.779 6.779 7.415 -0.636 25436 1543 1 3 . 1 1 64 64 ARG N N 64 114.965 114.965 117.355 -2.390 25436 1544 1 3 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.087 -0.245 25436 1545 1 3 . 1 1 64 64 ARG C C 64 179.775 179.775 178.601 1.174 25436 1546 1 3 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.579 2.611 25436 1547 1 3 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.459 -0.146 25436 1548 1 3 . 1 1 64 64 ARG H H 64 8.755 8.755 8.444 0.311 25436 1549 1 3 . 1 1 65 65 ALA N N 65 123.704 123.704 121.827 1.877 25436 1550 1 3 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.230 -0.100 25436 1551 1 3 . 1 1 65 65 ALA C C 65 179.560 179.560 178.669 0.891 25436 1552 1 3 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.919 0.060 25436 1553 1 3 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.334 -0.442 25436 1554 1 3 . 1 1 65 65 ALA H H 65 7.823 7.823 7.564 0.259 25436 1555 1 3 . 1 1 66 66 ALA N N 66 123.797 123.797 119.040 4.757 25436 1556 1 3 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.431 -1.355 25436 1557 1 3 . 1 1 66 66 ALA C C 66 179.259 179.259 179.343 -0.084 25436 1558 1 3 . 1 1 66 66 ALA CA C 66 54.288 54.288 53.999 0.289 25436 1559 1 3 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.098 0.177 25436 1560 1 3 . 1 1 66 66 ALA H H 66 7.545 7.545 7.517 0.028 25436 1561 1 3 . 1 1 67 67 VAL N N 67 116.549 116.549 118.023 -1.474 25436 1562 1 3 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.807 -0.453 25436 1563 1 3 . 1 1 67 67 VAL C C 67 177.744 177.744 176.468 1.276 25436 1564 1 3 . 1 1 67 67 VAL CA C 67 66.533 66.533 65.957 0.577 25436 1565 1 3 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.688 0.281 25436 1566 1 3 . 1 1 67 67 VAL H H 67 7.619 7.619 8.512 -0.893 25436 1567 1 3 . 1 1 68 68 ALA N N 68 118.193 118.193 119.365 -1.172 25436 1568 1 3 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.473 -0.346 25436 1569 1 3 . 1 1 68 68 ALA C C 68 180.748 180.748 177.979 2.769 25436 1570 1 3 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.829 1.532 25436 1571 1 3 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.332 -1.204 25436 1572 1 3 . 1 1 68 68 ALA H H 68 7.550 7.550 7.481 0.069 25436 1573 1 3 . 1 1 69 69 GLY N N 69 103.773 103.773 107.131 -3.358 25436 1574 1 3 . 1 1 69 69 GLY C C 69 175.626 175.626 175.504 0.122 25436 1575 1 3 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.630 0.496 25436 1576 1 3 . 1 1 69 69 GLY H H 69 8.140 8.140 7.495 0.645 25436 1577 1 3 . 1 1 70 70 GLU N N 70 114.547 114.547 118.251 -3.704 25436 1578 1 3 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.259 0.377 25436 1579 1 3 . 1 1 70 70 GLU C C 70 176.391 176.391 175.536 0.855 25436 1580 1 3 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.548 -0.389 25436 1581 1 3 . 1 1 70 70 GLU CB C 70 31.265 31.265 30.357 0.908 25436 1582 1 3 . 1 1 70 70 GLU H H 70 7.654 7.654 7.701 -0.047 25436 1583 1 3 . 1 1 71 71 ASP N N 71 118.202 118.202 120.029 -1.827 25436 1584 1 3 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.287 0.000 25436 1585 1 3 . 1 1 71 71 ASP C C 71 178.698 178.698 177.725 0.973 25436 1586 1 3 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.024 1.507 25436 1587 1 3 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.930 0.441 25436 1588 1 3 . 1 1 71 71 ASP H H 71 8.020 8.020 7.490 0.530 25436 1589 1 3 . 1 1 72 72 GLY N N 72 114.301 114.301 114.588 -0.287 25436 1590 1 3 . 1 1 72 72 GLY C C 72 173.791 173.791 173.617 0.174 25436 1591 1 3 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.178 0.581 25436 1592 1 3 . 1 1 72 72 GLY H H 72 8.305 8.305 8.423 -0.118 25436 1593 1 3 . 1 1 73 73 ARG N N 73 121.994 121.994 118.467 3.527 25436 1594 1 3 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.536 -0.341 25436 1595 1 3 . 1 1 73 73 ARG C C 73 175.187 175.187 174.889 0.298 25436 1596 1 3 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.767 1.735 25436 1597 1 3 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.813 -0.561 25436 1598 1 3 . 1 1 73 73 ARG H H 73 7.980 7.980 7.747 0.233 25436 1599 1 3 . 1 1 74 74 MET N N 74 125.081 125.081 122.064 3.017 25436 1600 1 3 . 1 1 74 74 MET HA H 74 4.823 4.823 5.110 -0.287 25436 1601 1 3 . 1 1 74 74 MET C C 74 175.726 175.726 175.126 0.600 25436 1602 1 3 . 1 1 74 74 MET CA C 74 55.029 55.029 55.210 -0.181 25436 1603 1 3 . 1 1 74 74 MET CB C 74 33.092 33.092 34.550 -1.458 25436 1604 1 3 . 1 1 74 74 MET H H 74 8.712 8.712 8.411 0.301 25436 1605 1 3 . 1 1 75 75 ILE N N 75 127.490 127.490 125.561 1.929 25436 1606 1 3 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.482 -0.100 25436 1607 1 3 . 1 1 75 75 ILE C C 75 175.276 175.276 175.501 -0.225 25436 1608 1 3 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.855 -1.051 25436 1609 1 3 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.178 -0.782 25436 1610 1 3 . 1 1 75 75 ILE H H 75 8.589 8.589 8.956 -0.367 25436 1611 1 3 . 1 1 76 76 ALA N N 76 132.147 132.147 127.551 4.596 25436 1612 1 3 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.036 0.002 25436 1613 1 3 . 1 1 76 76 ALA C C 76 177.205 177.205 177.771 -0.566 25436 1614 1 3 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.082 -1.148 25436 1615 1 3 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.010 0.138 25436 1616 1 3 . 1 1 76 76 ALA H H 76 9.547 9.547 8.966 0.581 25436 1617 1 3 . 1 1 77 77 GLY N N 77 101.695 101.695 101.910 -0.215 25436 1618 1 3 . 1 1 77 77 GLY C C 77 174.205 174.205 174.157 0.048 25436 1619 1 3 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.957 0.806 25436 1620 1 3 . 1 1 77 77 GLY H H 77 8.445 8.445 8.341 0.104 25436 1621 1 3 . 1 1 78 78 GLN N N 78 119.020 119.020 118.756 0.264 25436 1622 1 3 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.714 0.015 25436 1623 1 3 . 1 1 78 78 GLN C C 78 174.046 174.046 174.273 -0.227 25436 1624 1 3 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.169 0.026 25436 1625 1 3 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.773 -0.883 25436 1626 1 3 . 1 1 78 78 GLN H H 78 7.720 7.720 7.833 -0.113 25436 1627 1 3 . 1 1 79 79 VAL N N 79 123.374 123.374 121.703 1.671 25436 1628 1 3 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.933 -0.921 25436 1629 1 3 . 1 1 79 79 VAL C C 79 176.347 176.347 175.644 0.703 25436 1630 1 3 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.271 1.384 25436 1631 1 3 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.044 -0.960 25436 1632 1 3 . 1 1 79 79 VAL H H 79 8.532 8.532 8.397 0.135 25436 1633 1 3 . 1 1 80 80 LEU N N 80 128.569 128.569 122.409 6.160 25436 1634 1 3 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.911 -0.624 25436 1635 1 3 . 1 1 80 80 LEU C C 80 176.521 176.521 175.260 1.261 25436 1636 1 3 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.166 3.897 25436 1637 1 3 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.093 -0.272 25436 1638 1 3 . 1 1 80 80 LEU H H 80 9.014 9.014 8.171 0.843 25436 1639 1 3 . 1 1 81 81 ASP N N 81 124.359 124.359 122.717 1.642 25436 1640 1 3 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.110 0.115 25436 1641 1 3 . 1 1 81 81 ASP C C 81 174.659 174.659 175.376 -0.717 25436 1642 1 3 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.928 0.027 25436 1643 1 3 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.516 1.156 25436 1644 1 3 . 1 1 81 81 ASP H H 81 7.850 7.850 8.339 -0.489 25436 1645 1 3 . 1 1 82 82 ILE N N 82 123.155 123.155 126.503 -3.348 25436 1646 1 3 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.918 0.484 25436 1647 1 3 . 1 1 82 82 ILE C C 82 174.520 174.520 175.298 -0.778 25436 1648 1 3 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.246 -1.014 25436 1649 1 3 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.504 1.459 25436 1650 1 3 . 1 1 82 82 ILE H H 82 9.086 9.086 8.468 0.618 25436 1651 1 3 . 1 1 83 83 ASN N N 83 116.417 116.417 122.775 -6.358 25436 1652 1 3 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.994 -0.147 25436 1653 1 3 . 1 1 83 83 ASN C C 83 174.565 174.565 173.750 0.815 25436 1654 1 3 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.084 0.964 25436 1655 1 3 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.324 0.786 25436 1656 1 3 . 1 1 83 83 ASN H H 83 8.495 8.495 8.611 -0.116 25436 1657 1 3 . 1 1 84 84 LEU N N 84 123.786 123.786 121.155 2.631 25436 1658 1 3 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.624 0.098 25436 1659 1 3 . 1 1 84 84 LEU C C 84 180.968 180.968 178.595 2.373 25436 1660 1 3 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.499 -0.200 25436 1661 1 3 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.469 -2.153 25436 1662 1 3 . 1 1 84 84 LEU H H 84 9.427 9.427 8.788 0.639 25436 1663 1 3 . 1 1 85 85 ALA N N 85 127.571 127.571 125.315 2.256 25436 1664 1 3 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.409 -0.361 25436 1665 1 3 . 1 1 85 85 ALA C C 85 177.931 177.931 176.741 1.190 25436 1666 1 3 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.022 2.274 25436 1667 1 3 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.044 -1.091 25436 1668 1 3 . 1 1 85 85 ALA H H 85 9.295 9.295 8.637 0.658 25436 1669 1 3 . 1 1 86 86 ALA N N 86 115.985 115.985 118.712 -2.727 25436 1670 1 3 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.414 -0.003 25436 1671 1 3 . 1 1 86 86 ALA C C 86 176.152 176.152 176.721 -0.569 25436 1672 1 3 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.991 -0.219 25436 1673 1 3 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.112 0.213 25436 1674 1 3 . 1 1 86 86 ALA H H 86 8.657 8.657 8.202 0.455 25436 1675 1 3 . 1 1 87 87 GLU N N 87 118.975 118.975 119.715 -0.740 25436 1676 1 3 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.634 0.101 25436 1677 1 3 . 1 1 87 87 GLU C C 87 171.676 171.676 174.071 -2.395 25436 1678 1 3 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.416 -0.268 25436 1679 1 3 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.006 -0.090 25436 1680 1 3 . 1 1 87 87 GLU H H 87 7.913 7.913 7.916 -0.003 25436 1681 1 3 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.534 -0.187 25436 1682 1 3 . 1 1 88 88 PRO C C 88 177.303 177.303 176.358 0.945 25436 1683 1 3 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.332 -0.454 25436 1684 1 3 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.450 -0.548 25436 1685 1 3 . 1 1 89 89 LYS N N 89 121.335 121.335 122.703 -1.368 25436 1686 1 3 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.390 -0.150 25436 1687 1 3 . 1 1 89 89 LYS C C 89 177.689 177.689 175.765 1.924 25436 1688 1 3 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.748 0.003 25436 1689 1 3 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.678 -0.242 25436 1690 1 3 . 1 1 89 89 LYS H H 89 8.020 8.020 8.433 -0.413 25436 1691 1 3 . 1 1 90 90 VAL N N 90 120.786 120.786 120.055 0.731 25436 1692 1 3 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.233 -0.311 25436 1693 1 3 . 1 1 90 90 VAL C C 90 176.169 176.169 175.711 0.458 25436 1694 1 3 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.236 2.062 25436 1695 1 3 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.184 -0.917 25436 1696 1 3 . 1 1 90 90 VAL H H 90 8.232 8.232 7.878 0.354 25436 1697 1 3 . 1 1 91 91 ASN N N 91 119.214 119.214 120.984 -1.770 25436 1698 1 3 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.727 -0.068 25436 1699 1 3 . 1 1 91 91 ASN C C 91 175.172 175.172 175.215 -0.043 25436 1700 1 3 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.355 -0.327 25436 1701 1 3 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.344 -0.175 25436 1702 1 3 . 1 1 91 91 ASN H H 91 8.453 8.453 8.624 -0.171 25436 1703 1 3 . 1 1 92 92 ARG N N 92 120.709 120.709 116.294 4.415 25436 1704 1 3 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.069 0.185 25436 1705 1 3 . 1 1 92 92 ARG C C 92 176.991 176.991 176.507 0.484 25436 1706 1 3 . 1 1 92 92 ARG CA C 92 56.500 56.500 57.010 -0.510 25436 1707 1 3 . 1 1 92 92 ARG CB C 92 30.607 30.607 27.911 2.696 25436 1708 1 3 . 1 1 92 92 ARG H H 92 7.925 7.925 8.338 -0.413 25436 1709 1 3 . 1 1 93 93 GLY N N 93 110.299 110.299 106.807 3.492 25436 1710 1 3 . 1 1 93 93 GLY C C 93 174.245 174.245 174.539 -0.294 25436 1711 1 3 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.975 0.441 25436 1712 1 3 . 1 1 93 93 GLY H H 93 8.593 8.593 8.538 0.055 25436 1713 1 3 . 1 1 94 94 LYS N N 94 120.781 120.781 115.352 5.429 25436 1714 1 3 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.924 0.370 25436 1715 1 3 . 1 1 94 94 LYS C C 94 176.524 176.524 174.838 1.686 25436 1716 1 3 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.591 -1.484 25436 1717 1 3 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.587 1.553 25436 1718 1 3 . 1 1 94 94 LYS H H 94 8.126 8.126 8.075 0.051 25436 1719 1 3 . 1 1 95 95 ALA N N 95 125.012 125.012 118.350 6.662 25436 1720 1 3 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.837 -0.538 25436 1721 1 3 . 1 1 95 95 ALA C C 95 178.324 178.324 177.834 0.490 25436 1722 1 3 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.337 1.464 25436 1723 1 3 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.846 -1.668 25436 1724 1 3 . 1 1 95 95 ALA H H 95 8.435 8.435 7.341 1.094 25436 1725 1 3 . 1 1 96 96 GLY N N 96 108.312 108.312 108.221 0.091 25436 1726 1 3 . 1 1 96 96 GLY C C 96 174.095 174.095 174.708 -0.613 25436 1727 1 3 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.107 -0.825 25436 1728 1 3 . 1 1 96 96 GLY H H 96 8.414 8.414 8.934 -0.520 25436 1729 1 3 . 1 1 97 97 VAL N N 97 119.818 119.818 119.154 0.664 25436 1730 1 3 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.906 0.166 25436 1731 1 3 . 1 1 97 97 VAL C C 97 176.155 176.155 176.768 -0.613 25436 1732 1 3 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.555 -1.211 25436 1733 1 3 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.758 0.999 25436 1734 1 3 . 1 1 97 97 VAL H H 97 7.919 7.919 7.675 0.244 25436 1735 1 3 . 1 1 98 98 LYS N N 98 125.912 125.912 120.231 5.681 25436 1736 1 3 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.314 0.019 25436 1737 1 3 . 1 1 98 98 LYS C C 98 176.426 176.426 176.578 -0.152 25436 1738 1 3 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.883 0.286 25436 1739 1 3 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.888 0.160 25436 1740 1 3 . 1 1 98 98 LYS H H 98 8.466 8.466 7.464 1.002 25436 1741 1 3 . 1 1 99 99 ARG N N 99 123.544 123.544 120.215 3.329 25436 1742 1 3 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.624 -0.255 25436 1743 1 3 . 1 1 99 99 ARG C C 99 176.230 176.230 175.837 0.393 25436 1744 1 3 . 1 1 99 99 ARG CA C 99 55.994 55.994 54.811 1.183 25436 1745 1 3 . 1 1 99 99 ARG CB C 99 31.164 31.164 32.520 -1.356 25436 1746 1 3 . 1 1 99 99 ARG H H 99 8.468 8.468 8.521 -0.053 25436 1747 1 3 . 1 1 100 100 SER N N 100 117.781 117.781 115.978 1.803 25436 1748 1 3 . 1 1 100 100 SER HA H 100 4.452 4.452 4.448 0.004 25436 1749 1 3 . 1 1 100 100 SER C C 100 174.555 174.555 176.201 -1.646 25436 1750 1 3 . 1 1 100 100 SER CA C 100 58.036 58.036 57.465 0.571 25436 1751 1 3 . 1 1 100 100 SER CB C 100 64.139 64.139 64.063 0.076 25436 1752 1 3 . 1 1 100 100 SER H H 100 8.507 8.507 8.665 -0.158 25436 1753 1 3 . 1 1 101 101 ALA N N 101 126.090 126.090 127.742 -1.652 25436 1754 1 3 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.270 0.000 25436 1755 1 3 . 1 1 101 101 ALA C C 101 178.046 178.046 177.277 0.769 25436 1756 1 3 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.665 -0.395 25436 1757 1 3 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.522 0.510 25436 1758 1 3 . 1 1 101 101 ALA H H 101 8.529 8.529 9.172 -0.643 25436 1759 1 3 . 1 1 102 102 ALA N N 102 121.750 121.750 118.820 2.930 25436 1760 1 3 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.468 -0.241 25436 1761 1 3 . 1 1 102 102 ALA C C 102 178.253 178.253 177.209 1.044 25436 1762 1 3 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.558 0.437 25436 1763 1 3 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.346 -1.268 25436 1764 1 3 . 1 1 102 102 ALA H H 102 8.219 8.219 7.466 0.753 25436 1765 1 3 . 1 1 103 103 GLU N N 103 118.819 118.819 117.236 1.583 25436 1766 1 3 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.456 -0.254 25436 1767 1 3 . 1 1 103 103 GLU C C 103 176.515 176.515 176.986 -0.471 25436 1768 1 3 . 1 1 103 103 GLU CA C 103 56.669 56.669 56.230 0.439 25436 1769 1 3 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.460 -0.298 25436 1770 1 3 . 1 1 103 103 GLU H H 103 8.100 8.100 7.905 0.195 25436 1771 1 3 . 1 1 104 104 MET N N 104 120.178 120.178 118.467 1.711 25436 1772 1 3 . 1 1 104 104 MET HA H 104 4.332 4.332 4.207 0.125 25436 1773 1 3 . 1 1 104 104 MET C C 104 175.861 175.861 176.228 -0.367 25436 1774 1 3 . 1 1 104 104 MET CA C 104 55.869 55.869 57.439 -1.570 25436 1775 1 3 . 1 1 104 104 MET CB C 104 32.993 32.993 33.479 -0.486 25436 1776 1 3 . 1 1 104 104 MET H H 104 8.086 8.086 7.824 0.262 25436 1777 1 3 . 1 1 105 105 TYR N N 105 120.369 120.369 116.251 4.118 25436 1778 1 3 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.583 0.069 25436 1779 1 3 . 1 1 105 105 TYR C C 105 175.318 175.318 176.317 -0.999 25436 1780 1 3 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.494 0.091 25436 1781 1 3 . 1 1 105 105 TYR CB C 105 38.891 38.891 39.014 -0.123 25436 1782 1 3 . 1 1 105 105 TYR H H 105 8.137 8.137 7.979 0.158 25436 1783 1 4 . 1 1 3 3 SER HA H 3 4.564 4.564 4.429 0.135 25436 1784 1 4 . 1 1 3 3 SER C C 3 173.407 173.407 174.637 -1.230 25436 1785 1 4 . 1 1 3 3 SER CA C 3 58.309 58.309 56.907 1.402 25436 1786 1 4 . 1 1 3 3 SER CB C 3 63.980 63.980 63.601 0.379 25436 1787 1 4 . 1 1 4 4 ASN N N 4 120.204 120.204 118.411 1.793 25436 1788 1 4 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.155 0.062 25436 1789 1 4 . 1 1 4 4 ASN C C 4 176.242 176.242 174.613 1.629 25436 1790 1 4 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.211 0.824 25436 1791 1 4 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.687 0.028 25436 1792 1 4 . 1 1 4 4 ASN H H 4 8.783 8.783 8.621 0.162 25436 1793 1 4 . 1 1 5 5 VAL N N 5 122.598 122.598 120.448 2.150 25436 1794 1 4 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.334 -0.564 25436 1795 1 4 . 1 1 5 5 VAL C C 5 177.222 177.222 174.597 2.625 25436 1796 1 4 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.136 4.670 25436 1797 1 4 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.873 -3.018 25436 1798 1 4 . 1 1 5 5 VAL H H 5 8.326 8.326 7.185 1.141 25436 1799 1 4 . 1 1 6 6 THR N N 6 118.450 118.450 119.305 -0.855 25436 1800 1 4 . 1 1 6 6 THR HA H 6 4.682 4.682 4.545 0.137 25436 1801 1 4 . 1 1 6 6 THR C C 6 174.349 174.349 173.242 1.107 25436 1802 1 4 . 1 1 6 6 THR CA C 6 60.542 60.542 61.538 -0.996 25436 1803 1 4 . 1 1 6 6 THR CB C 6 69.771 69.771 68.978 0.793 25436 1804 1 4 . 1 1 6 6 THR H H 6 9.391 9.391 8.314 1.077 25436 1805 1 4 . 1 1 7 7 ASN N N 7 120.847 120.847 118.349 2.498 25436 1806 1 4 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.545 0.010 25436 1807 1 4 . 1 1 7 7 ASN C C 7 176.863 176.863 174.973 1.890 25436 1808 1 4 . 1 1 7 7 ASN CA C 7 51.909 51.909 53.042 -1.133 25436 1809 1 4 . 1 1 7 7 ASN CB C 7 38.059 38.059 38.443 -0.384 25436 1810 1 4 . 1 1 7 7 ASN H H 7 7.970 7.970 7.844 0.126 25436 1811 1 4 . 1 1 8 8 LYS N N 8 121.736 121.736 120.882 0.854 25436 1812 1 4 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.343 -0.089 25436 1813 1 4 . 1 1 8 8 LYS C C 8 180.141 180.141 177.261 2.880 25436 1814 1 4 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.121 2.100 25436 1815 1 4 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.045 -0.755 25436 1816 1 4 . 1 1 8 8 LYS H H 8 8.577 8.577 8.110 0.467 25436 1817 1 4 . 1 1 9 9 THR N N 9 110.800 110.800 111.085 -0.285 25436 1818 1 4 . 1 1 9 9 THR HA H 9 4.467 4.467 4.374 0.093 25436 1819 1 4 . 1 1 9 9 THR C C 9 174.484 174.484 173.466 1.018 25436 1820 1 4 . 1 1 9 9 THR CA C 9 61.242 61.242 61.066 0.176 25436 1821 1 4 . 1 1 9 9 THR CB C 9 69.009 69.009 69.211 -0.202 25436 1822 1 4 . 1 1 9 9 THR H H 9 8.695 8.695 8.284 0.411 25436 1823 1 4 . 1 1 10 10 ASP N N 10 120.937 120.937 123.936 -2.999 25436 1824 1 4 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.740 0.083 25436 1825 1 4 . 1 1 10 10 ASP C C 10 173.945 173.945 176.781 -2.836 25436 1826 1 4 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.544 -1.058 25436 1827 1 4 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.453 -1.903 25436 1828 1 4 . 1 1 10 10 ASP H H 10 7.908 7.908 7.943 -0.035 25436 1829 1 4 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.347 -0.197 25436 1830 1 4 . 1 1 11 11 PRO C C 11 178.420 178.420 176.309 2.111 25436 1831 1 4 . 1 1 11 11 PRO CA C 11 66.213 66.213 65.187 1.026 25436 1832 1 4 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.003 0.152 25436 1833 1 4 . 1 1 12 12 ARG N N 12 116.349 116.349 114.557 1.792 25436 1834 1 4 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.638 -0.543 25436 1835 1 4 . 1 1 12 12 ARG C C 12 180.445 180.445 176.546 3.899 25436 1836 1 4 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.556 3.015 25436 1837 1 4 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.396 -0.161 25436 1838 1 4 . 1 1 12 12 ARG H H 12 7.944 7.944 7.818 0.126 25436 1839 1 4 . 1 1 13 13 SER N N 13 119.401 119.401 116.325 3.076 25436 1840 1 4 . 1 1 13 13 SER HA H 13 4.053 4.053 4.520 -0.467 25436 1841 1 4 . 1 1 13 13 SER C C 13 175.325 175.325 175.492 -0.167 25436 1842 1 4 . 1 1 13 13 SER CA C 13 61.500 61.500 60.548 0.952 25436 1843 1 4 . 1 1 13 13 SER CB C 13 61.798 61.798 63.234 -1.436 25436 1844 1 4 . 1 1 13 13 SER H H 13 8.152 8.152 7.891 0.261 25436 1845 1 4 . 1 1 14 14 MET N N 14 120.254 120.254 116.089 4.165 25436 1846 1 4 . 1 1 14 14 MET HA H 14 4.090 4.090 4.367 -0.277 25436 1847 1 4 . 1 1 14 14 MET C C 14 178.575 178.575 175.750 2.825 25436 1848 1 4 . 1 1 14 14 MET CA C 14 58.317 58.317 56.730 1.587 25436 1849 1 4 . 1 1 14 14 MET CB C 14 31.466 31.466 32.950 -1.484 25436 1850 1 4 . 1 1 14 14 MET H H 14 8.241 8.241 7.777 0.464 25436 1851 1 4 . 1 1 15 15 ASN N N 15 115.299 115.299 111.509 3.790 25436 1852 1 4 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.936 -0.310 25436 1853 1 4 . 1 1 15 15 ASN C C 15 172.554 172.554 176.077 -3.523 25436 1854 1 4 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.062 0.998 25436 1855 1 4 . 1 1 15 15 ASN CB C 15 38.796 38.796 40.323 -1.527 25436 1856 1 4 . 1 1 15 15 ASN H H 15 7.962 7.962 7.548 0.414 25436 1857 1 4 . 1 1 16 16 SER N N 16 106.079 106.079 113.794 -7.715 25436 1858 1 4 . 1 1 16 16 SER HA H 16 4.500 4.500 4.783 -0.283 25436 1859 1 4 . 1 1 16 16 SER C C 16 172.120 172.120 173.777 -1.657 25436 1860 1 4 . 1 1 16 16 SER CA C 16 56.814 56.814 58.255 -1.442 25436 1861 1 4 . 1 1 16 16 SER CB C 16 63.439 63.439 63.765 -0.326 25436 1862 1 4 . 1 1 16 16 SER H H 16 7.249 7.249 7.765 -0.516 25436 1863 1 4 . 1 1 17 17 ARG N N 17 123.335 123.335 122.134 1.201 25436 1864 1 4 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.360 0.225 25436 1865 1 4 . 1 1 17 17 ARG C C 17 174.490 174.490 174.566 -0.076 25436 1866 1 4 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.912 -0.548 25436 1867 1 4 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.729 -0.871 25436 1868 1 4 . 1 1 17 17 ARG H H 17 7.400 7.400 7.529 -0.129 25436 1869 1 4 . 1 1 18 18 VAL N N 18 122.241 122.241 122.054 0.187 25436 1870 1 4 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.693 0.024 25436 1871 1 4 . 1 1 18 18 VAL C C 18 174.862 174.862 174.271 0.591 25436 1872 1 4 . 1 1 18 18 VAL CA C 18 60.723 60.723 60.900 -0.177 25436 1873 1 4 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.907 0.374 25436 1874 1 4 . 1 1 18 18 VAL H H 18 9.264 9.264 8.957 0.307 25436 1875 1 4 . 1 1 19 19 PHE N N 19 125.933 125.933 128.985 -3.052 25436 1876 1 4 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.365 0.101 25436 1877 1 4 . 1 1 19 19 PHE C C 19 171.966 171.966 173.497 -1.531 25436 1878 1 4 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.340 1.784 25436 1879 1 4 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.818 -0.873 25436 1880 1 4 . 1 1 19 19 PHE H H 19 9.162 9.162 9.236 -0.074 25436 1881 1 4 . 1 1 20 20 ILE N N 20 126.425 126.425 126.780 -0.355 25436 1882 1 4 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.105 -0.236 25436 1883 1 4 . 1 1 20 20 ILE C C 20 173.048 173.048 174.166 -1.118 25436 1884 1 4 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.061 -0.731 25436 1885 1 4 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.690 0.345 25436 1886 1 4 . 1 1 20 20 ILE H H 20 7.723 7.723 7.739 -0.016 25436 1887 1 4 . 1 1 21 21 GLY N N 21 113.255 113.255 110.816 2.439 25436 1888 1 4 . 1 1 21 21 GLY C C 21 173.768 173.768 174.263 -0.495 25436 1889 1 4 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.013 0.917 25436 1890 1 4 . 1 1 21 21 GLY H H 21 8.498 8.498 8.192 0.306 25436 1891 1 4 . 1 1 22 22 ASN N N 22 116.172 116.172 115.498 0.674 25436 1892 1 4 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.282 0.147 25436 1893 1 4 . 1 1 22 22 ASN C C 22 174.204 174.204 174.564 -0.360 25436 1894 1 4 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.181 -0.663 25436 1895 1 4 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.384 0.391 25436 1896 1 4 . 1 1 22 22 ASN H H 22 7.227 7.227 8.491 -1.264 25436 1897 1 4 . 1 1 23 23 LEU N N 23 119.429 119.429 118.595 0.834 25436 1898 1 4 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.293 -0.350 25436 1899 1 4 . 1 1 23 23 LEU C C 23 176.550 176.550 175.966 0.584 25436 1900 1 4 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.769 -2.192 25436 1901 1 4 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.145 1.223 25436 1902 1 4 . 1 1 23 23 LEU H H 23 7.110 7.110 7.524 -0.414 25436 1903 1 4 . 1 1 24 24 ASN N N 24 122.292 122.292 120.816 1.476 25436 1904 1 4 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.630 0.442 25436 1905 1 4 . 1 1 24 24 ASN C C 24 175.830 175.830 175.548 0.282 25436 1906 1 4 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.423 -1.922 25436 1907 1 4 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.589 -2.998 25436 1908 1 4 . 1 1 24 24 ASN H H 24 8.975 8.975 8.887 0.088 25436 1909 1 4 . 1 1 25 25 THR N N 25 118.371 118.371 117.038 1.333 25436 1910 1 4 . 1 1 25 25 THR HA H 25 4.411 4.411 4.311 0.100 25436 1911 1 4 . 1 1 25 25 THR C C 25 175.285 175.285 175.090 0.195 25436 1912 1 4 . 1 1 25 25 THR CA C 25 63.453 63.453 62.114 1.339 25436 1913 1 4 . 1 1 25 25 THR CB C 25 67.150 67.150 69.092 -1.942 25436 1914 1 4 . 1 1 25 25 THR H H 25 8.466 8.466 8.169 0.297 25436 1915 1 4 . 1 1 26 26 LEU N N 26 121.017 121.017 119.706 1.311 25436 1916 1 4 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.378 -0.171 25436 1917 1 4 . 1 1 26 26 LEU C C 26 178.243 178.243 176.862 1.381 25436 1918 1 4 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.318 0.421 25436 1919 1 4 . 1 1 26 26 LEU CB C 26 41.132 41.132 41.980 -0.848 25436 1920 1 4 . 1 1 26 26 LEU H H 26 7.583 7.583 7.935 -0.352 25436 1921 1 4 . 1 1 27 27 VAL N N 27 115.968 115.968 114.687 1.281 25436 1922 1 4 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.169 -0.144 25436 1923 1 4 . 1 1 27 27 VAL C C 27 175.199 175.199 176.152 -0.953 25436 1924 1 4 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.467 0.742 25436 1925 1 4 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.242 0.940 25436 1926 1 4 . 1 1 27 27 VAL H H 27 6.846 6.846 7.384 -0.538 25436 1927 1 4 . 1 1 28 28 VAL N N 28 121.753 121.753 120.459 1.294 25436 1928 1 4 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.985 -0.118 25436 1929 1 4 . 1 1 28 28 VAL C C 28 174.351 174.351 174.969 -0.618 25436 1930 1 4 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.181 0.999 25436 1931 1 4 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.183 -1.138 25436 1932 1 4 . 1 1 28 28 VAL H H 28 8.389 8.389 7.419 0.970 25436 1933 1 4 . 1 1 29 29 LYS N N 29 124.108 124.108 124.102 0.006 25436 1934 1 4 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.575 0.053 25436 1935 1 4 . 1 1 29 29 LYS C C 29 177.958 177.958 175.950 2.008 25436 1936 1 4 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.495 -0.835 25436 1937 1 4 . 1 1 29 29 LYS CB C 29 34.456 34.456 33.928 0.528 25436 1938 1 4 . 1 1 29 29 LYS H H 29 8.929 8.929 7.607 1.322 25436 1939 1 4 . 1 1 30 30 LYS N N 30 123.352 123.352 121.349 2.003 25436 1940 1 4 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.919 -0.256 25436 1941 1 4 . 1 1 30 30 LYS C C 30 177.638 177.638 178.205 -0.567 25436 1942 1 4 . 1 1 30 30 LYS CA C 30 61.400 61.400 60.009 1.391 25436 1943 1 4 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.061 0.595 25436 1944 1 4 . 1 1 30 30 LYS H H 30 8.994 8.994 8.738 0.256 25436 1945 1 4 . 1 1 31 31 SER N N 31 111.491 111.491 109.730 1.761 25436 1946 1 4 . 1 1 31 31 SER HA H 31 4.175 4.175 4.661 -0.486 25436 1947 1 4 . 1 1 31 31 SER C C 31 177.616 177.616 175.052 2.564 25436 1948 1 4 . 1 1 31 31 SER CA C 31 61.402 61.402 59.339 2.063 25436 1949 1 4 . 1 1 31 31 SER CB C 31 61.541 61.541 62.773 -1.232 25436 1950 1 4 . 1 1 31 31 SER H H 31 8.686 8.686 8.270 0.416 25436 1951 1 4 . 1 1 32 32 ASP N N 32 122.114 122.114 122.150 -0.036 25436 1952 1 4 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.728 -0.204 25436 1953 1 4 . 1 1 32 32 ASP C C 32 178.193 178.193 178.488 -0.295 25436 1954 1 4 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.384 0.811 25436 1955 1 4 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.698 0.115 25436 1956 1 4 . 1 1 32 32 ASP H H 32 7.147 7.147 7.916 -0.769 25436 1957 1 4 . 1 1 33 33 VAL N N 33 120.064 120.064 120.759 -0.695 25436 1958 1 4 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.917 -0.449 25436 1959 1 4 . 1 1 33 33 VAL C C 33 178.623 178.623 177.195 1.428 25436 1960 1 4 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.053 1.284 25436 1961 1 4 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.543 -0.247 25436 1962 1 4 . 1 1 33 33 VAL H H 33 7.939 7.939 8.133 -0.194 25436 1963 1 4 . 1 1 34 34 GLU N N 34 118.713 118.713 116.177 2.536 25436 1964 1 4 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.179 -0.420 25436 1965 1 4 . 1 1 34 34 GLU C C 34 178.700 178.700 176.195 2.505 25436 1966 1 4 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.457 3.046 25436 1967 1 4 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.018 0.312 25436 1968 1 4 . 1 1 34 34 GLU H H 34 8.641 8.641 8.005 0.636 25436 1969 1 4 . 1 1 35 35 ALA N N 35 121.519 121.519 120.267 1.252 25436 1970 1 4 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.550 -0.400 25436 1971 1 4 . 1 1 35 35 ALA C C 35 180.482 180.482 178.136 2.346 25436 1972 1 4 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.779 2.763 25436 1973 1 4 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.213 -2.156 25436 1974 1 4 . 1 1 35 35 ALA H H 35 7.818 7.818 7.638 0.180 25436 1975 1 4 . 1 1 36 36 ILE N N 36 117.410 117.410 117.928 -0.518 25436 1976 1 4 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.160 -0.492 25436 1977 1 4 . 1 1 36 36 ILE C C 36 178.664 178.664 176.313 2.351 25436 1978 1 4 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.778 2.012 25436 1979 1 4 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.491 0.294 25436 1980 1 4 . 1 1 36 36 ILE H H 36 7.778 7.778 7.603 0.175 25436 1981 1 4 . 1 1 37 37 PHE N N 37 113.502 113.502 117.136 -3.634 25436 1982 1 4 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.862 -0.499 25436 1983 1 4 . 1 1 37 37 PHE C C 37 179.622 179.622 177.263 2.359 25436 1984 1 4 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.622 4.081 25436 1985 1 4 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.691 -3.507 25436 1986 1 4 . 1 1 37 37 PHE H H 37 8.587 8.587 7.832 0.755 25436 1987 1 4 . 1 1 38 38 SER N N 38 122.010 122.010 115.590 6.420 25436 1988 1 4 . 1 1 38 38 SER HA H 38 4.819 4.819 4.730 0.089 25436 1989 1 4 . 1 1 38 38 SER C C 38 175.438 175.438 175.486 -0.048 25436 1990 1 4 . 1 1 38 38 SER CA C 38 61.462 61.462 59.669 1.792 25436 1991 1 4 . 1 1 38 38 SER CB C 38 62.737 62.737 62.859 -0.122 25436 1992 1 4 . 1 1 38 38 SER H H 38 8.827 8.827 8.667 0.160 25436 1993 1 4 . 1 1 39 39 LYS N N 39 119.345 119.345 117.649 1.696 25436 1994 1 4 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.171 -0.204 25436 1995 1 4 . 1 1 39 39 LYS C C 39 177.063 177.063 176.421 0.642 25436 1996 1 4 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.623 0.636 25436 1997 1 4 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.844 -0.282 25436 1998 1 4 . 1 1 39 39 LYS H H 39 7.057 7.057 8.077 -1.020 25436 1999 1 4 . 1 1 40 40 TYR N N 40 114.420 114.420 119.037 -4.617 25436 2000 1 4 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.581 -0.300 25436 2001 1 4 . 1 1 40 40 TYR C C 40 174.841 174.841 174.376 0.465 25436 2002 1 4 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.394 1.462 25436 2003 1 4 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.294 -1.933 25436 2004 1 4 . 1 1 40 40 TYR H H 40 6.956 6.956 7.560 -0.604 25436 2005 1 4 . 1 1 41 41 GLY N N 41 106.506 106.506 105.316 1.190 25436 2006 1 4 . 1 1 41 41 GLY C C 41 170.572 170.572 172.159 -1.587 25436 2007 1 4 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.347 -0.776 25436 2008 1 4 . 1 1 41 41 GLY H H 41 7.430 7.430 7.417 0.013 25436 2009 1 4 . 1 1 42 42 LYS N N 42 117.771 117.771 121.282 -3.511 25436 2010 1 4 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.592 -0.391 25436 2011 1 4 . 1 1 42 42 LYS C C 42 176.535 176.535 176.281 0.254 25436 2012 1 4 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.596 2.535 25436 2013 1 4 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.682 0.274 25436 2014 1 4 . 1 1 42 42 LYS H H 42 8.037 8.037 8.267 -0.230 25436 2015 1 4 . 1 1 43 43 ILE N N 43 127.134 127.134 127.132 0.002 25436 2016 1 4 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.333 -0.307 25436 2017 1 4 . 1 1 43 43 ILE C C 43 176.992 176.992 176.010 0.982 25436 2018 1 4 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.910 -0.514 25436 2019 1 4 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.543 0.324 25436 2020 1 4 . 1 1 43 43 ILE H H 43 8.720 8.720 8.525 0.195 25436 2021 1 4 . 1 1 44 44 VAL N N 44 121.988 121.988 119.743 2.245 25436 2022 1 4 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.541 -0.173 25436 2023 1 4 . 1 1 44 44 VAL C C 44 176.854 176.854 175.300 1.554 25436 2024 1 4 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.735 1.150 25436 2025 1 4 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.984 -0.512 25436 2026 1 4 . 1 1 44 44 VAL H H 44 8.707 8.707 8.862 -0.155 25436 2027 1 4 . 1 1 45 45 GLY N N 45 109.497 109.497 107.963 1.534 25436 2028 1 4 . 1 1 45 45 GLY C C 45 171.265 171.265 172.112 -0.847 25436 2029 1 4 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.813 -0.797 25436 2030 1 4 . 1 1 45 45 GLY H H 45 7.541 7.541 7.622 -0.081 25436 2031 1 4 . 1 1 46 46 CYS N N 46 124.565 124.565 117.033 7.532 25436 2032 1 4 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.346 -0.335 25436 2033 1 4 . 1 1 46 46 CYS C C 46 172.072 172.072 172.308 -0.236 25436 2034 1 4 . 1 1 46 46 CYS CA C 46 57.984 57.984 56.830 1.154 25436 2035 1 4 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.534 -3.205 25436 2036 1 4 . 1 1 46 46 CYS H H 46 8.983 8.983 9.096 -0.113 25436 2037 1 4 . 1 1 47 47 SER N N 47 122.911 122.911 114.995 7.916 25436 2038 1 4 . 1 1 47 47 SER HA H 47 4.906 4.906 4.862 0.044 25436 2039 1 4 . 1 1 47 47 SER C C 47 171.848 171.848 172.138 -0.290 25436 2040 1 4 . 1 1 47 47 SER CA C 47 56.487 56.487 57.177 -0.690 25436 2041 1 4 . 1 1 47 47 SER CB C 47 65.679 65.679 65.409 0.270 25436 2042 1 4 . 1 1 47 47 SER H H 47 8.568 8.568 8.998 -0.430 25436 2043 1 4 . 1 1 48 48 VAL N N 48 121.488 121.488 122.042 -0.554 25436 2044 1 4 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.227 -0.085 25436 2045 1 4 . 1 1 48 48 VAL C C 48 173.990 173.990 174.373 -0.383 25436 2046 1 4 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.258 0.990 25436 2047 1 4 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.874 -1.007 25436 2048 1 4 . 1 1 48 48 VAL H H 48 8.588 8.588 8.239 0.349 25436 2049 1 4 . 1 1 49 49 HIS N N 49 130.227 130.227 123.016 7.211 25436 2050 1 4 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.688 -0.279 25436 2051 1 4 . 1 1 49 49 HIS C C 49 173.949 173.949 173.514 0.435 25436 2052 1 4 . 1 1 49 49 HIS CA C 49 54.666 54.666 53.949 0.717 25436 2053 1 4 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.502 -1.384 25436 2054 1 4 . 1 1 49 49 HIS H H 49 8.380 8.380 8.688 -0.308 25436 2055 1 4 . 1 1 50 50 LYS N N 50 121.171 121.171 119.873 1.298 25436 2056 1 4 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.966 0.468 25436 2057 1 4 . 1 1 50 50 LYS C C 50 175.527 175.527 177.524 -1.997 25436 2058 1 4 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.187 -0.269 25436 2059 1 4 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.020 -1.599 25436 2060 1 4 . 1 1 50 50 LYS H H 50 7.717 7.717 8.126 -0.409 25436 2061 1 4 . 1 1 51 51 GLY N N 51 113.993 113.993 112.031 1.962 25436 2062 1 4 . 1 1 51 51 GLY C C 51 174.252 174.252 172.937 1.315 25436 2063 1 4 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.500 -1.093 25436 2064 1 4 . 1 1 51 51 GLY H H 51 9.404 9.404 8.835 0.569 25436 2065 1 4 . 1 1 52 52 PHE N N 52 112.326 112.326 114.854 -2.528 25436 2066 1 4 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.689 -0.397 25436 2067 1 4 . 1 1 52 52 PHE C C 52 171.605 171.605 173.021 -1.416 25436 2068 1 4 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.141 1.113 25436 2069 1 4 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.657 -0.616 25436 2070 1 4 . 1 1 52 52 PHE H H 52 7.006 7.006 7.070 -0.064 25436 2071 1 4 . 1 1 53 53 ALA N N 53 119.722 119.722 119.253 0.469 25436 2072 1 4 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.810 -0.002 25436 2073 1 4 . 1 1 53 53 ALA C C 53 173.029 173.029 174.496 -1.467 25436 2074 1 4 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.079 -0.783 25436 2075 1 4 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.479 2.320 25436 2076 1 4 . 1 1 53 53 ALA H H 53 8.677 8.677 8.415 0.262 25436 2077 1 4 . 1 1 54 54 PHE N N 54 112.104 112.104 116.553 -4.449 25436 2078 1 4 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.596 -0.016 25436 2079 1 4 . 1 1 54 54 PHE C C 54 175.794 175.794 174.270 1.524 25436 2080 1 4 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.899 -0.185 25436 2081 1 4 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.400 -0.114 25436 2082 1 4 . 1 1 54 54 PHE H H 54 8.797 8.797 9.050 -0.253 25436 2083 1 4 . 1 1 55 55 VAL N N 55 118.542 118.542 121.202 -2.660 25436 2084 1 4 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.437 -0.224 25436 2085 1 4 . 1 1 55 55 VAL C C 55 172.806 172.806 173.791 -0.985 25436 2086 1 4 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.206 0.722 25436 2087 1 4 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.733 -0.813 25436 2088 1 4 . 1 1 55 55 VAL H H 55 8.295 8.295 8.633 -0.338 25436 2089 1 4 . 1 1 56 56 GLN N N 56 128.473 128.473 124.932 3.541 25436 2090 1 4 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.793 -0.223 25436 2091 1 4 . 1 1 56 56 GLN C C 56 173.893 173.893 174.347 -0.454 25436 2092 1 4 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.978 0.286 25436 2093 1 4 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.765 1.305 25436 2094 1 4 . 1 1 56 56 GLN H H 56 9.263 9.263 8.960 0.303 25436 2095 1 4 . 1 1 57 57 TYR N N 57 127.679 127.679 125.287 2.392 25436 2096 1 4 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.196 0.091 25436 2097 1 4 . 1 1 57 57 TYR C C 57 175.609 175.609 177.185 -1.576 25436 2098 1 4 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.504 1.165 25436 2099 1 4 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.057 -0.023 25436 2100 1 4 . 1 1 57 57 TYR H H 57 8.928 8.928 9.017 -0.089 25436 2101 1 4 . 1 1 58 58 VAL N N 58 116.710 116.710 118.028 -1.318 25436 2102 1 4 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.905 0.210 25436 2103 1 4 . 1 1 58 58 VAL C C 58 175.859 175.859 175.452 0.407 25436 2104 1 4 . 1 1 58 58 VAL CA C 58 64.058 64.058 63.998 0.060 25436 2105 1 4 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.144 0.869 25436 2106 1 4 . 1 1 58 58 VAL H H 58 9.479 9.479 8.654 0.825 25436 2107 1 4 . 1 1 59 59 ASN N N 59 112.455 112.455 113.774 -1.319 25436 2108 1 4 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.772 0.387 25436 2109 1 4 . 1 1 59 59 ASN C C 59 174.482 174.482 175.135 -0.653 25436 2110 1 4 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.892 0.049 25436 2111 1 4 . 1 1 59 59 ASN CB C 59 42.192 42.192 39.723 2.469 25436 2112 1 4 . 1 1 59 59 ASN H H 59 7.218 7.218 7.557 -0.339 25436 2113 1 4 . 1 1 60 60 GLU N N 60 124.337 124.337 121.189 3.148 25436 2114 1 4 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.303 0.016 25436 2115 1 4 . 1 1 60 60 GLU C C 60 178.201 178.201 178.110 0.091 25436 2116 1 4 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.415 -0.675 25436 2117 1 4 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.949 0.408 25436 2118 1 4 . 1 1 60 60 GLU H H 60 8.808 8.808 8.970 -0.162 25436 2119 1 4 . 1 1 61 61 ARG N N 61 118.265 118.265 119.828 -1.563 25436 2120 1 4 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.038 -0.041 25436 2121 1 4 . 1 1 61 61 ARG C C 61 179.340 179.340 178.596 0.744 25436 2122 1 4 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.570 0.909 25436 2123 1 4 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.344 0.010 25436 2124 1 4 . 1 1 61 61 ARG H H 61 8.630 8.630 7.813 0.817 25436 2125 1 4 . 1 1 62 62 ASN N N 62 118.081 118.081 118.014 0.067 25436 2126 1 4 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.272 0.008 25436 2127 1 4 . 1 1 62 62 ASN C C 62 174.851 174.851 176.786 -1.935 25436 2128 1 4 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.206 0.246 25436 2129 1 4 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.308 0.710 25436 2130 1 4 . 1 1 62 62 ASN H H 62 7.785 7.785 8.941 -1.156 25436 2131 1 4 . 1 1 63 63 ALA N N 63 119.543 119.543 123.130 -3.587 25436 2132 1 4 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.442 -0.686 25436 2133 1 4 . 1 1 63 63 ALA C C 63 178.861 178.861 179.410 -0.549 25436 2134 1 4 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.151 -0.191 25436 2135 1 4 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.785 -0.245 25436 2136 1 4 . 1 1 63 63 ALA H H 63 6.779 6.779 7.440 -0.661 25436 2137 1 4 . 1 1 64 64 ARG N N 64 114.965 114.965 118.187 -3.222 25436 2138 1 4 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.122 -0.280 25436 2139 1 4 . 1 1 64 64 ARG C C 64 179.775 179.775 178.598 1.177 25436 2140 1 4 . 1 1 64 64 ARG CA C 64 60.190 60.190 58.747 1.443 25436 2141 1 4 . 1 1 64 64 ARG CB C 64 29.313 29.313 30.154 -0.841 25436 2142 1 4 . 1 1 64 64 ARG H H 64 8.755 8.755 8.077 0.678 25436 2143 1 4 . 1 1 65 65 ALA N N 65 123.704 123.704 122.289 1.415 25436 2144 1 4 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.035 0.095 25436 2145 1 4 . 1 1 65 65 ALA C C 65 179.560 179.560 178.255 1.305 25436 2146 1 4 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.760 0.219 25436 2147 1 4 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.259 -0.367 25436 2148 1 4 . 1 1 65 65 ALA H H 65 7.823 7.823 7.498 0.325 25436 2149 1 4 . 1 1 66 66 ALA N N 66 123.797 123.797 118.909 4.888 25436 2150 1 4 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.682 -1.606 25436 2151 1 4 . 1 1 66 66 ALA C C 66 179.259 179.259 179.294 -0.035 25436 2152 1 4 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.054 0.234 25436 2153 1 4 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.282 -0.007 25436 2154 1 4 . 1 1 66 66 ALA H H 66 7.545 7.545 7.475 0.070 25436 2155 1 4 . 1 1 67 67 VAL N N 67 116.549 116.549 117.846 -1.297 25436 2156 1 4 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.827 -0.473 25436 2157 1 4 . 1 1 67 67 VAL C C 67 177.744 177.744 176.374 1.370 25436 2158 1 4 . 1 1 67 67 VAL CA C 67 66.533 66.533 65.977 0.556 25436 2159 1 4 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.674 0.295 25436 2160 1 4 . 1 1 67 67 VAL H H 67 7.619 7.619 8.396 -0.777 25436 2161 1 4 . 1 1 68 68 ALA N N 68 118.193 118.193 119.656 -1.463 25436 2162 1 4 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.424 -0.297 25436 2163 1 4 . 1 1 68 68 ALA C C 68 180.748 180.748 177.897 2.851 25436 2164 1 4 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.750 1.611 25436 2165 1 4 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.309 -1.181 25436 2166 1 4 . 1 1 68 68 ALA H H 68 7.550 7.550 7.388 0.162 25436 2167 1 4 . 1 1 69 69 GLY N N 69 103.773 103.773 106.519 -2.746 25436 2168 1 4 . 1 1 69 69 GLY C C 69 175.626 175.626 175.419 0.207 25436 2169 1 4 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.483 0.643 25436 2170 1 4 . 1 1 69 69 GLY H H 69 8.140 8.140 7.331 0.809 25436 2171 1 4 . 1 1 70 70 GLU N N 70 114.547 114.547 117.538 -2.991 25436 2172 1 4 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.452 0.184 25436 2173 1 4 . 1 1 70 70 GLU C C 70 176.391 176.391 175.176 1.215 25436 2174 1 4 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.785 -0.626 25436 2175 1 4 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.573 -0.308 25436 2176 1 4 . 1 1 70 70 GLU H H 70 7.654 7.654 7.796 -0.142 25436 2177 1 4 . 1 1 71 71 ASP N N 71 118.202 118.202 120.417 -2.215 25436 2178 1 4 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.322 -0.035 25436 2179 1 4 . 1 1 71 71 ASP C C 71 178.698 178.698 177.778 0.920 25436 2180 1 4 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.140 1.391 25436 2181 1 4 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.983 0.387 25436 2182 1 4 . 1 1 71 71 ASP H H 71 8.020 8.020 7.537 0.483 25436 2183 1 4 . 1 1 72 72 GLY N N 72 114.301 114.301 114.512 -0.211 25436 2184 1 4 . 1 1 72 72 GLY C C 72 173.791 173.791 173.632 0.159 25436 2185 1 4 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.199 0.560 25436 2186 1 4 . 1 1 72 72 GLY H H 72 8.305 8.305 8.428 -0.123 25436 2187 1 4 . 1 1 73 73 ARG N N 73 121.994 121.994 118.488 3.506 25436 2188 1 4 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.535 -0.340 25436 2189 1 4 . 1 1 73 73 ARG C C 73 175.187 175.187 175.072 0.115 25436 2190 1 4 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.777 1.725 25436 2191 1 4 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.815 -0.563 25436 2192 1 4 . 1 1 73 73 ARG H H 73 7.980 7.980 7.752 0.228 25436 2193 1 4 . 1 1 74 74 MET N N 74 125.081 125.081 121.935 3.146 25436 2194 1 4 . 1 1 74 74 MET HA H 74 4.823 4.823 5.067 -0.244 25436 2195 1 4 . 1 1 74 74 MET C C 74 175.726 175.726 175.108 0.618 25436 2196 1 4 . 1 1 74 74 MET CA C 74 55.029 55.029 55.255 -0.226 25436 2197 1 4 . 1 1 74 74 MET CB C 74 33.092 33.092 34.691 -1.599 25436 2198 1 4 . 1 1 74 74 MET H H 74 8.712 8.712 8.435 0.277 25436 2199 1 4 . 1 1 75 75 ILE N N 75 127.490 127.490 125.530 1.960 25436 2200 1 4 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.478 -0.096 25436 2201 1 4 . 1 1 75 75 ILE C C 75 175.276 175.276 175.519 -0.243 25436 2202 1 4 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.861 -1.057 25436 2203 1 4 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.109 -0.713 25436 2204 1 4 . 1 1 75 75 ILE H H 75 8.589 8.589 8.951 -0.362 25436 2205 1 4 . 1 1 76 76 ALA N N 76 132.147 132.147 127.665 4.482 25436 2206 1 4 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.038 0.000 25436 2207 1 4 . 1 1 76 76 ALA C C 76 177.205 177.205 177.712 -0.507 25436 2208 1 4 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.081 -1.147 25436 2209 1 4 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.017 0.131 25436 2210 1 4 . 1 1 76 76 ALA H H 76 9.547 9.547 8.964 0.583 25436 2211 1 4 . 1 1 77 77 GLY N N 77 101.695 101.695 101.801 -0.106 25436 2212 1 4 . 1 1 77 77 GLY C C 77 174.205 174.205 174.141 0.064 25436 2213 1 4 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.928 0.835 25436 2214 1 4 . 1 1 77 77 GLY H H 77 8.445 8.445 8.327 0.118 25436 2215 1 4 . 1 1 78 78 GLN N N 78 119.020 119.020 118.675 0.345 25436 2216 1 4 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.719 0.010 25436 2217 1 4 . 1 1 78 78 GLN C C 78 174.046 174.046 174.222 -0.176 25436 2218 1 4 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.154 0.041 25436 2219 1 4 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.953 -1.063 25436 2220 1 4 . 1 1 78 78 GLN H H 78 7.720 7.720 7.881 -0.161 25436 2221 1 4 . 1 1 79 79 VAL N N 79 123.374 123.374 121.443 1.931 25436 2222 1 4 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.961 -0.949 25436 2223 1 4 . 1 1 79 79 VAL C C 79 176.347 176.347 175.662 0.685 25436 2224 1 4 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.267 1.388 25436 2225 1 4 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.009 -0.925 25436 2226 1 4 . 1 1 79 79 VAL H H 79 8.532 8.532 8.397 0.135 25436 2227 1 4 . 1 1 80 80 LEU N N 80 128.569 128.569 122.566 6.003 25436 2228 1 4 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.902 -0.615 25436 2229 1 4 . 1 1 80 80 LEU C C 80 176.521 176.521 175.326 1.195 25436 2230 1 4 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.155 3.908 25436 2231 1 4 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.102 -0.282 25436 2232 1 4 . 1 1 80 80 LEU H H 80 9.014 9.014 8.183 0.831 25436 2233 1 4 . 1 1 81 81 ASP N N 81 124.359 124.359 122.603 1.756 25436 2234 1 4 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.130 0.095 25436 2235 1 4 . 1 1 81 81 ASP C C 81 174.659 174.659 175.354 -0.695 25436 2236 1 4 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.811 0.144 25436 2237 1 4 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.462 1.210 25436 2238 1 4 . 1 1 81 81 ASP H H 81 7.850 7.850 8.437 -0.587 25436 2239 1 4 . 1 1 82 82 ILE N N 82 123.155 123.155 126.418 -3.263 25436 2240 1 4 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.884 0.518 25436 2241 1 4 . 1 1 82 82 ILE C C 82 174.520 174.520 175.314 -0.794 25436 2242 1 4 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.309 -1.077 25436 2243 1 4 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.532 1.431 25436 2244 1 4 . 1 1 82 82 ILE H H 82 9.086 9.086 8.512 0.574 25436 2245 1 4 . 1 1 83 83 ASN N N 83 116.417 116.417 122.487 -6.070 25436 2246 1 4 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.956 -0.109 25436 2247 1 4 . 1 1 83 83 ASN C C 83 174.565 174.565 173.689 0.876 25436 2248 1 4 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.122 0.926 25436 2249 1 4 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.330 0.780 25436 2250 1 4 . 1 1 83 83 ASN H H 83 8.495 8.495 8.544 -0.049 25436 2251 1 4 . 1 1 84 84 LEU N N 84 123.786 123.786 122.745 1.041 25436 2252 1 4 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.379 0.343 25436 2253 1 4 . 1 1 84 84 LEU C C 84 180.968 180.968 178.529 2.439 25436 2254 1 4 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.059 0.240 25436 2255 1 4 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.565 -1.249 25436 2256 1 4 . 1 1 84 84 LEU H H 84 9.427 9.427 8.868 0.559 25436 2257 1 4 . 1 1 85 85 ALA N N 85 127.571 127.571 127.482 0.089 25436 2258 1 4 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.357 -0.309 25436 2259 1 4 . 1 1 85 85 ALA C C 85 177.931 177.931 176.631 1.300 25436 2260 1 4 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.150 2.146 25436 2261 1 4 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.116 -1.163 25436 2262 1 4 . 1 1 85 85 ALA H H 85 9.295 9.295 8.327 0.968 25436 2263 1 4 . 1 1 86 86 ALA N N 86 115.985 115.985 118.273 -2.288 25436 2264 1 4 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.419 -0.008 25436 2265 1 4 . 1 1 86 86 ALA C C 86 176.152 176.152 176.668 -0.516 25436 2266 1 4 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.996 -0.224 25436 2267 1 4 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.290 0.035 25436 2268 1 4 . 1 1 86 86 ALA H H 86 8.657 8.657 8.152 0.505 25436 2269 1 4 . 1 1 87 87 GLU N N 87 118.975 118.975 119.495 -0.520 25436 2270 1 4 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.623 0.112 25436 2271 1 4 . 1 1 87 87 GLU C C 87 171.676 171.676 173.995 -2.319 25436 2272 1 4 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.317 -0.169 25436 2273 1 4 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.003 -0.087 25436 2274 1 4 . 1 1 87 87 GLU H H 87 7.913 7.913 7.698 0.215 25436 2275 1 4 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.488 -0.141 25436 2276 1 4 . 1 1 88 88 PRO C C 88 177.303 177.303 176.770 0.533 25436 2277 1 4 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.358 -0.480 25436 2278 1 4 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.436 -0.534 25436 2279 1 4 . 1 1 89 89 LYS N N 89 121.335 121.335 120.614 0.721 25436 2280 1 4 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.540 -0.300 25436 2281 1 4 . 1 1 89 89 LYS C C 89 177.689 177.689 176.064 1.625 25436 2282 1 4 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.002 0.749 25436 2283 1 4 . 1 1 89 89 LYS CB C 89 33.436 33.436 32.921 0.515 25436 2284 1 4 . 1 1 89 89 LYS H H 89 8.020 8.020 8.468 -0.448 25436 2285 1 4 . 1 1 90 90 VAL N N 90 120.786 120.786 120.952 -0.166 25436 2286 1 4 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.280 -0.358 25436 2287 1 4 . 1 1 90 90 VAL C C 90 176.169 176.169 175.721 0.448 25436 2288 1 4 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.766 2.532 25436 2289 1 4 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.856 -1.589 25436 2290 1 4 . 1 1 90 90 VAL H H 90 8.232 8.232 7.614 0.618 25436 2291 1 4 . 1 1 91 91 ASN N N 91 119.214 119.214 121.723 -2.509 25436 2292 1 4 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.725 -0.066 25436 2293 1 4 . 1 1 91 91 ASN C C 91 175.172 175.172 175.131 0.041 25436 2294 1 4 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.433 -0.405 25436 2295 1 4 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.483 -0.314 25436 2296 1 4 . 1 1 91 91 ASN H H 91 8.453 8.453 8.685 -0.232 25436 2297 1 4 . 1 1 92 92 ARG N N 92 120.709 120.709 116.101 4.608 25436 2298 1 4 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.062 0.192 25436 2299 1 4 . 1 1 92 92 ARG C C 92 176.991 176.991 175.836 1.155 25436 2300 1 4 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.428 0.071 25436 2301 1 4 . 1 1 92 92 ARG CB C 92 30.607 30.607 27.895 2.712 25436 2302 1 4 . 1 1 92 92 ARG H H 92 7.925 7.925 8.327 -0.402 25436 2303 1 4 . 1 1 93 93 GLY N N 93 110.299 110.299 104.997 5.302 25436 2304 1 4 . 1 1 93 93 GLY C C 93 174.245 174.245 175.298 -1.053 25436 2305 1 4 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.885 0.531 25436 2306 1 4 . 1 1 93 93 GLY H H 93 8.593 8.593 8.335 0.258 25436 2307 1 4 . 1 1 94 94 LYS N N 94 120.781 120.781 116.811 3.970 25436 2308 1 4 . 1 1 94 94 LYS HA H 94 4.294 4.294 4.018 0.276 25436 2309 1 4 . 1 1 94 94 LYS C C 94 176.524 176.524 175.466 1.058 25436 2310 1 4 . 1 1 94 94 LYS CA C 94 56.107 56.107 58.060 -1.953 25436 2311 1 4 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.372 1.768 25436 2312 1 4 . 1 1 94 94 LYS H H 94 8.126 8.126 8.370 -0.244 25436 2313 1 4 . 1 1 95 95 ALA N N 95 125.012 125.012 118.161 6.851 25436 2314 1 4 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.557 -0.258 25436 2315 1 4 . 1 1 95 95 ALA C C 95 178.324 178.324 177.348 0.976 25436 2316 1 4 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.981 0.820 25436 2317 1 4 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.184 -1.006 25436 2318 1 4 . 1 1 95 95 ALA H H 95 8.435 8.435 7.715 0.720 25436 2319 1 4 . 1 1 96 96 GLY N N 96 108.312 108.312 106.065 2.247 25436 2320 1 4 . 1 1 96 96 GLY C C 96 174.095 174.095 174.561 -0.466 25436 2321 1 4 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.337 -1.055 25436 2322 1 4 . 1 1 96 96 GLY H H 96 8.414 8.414 8.671 -0.257 25436 2323 1 4 . 1 1 97 97 VAL N N 97 119.818 119.818 117.413 2.405 25436 2324 1 4 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.127 -0.055 25436 2325 1 4 . 1 1 97 97 VAL C C 97 176.155 176.155 176.067 0.088 25436 2326 1 4 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.215 -0.871 25436 2327 1 4 . 1 1 97 97 VAL CB C 97 32.757 32.757 32.792 -0.035 25436 2328 1 4 . 1 1 97 97 VAL H H 97 7.919 7.919 7.953 -0.034 25436 2329 1 4 . 1 1 98 98 LYS N N 98 125.912 125.912 119.605 6.307 25436 2330 1 4 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.661 -0.328 25436 2331 1 4 . 1 1 98 98 LYS C C 98 176.426 176.426 175.473 0.953 25436 2332 1 4 . 1 1 98 98 LYS CA C 98 56.169 56.169 54.948 1.221 25436 2333 1 4 . 1 1 98 98 LYS CB C 98 33.048 33.048 34.897 -1.849 25436 2334 1 4 . 1 1 98 98 LYS H H 98 8.466 8.466 7.743 0.723 25436 2335 1 4 . 1 1 99 99 ARG N N 99 123.544 123.544 120.134 3.410 25436 2336 1 4 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.426 -0.057 25436 2337 1 4 . 1 1 99 99 ARG C C 99 176.230 176.230 176.424 -0.194 25436 2338 1 4 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.778 0.216 25436 2339 1 4 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.320 -0.156 25436 2340 1 4 . 1 1 99 99 ARG H H 99 8.468 8.468 8.495 -0.027 25436 2341 1 4 . 1 1 100 100 SER N N 100 117.781 117.781 115.950 1.831 25436 2342 1 4 . 1 1 100 100 SER HA H 100 4.452 4.452 4.508 -0.056 25436 2343 1 4 . 1 1 100 100 SER C C 100 174.555 174.555 175.768 -1.213 25436 2344 1 4 . 1 1 100 100 SER CA C 100 58.036 58.036 57.678 0.358 25436 2345 1 4 . 1 1 100 100 SER CB C 100 64.139 64.139 64.163 -0.024 25436 2346 1 4 . 1 1 100 100 SER H H 100 8.507 8.507 8.649 -0.142 25436 2347 1 4 . 1 1 101 101 ALA N N 101 126.090 126.090 125.052 1.038 25436 2348 1 4 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.114 0.156 25436 2349 1 4 . 1 1 101 101 ALA C C 101 178.046 178.046 177.897 0.149 25436 2350 1 4 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.983 -0.713 25436 2351 1 4 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.123 0.909 25436 2352 1 4 . 1 1 101 101 ALA H H 101 8.529 8.529 8.725 -0.196 25436 2353 1 4 . 1 1 102 102 ALA N N 102 121.750 121.750 119.475 2.275 25436 2354 1 4 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.534 -0.307 25436 2355 1 4 . 1 1 102 102 ALA C C 102 178.253 178.253 177.964 0.289 25436 2356 1 4 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.835 0.160 25436 2357 1 4 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.557 -0.479 25436 2358 1 4 . 1 1 102 102 ALA H H 102 8.219 8.219 7.890 0.329 25436 2359 1 4 . 1 1 103 103 GLU N N 103 118.819 118.819 117.154 1.665 25436 2360 1 4 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.532 -0.330 25436 2361 1 4 . 1 1 103 103 GLU C C 103 176.515 176.515 177.408 -0.893 25436 2362 1 4 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.988 0.681 25436 2363 1 4 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.346 -0.184 25436 2364 1 4 . 1 1 103 103 GLU H H 103 8.100 8.100 7.733 0.367 25436 2365 1 4 . 1 1 104 104 MET N N 104 120.178 120.178 120.190 -0.012 25436 2366 1 4 . 1 1 104 104 MET HA H 104 4.332 4.332 4.002 0.330 25436 2367 1 4 . 1 1 104 104 MET C C 104 175.861 175.861 175.933 -0.072 25436 2368 1 4 . 1 1 104 104 MET CA C 104 55.869 55.869 57.595 -1.726 25436 2369 1 4 . 1 1 104 104 MET CB C 104 32.993 32.993 32.134 0.859 25436 2370 1 4 . 1 1 104 104 MET H H 104 8.086 8.086 8.012 0.074 25436 2371 1 4 . 1 1 105 105 TYR N N 105 120.369 120.369 115.180 5.189 25436 2372 1 4 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.687 -0.035 25436 2373 1 4 . 1 1 105 105 TYR C C 105 175.318 175.318 176.850 -1.532 25436 2374 1 4 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.558 0.027 25436 2375 1 4 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.461 0.430 25436 2376 1 4 . 1 1 105 105 TYR H H 105 8.137 8.137 7.606 0.531 25436 2377 1 5 . 1 1 3 3 SER HA H 3 4.564 4.564 4.426 0.138 25436 2378 1 5 . 1 1 3 3 SER C C 3 173.407 173.407 174.703 -1.296 25436 2379 1 5 . 1 1 3 3 SER CA C 3 58.309 58.309 57.796 0.513 25436 2380 1 5 . 1 1 3 3 SER CB C 3 63.980 63.980 63.695 0.285 25436 2381 1 5 . 1 1 4 4 ASN N N 4 120.204 120.204 118.938 1.266 25436 2382 1 5 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.091 0.126 25436 2383 1 5 . 1 1 4 4 ASN C C 4 176.242 176.242 173.978 2.264 25436 2384 1 5 . 1 1 4 4 ASN CA C 4 53.035 53.035 51.780 1.255 25436 2385 1 5 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.323 0.392 25436 2386 1 5 . 1 1 4 4 ASN H H 4 8.783 8.783 8.597 0.186 25436 2387 1 5 . 1 1 5 5 VAL N N 5 122.598 122.598 120.910 1.688 25436 2388 1 5 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.308 -0.538 25436 2389 1 5 . 1 1 5 5 VAL C C 5 177.222 177.222 175.366 1.856 25436 2390 1 5 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.607 4.199 25436 2391 1 5 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.446 -2.591 25436 2392 1 5 . 1 1 5 5 VAL H H 5 8.326 8.326 7.710 0.616 25436 2393 1 5 . 1 1 6 6 THR N N 6 118.450 118.450 115.709 2.741 25436 2394 1 5 . 1 1 6 6 THR HA H 6 4.682 4.682 4.535 0.147 25436 2395 1 5 . 1 1 6 6 THR C C 6 174.349 174.349 173.165 1.184 25436 2396 1 5 . 1 1 6 6 THR CA C 6 60.542 60.542 61.500 -0.958 25436 2397 1 5 . 1 1 6 6 THR CB C 6 69.771 69.771 69.355 0.417 25436 2398 1 5 . 1 1 6 6 THR H H 6 9.391 9.391 8.448 0.943 25436 2399 1 5 . 1 1 7 7 ASN N N 7 120.847 120.847 119.572 1.275 25436 2400 1 5 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.598 -0.043 25436 2401 1 5 . 1 1 7 7 ASN C C 7 176.863 176.863 175.150 1.713 25436 2402 1 5 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.781 -0.872 25436 2403 1 5 . 1 1 7 7 ASN CB C 7 38.059 38.059 38.443 -0.384 25436 2404 1 5 . 1 1 7 7 ASN H H 7 7.970 7.970 7.903 0.067 25436 2405 1 5 . 1 1 8 8 LYS N N 8 121.736 121.736 119.890 1.846 25436 2406 1 5 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.366 -0.112 25436 2407 1 5 . 1 1 8 8 LYS C C 8 180.141 180.141 177.299 2.842 25436 2408 1 5 . 1 1 8 8 LYS CA C 8 58.221 58.221 55.742 2.479 25436 2409 1 5 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.995 -0.705 25436 2410 1 5 . 1 1 8 8 LYS H H 8 8.577 8.577 8.203 0.374 25436 2411 1 5 . 1 1 9 9 THR N N 9 110.800 110.800 109.941 0.859 25436 2412 1 5 . 1 1 9 9 THR HA H 9 4.467 4.467 4.377 0.090 25436 2413 1 5 . 1 1 9 9 THR C C 9 174.484 174.484 173.519 0.965 25436 2414 1 5 . 1 1 9 9 THR CA C 9 61.242 61.242 61.067 0.175 25436 2415 1 5 . 1 1 9 9 THR CB C 9 69.009 69.009 69.430 -0.421 25436 2416 1 5 . 1 1 9 9 THR H H 9 8.695 8.695 8.273 0.422 25436 2417 1 5 . 1 1 10 10 ASP N N 10 120.937 120.937 123.501 -2.564 25436 2418 1 5 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.780 0.043 25436 2419 1 5 . 1 1 10 10 ASP C C 10 173.945 173.945 176.776 -2.831 25436 2420 1 5 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.197 -0.710 25436 2421 1 5 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.513 -1.963 25436 2422 1 5 . 1 1 10 10 ASP H H 10 7.908 7.908 7.975 -0.067 25436 2423 1 5 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.407 -0.257 25436 2424 1 5 . 1 1 11 11 PRO C C 11 178.420 178.420 176.420 2.000 25436 2425 1 5 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.648 1.565 25436 2426 1 5 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.006 0.149 25436 2427 1 5 . 1 1 12 12 ARG N N 12 116.349 116.349 114.090 2.259 25436 2428 1 5 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.834 -0.739 25436 2429 1 5 . 1 1 12 12 ARG C C 12 180.445 180.445 175.917 4.528 25436 2430 1 5 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.184 3.387 25436 2431 1 5 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.610 -0.375 25436 2432 1 5 . 1 1 12 12 ARG H H 12 7.944 7.944 7.949 -0.005 25436 2433 1 5 . 1 1 13 13 SER N N 13 119.401 119.401 114.454 4.947 25436 2434 1 5 . 1 1 13 13 SER HA H 13 4.053 4.053 4.792 -0.739 25436 2435 1 5 . 1 1 13 13 SER C C 13 175.325 175.325 175.619 -0.294 25436 2436 1 5 . 1 1 13 13 SER CA C 13 61.500 61.500 58.394 3.106 25436 2437 1 5 . 1 1 13 13 SER CB C 13 61.798 61.798 64.027 -2.229 25436 2438 1 5 . 1 1 13 13 SER H H 13 8.152 8.152 7.801 0.351 25436 2439 1 5 . 1 1 14 14 MET N N 14 120.254 120.254 118.121 2.133 25436 2440 1 5 . 1 1 14 14 MET HA H 14 4.090 4.090 4.338 -0.248 25436 2441 1 5 . 1 1 14 14 MET C C 14 178.575 178.575 176.006 2.569 25436 2442 1 5 . 1 1 14 14 MET CA C 14 58.317 58.317 57.408 0.909 25436 2443 1 5 . 1 1 14 14 MET CB C 14 31.466 31.466 32.949 -1.483 25436 2444 1 5 . 1 1 14 14 MET H H 14 8.241 8.241 7.909 0.332 25436 2445 1 5 . 1 1 15 15 ASN N N 15 115.299 115.299 112.052 3.247 25436 2446 1 5 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.807 -0.181 25436 2447 1 5 . 1 1 15 15 ASN C C 15 172.554 172.554 175.874 -3.320 25436 2448 1 5 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.242 0.819 25436 2449 1 5 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.068 -0.272 25436 2450 1 5 . 1 1 15 15 ASN H H 15 7.962 7.962 8.259 -0.297 25436 2451 1 5 . 1 1 16 16 SER N N 16 106.079 106.079 113.495 -7.416 25436 2452 1 5 . 1 1 16 16 SER HA H 16 4.500 4.500 4.731 -0.231 25436 2453 1 5 . 1 1 16 16 SER C C 16 172.120 172.120 173.619 -1.499 25436 2454 1 5 . 1 1 16 16 SER CA C 16 56.814 56.814 57.884 -1.070 25436 2455 1 5 . 1 1 16 16 SER CB C 16 63.439 63.439 63.672 -0.233 25436 2456 1 5 . 1 1 16 16 SER H H 16 7.249 7.249 8.318 -1.069 25436 2457 1 5 . 1 1 17 17 ARG N N 17 123.335 123.335 121.852 1.483 25436 2458 1 5 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.178 0.407 25436 2459 1 5 . 1 1 17 17 ARG C C 17 174.490 174.490 174.792 -0.302 25436 2460 1 5 . 1 1 17 17 ARG CA C 17 54.364 54.364 55.004 -0.640 25436 2461 1 5 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.943 -1.085 25436 2462 1 5 . 1 1 17 17 ARG H H 17 7.400 7.400 7.670 -0.270 25436 2463 1 5 . 1 1 18 18 VAL N N 18 122.241 122.241 122.392 -0.151 25436 2464 1 5 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.660 0.057 25436 2465 1 5 . 1 1 18 18 VAL C C 18 174.862 174.862 174.299 0.563 25436 2466 1 5 . 1 1 18 18 VAL CA C 18 60.723 60.723 60.918 -0.195 25436 2467 1 5 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.466 0.815 25436 2468 1 5 . 1 1 18 18 VAL H H 18 9.264 9.264 9.009 0.255 25436 2469 1 5 . 1 1 19 19 PHE N N 19 125.933 125.933 129.518 -3.585 25436 2470 1 5 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.088 0.378 25436 2471 1 5 . 1 1 19 19 PHE C C 19 171.966 171.966 173.347 -1.381 25436 2472 1 5 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.171 1.952 25436 2473 1 5 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.348 -0.403 25436 2474 1 5 . 1 1 19 19 PHE H H 19 9.162 9.162 9.213 -0.051 25436 2475 1 5 . 1 1 20 20 ILE N N 20 126.425 126.425 127.338 -0.913 25436 2476 1 5 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.112 -0.243 25436 2477 1 5 . 1 1 20 20 ILE C C 20 173.048 173.048 174.159 -1.111 25436 2478 1 5 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.040 -0.710 25436 2479 1 5 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.797 0.238 25436 2480 1 5 . 1 1 20 20 ILE H H 20 7.723 7.723 8.099 -0.376 25436 2481 1 5 . 1 1 21 21 GLY N N 21 113.255 113.255 111.310 1.945 25436 2482 1 5 . 1 1 21 21 GLY C C 21 173.768 173.768 174.405 -0.637 25436 2483 1 5 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.062 0.868 25436 2484 1 5 . 1 1 21 21 GLY H H 21 8.498 8.498 8.299 0.199 25436 2485 1 5 . 1 1 22 22 ASN N N 22 116.172 116.172 115.455 0.717 25436 2486 1 5 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.283 0.146 25436 2487 1 5 . 1 1 22 22 ASN C C 22 174.204 174.204 174.673 -0.469 25436 2488 1 5 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.209 -0.691 25436 2489 1 5 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.446 0.329 25436 2490 1 5 . 1 1 22 22 ASN H H 22 7.227 7.227 8.449 -1.222 25436 2491 1 5 . 1 1 23 23 LEU N N 23 119.429 119.429 119.097 0.332 25436 2492 1 5 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.312 -0.369 25436 2493 1 5 . 1 1 23 23 LEU C C 23 176.550 176.550 177.074 -0.524 25436 2494 1 5 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.775 -2.197 25436 2495 1 5 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.307 1.060 25436 2496 1 5 . 1 1 23 23 LEU H H 23 7.110 7.110 7.409 -0.299 25436 2497 1 5 . 1 1 24 24 ASN N N 24 122.292 122.292 122.581 -0.289 25436 2498 1 5 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.492 0.580 25436 2499 1 5 . 1 1 24 24 ASN C C 24 175.830 175.830 175.647 0.183 25436 2500 1 5 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.552 -4.051 25436 2501 1 5 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.273 -2.682 25436 2502 1 5 . 1 1 24 24 ASN H H 24 8.975 8.975 8.937 0.038 25436 2503 1 5 . 1 1 25 25 THR N N 25 118.371 118.371 108.740 9.631 25436 2504 1 5 . 1 1 25 25 THR HA H 25 4.411 4.411 3.927 0.484 25436 2505 1 5 . 1 1 25 25 THR C C 25 175.285 175.285 174.288 0.997 25436 2506 1 5 . 1 1 25 25 THR CA C 25 63.453 63.453 63.959 -0.506 25436 2507 1 5 . 1 1 25 25 THR CB C 25 67.150 67.150 66.962 0.188 25436 2508 1 5 . 1 1 25 25 THR H H 25 8.466 8.466 8.371 0.095 25436 2509 1 5 . 1 1 26 26 LEU N N 26 121.017 121.017 118.253 2.764 25436 2510 1 5 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.459 -0.252 25436 2511 1 5 . 1 1 26 26 LEU C C 26 178.243 178.243 177.670 0.573 25436 2512 1 5 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.331 0.408 25436 2513 1 5 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.564 -1.432 25436 2514 1 5 . 1 1 26 26 LEU H H 26 7.583 7.583 8.096 -0.513 25436 2515 1 5 . 1 1 27 27 VAL N N 27 115.968 115.968 115.833 0.135 25436 2516 1 5 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.204 -0.179 25436 2517 1 5 . 1 1 27 27 VAL C C 27 175.199 175.199 175.624 -0.425 25436 2518 1 5 . 1 1 27 27 VAL CA C 27 63.209 63.209 63.420 -0.212 25436 2519 1 5 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.005 1.177 25436 2520 1 5 . 1 1 27 27 VAL H H 27 6.846 6.846 8.759 -1.913 25436 2521 1 5 . 1 1 28 28 VAL N N 28 121.753 121.753 120.779 0.974 25436 2522 1 5 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.169 -0.302 25436 2523 1 5 . 1 1 28 28 VAL C C 28 174.351 174.351 174.531 -0.180 25436 2524 1 5 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.471 0.709 25436 2525 1 5 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.383 -1.338 25436 2526 1 5 . 1 1 28 28 VAL H H 28 8.389 8.389 7.511 0.878 25436 2527 1 5 . 1 1 29 29 LYS N N 29 124.108 124.108 119.807 4.301 25436 2528 1 5 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.610 0.018 25436 2529 1 5 . 1 1 29 29 LYS C C 29 177.958 177.958 175.993 1.965 25436 2530 1 5 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.702 -1.042 25436 2531 1 5 . 1 1 29 29 LYS CB C 29 34.456 34.456 33.695 0.761 25436 2532 1 5 . 1 1 29 29 LYS H H 29 8.929 8.929 7.924 1.005 25436 2533 1 5 . 1 1 30 30 LYS N N 30 123.352 123.352 121.464 1.888 25436 2534 1 5 . 1 1 30 30 LYS HA H 30 3.663 3.663 4.011 -0.348 25436 2535 1 5 . 1 1 30 30 LYS C C 30 177.638 177.638 178.134 -0.496 25436 2536 1 5 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.176 2.224 25436 2537 1 5 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.157 0.499 25436 2538 1 5 . 1 1 30 30 LYS H H 30 8.994 8.994 8.758 0.236 25436 2539 1 5 . 1 1 31 31 SER N N 31 111.491 111.491 112.715 -1.224 25436 2540 1 5 . 1 1 31 31 SER HA H 31 4.175 4.175 4.347 -0.172 25436 2541 1 5 . 1 1 31 31 SER C C 31 177.616 177.616 174.821 2.795 25436 2542 1 5 . 1 1 31 31 SER CA C 31 61.402 61.402 59.824 1.578 25436 2543 1 5 . 1 1 31 31 SER CB C 31 61.541 61.541 62.984 -1.443 25436 2544 1 5 . 1 1 31 31 SER H H 31 8.686 8.686 8.456 0.230 25436 2545 1 5 . 1 1 32 32 ASP N N 32 122.114 122.114 122.187 -0.073 25436 2546 1 5 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.722 -0.198 25436 2547 1 5 . 1 1 32 32 ASP C C 32 178.193 178.193 178.446 -0.253 25436 2548 1 5 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.398 0.797 25436 2549 1 5 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.276 0.537 25436 2550 1 5 . 1 1 32 32 ASP H H 32 7.147 7.147 7.687 -0.540 25436 2551 1 5 . 1 1 33 33 VAL N N 33 120.064 120.064 120.919 -0.855 25436 2552 1 5 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.874 -0.406 25436 2553 1 5 . 1 1 33 33 VAL C C 33 178.623 178.623 177.020 1.603 25436 2554 1 5 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.362 0.975 25436 2555 1 5 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.998 -0.702 25436 2556 1 5 . 1 1 33 33 VAL H H 33 7.939 7.939 8.166 -0.227 25436 2557 1 5 . 1 1 34 34 GLU N N 34 118.713 118.713 116.658 2.055 25436 2558 1 5 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.140 -0.381 25436 2559 1 5 . 1 1 34 34 GLU C C 34 178.700 178.700 176.206 2.494 25436 2560 1 5 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.671 2.832 25436 2561 1 5 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.220 0.110 25436 2562 1 5 . 1 1 34 34 GLU H H 34 8.641 8.641 8.051 0.590 25436 2563 1 5 . 1 1 35 35 ALA N N 35 121.519 121.519 120.136 1.383 25436 2564 1 5 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.551 -0.401 25436 2565 1 5 . 1 1 35 35 ALA C C 35 180.482 180.482 178.223 2.259 25436 2566 1 5 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.750 2.792 25436 2567 1 5 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.312 -2.255 25436 2568 1 5 . 1 1 35 35 ALA H H 35 7.818 7.818 7.585 0.233 25436 2569 1 5 . 1 1 36 36 ILE N N 36 117.410 117.410 118.011 -0.601 25436 2570 1 5 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.156 -0.488 25436 2571 1 5 . 1 1 36 36 ILE C C 36 178.664 178.664 176.246 2.418 25436 2572 1 5 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.709 2.081 25436 2573 1 5 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.389 0.396 25436 2574 1 5 . 1 1 36 36 ILE H H 36 7.778 7.778 7.607 0.171 25436 2575 1 5 . 1 1 37 37 PHE N N 37 113.502 113.502 117.140 -3.638 25436 2576 1 5 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.853 -0.490 25436 2577 1 5 . 1 1 37 37 PHE C C 37 179.622 179.622 177.247 2.375 25436 2578 1 5 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.455 4.248 25436 2579 1 5 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.466 -3.282 25436 2580 1 5 . 1 1 37 37 PHE H H 37 8.587 8.587 7.830 0.757 25436 2581 1 5 . 1 1 38 38 SER N N 38 122.010 122.010 116.033 5.977 25436 2582 1 5 . 1 1 38 38 SER HA H 38 4.819 4.819 4.724 0.095 25436 2583 1 5 . 1 1 38 38 SER C C 38 175.438 175.438 176.025 -0.587 25436 2584 1 5 . 1 1 38 38 SER CA C 38 61.462 61.462 60.095 1.367 25436 2585 1 5 . 1 1 38 38 SER CB C 38 62.737 62.737 62.758 -0.021 25436 2586 1 5 . 1 1 38 38 SER H H 38 8.827 8.827 8.770 0.057 25436 2587 1 5 . 1 1 39 39 LYS N N 39 119.345 119.345 118.455 0.890 25436 2588 1 5 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.129 -0.162 25436 2589 1 5 . 1 1 39 39 LYS C C 39 177.063 177.063 176.475 0.588 25436 2590 1 5 . 1 1 39 39 LYS CA C 39 58.259 58.259 58.194 0.065 25436 2591 1 5 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.671 -0.108 25436 2592 1 5 . 1 1 39 39 LYS H H 39 7.057 7.057 8.291 -1.234 25436 2593 1 5 . 1 1 40 40 TYR N N 40 114.420 114.420 118.159 -3.739 25436 2594 1 5 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.536 -0.255 25436 2595 1 5 . 1 1 40 40 TYR C C 40 174.841 174.841 174.099 0.742 25436 2596 1 5 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.356 1.500 25436 2597 1 5 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.371 -2.010 25436 2598 1 5 . 1 1 40 40 TYR H H 40 6.956 6.956 7.628 -0.672 25436 2599 1 5 . 1 1 41 41 GLY N N 41 106.506 106.506 104.354 2.152 25436 2600 1 5 . 1 1 41 41 GLY C C 41 170.572 170.572 172.424 -1.852 25436 2601 1 5 . 1 1 41 41 GLY CA C 41 44.571 44.571 44.987 -0.416 25436 2602 1 5 . 1 1 41 41 GLY H H 41 7.430 7.430 7.228 0.202 25436 2603 1 5 . 1 1 42 42 LYS N N 42 117.771 117.771 121.306 -3.535 25436 2604 1 5 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.592 -0.391 25436 2605 1 5 . 1 1 42 42 LYS C C 42 176.535 176.535 176.255 0.280 25436 2606 1 5 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.630 2.502 25436 2607 1 5 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.569 0.387 25436 2608 1 5 . 1 1 42 42 LYS H H 42 8.037 8.037 8.363 -0.326 25436 2609 1 5 . 1 1 43 43 ILE N N 43 127.134 127.134 127.569 -0.435 25436 2610 1 5 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.434 -0.408 25436 2611 1 5 . 1 1 43 43 ILE C C 43 176.992 176.992 176.006 0.986 25436 2612 1 5 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.693 -0.297 25436 2613 1 5 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.530 0.337 25436 2614 1 5 . 1 1 43 43 ILE H H 43 8.720 8.720 8.572 0.148 25436 2615 1 5 . 1 1 44 44 VAL N N 44 121.988 121.988 119.596 2.392 25436 2616 1 5 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.578 -0.210 25436 2617 1 5 . 1 1 44 44 VAL C C 44 176.854 176.854 175.429 1.425 25436 2618 1 5 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.606 1.278 25436 2619 1 5 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.761 -0.290 25436 2620 1 5 . 1 1 44 44 VAL H H 44 8.707 8.707 9.005 -0.298 25436 2621 1 5 . 1 1 45 45 GLY N N 45 109.497 109.497 108.818 0.679 25436 2622 1 5 . 1 1 45 45 GLY C C 45 171.265 171.265 171.572 -0.307 25436 2623 1 5 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.831 -0.815 25436 2624 1 5 . 1 1 45 45 GLY H H 45 7.541 7.541 7.556 -0.015 25436 2625 1 5 . 1 1 46 46 CYS N N 46 124.565 124.565 122.165 2.400 25436 2626 1 5 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.229 -0.218 25436 2627 1 5 . 1 1 46 46 CYS C C 46 172.072 172.072 172.337 -0.265 25436 2628 1 5 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.244 0.740 25436 2629 1 5 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.357 -2.028 25436 2630 1 5 . 1 1 46 46 CYS H H 46 8.983 8.983 8.575 0.408 25436 2631 1 5 . 1 1 47 47 SER N N 47 122.911 122.911 119.677 3.234 25436 2632 1 5 . 1 1 47 47 SER HA H 47 4.906 4.906 4.808 0.098 25436 2633 1 5 . 1 1 47 47 SER C C 47 171.848 171.848 171.644 0.204 25436 2634 1 5 . 1 1 47 47 SER CA C 47 56.487 56.487 57.287 -0.800 25436 2635 1 5 . 1 1 47 47 SER CB C 47 65.679 65.679 65.763 -0.084 25436 2636 1 5 . 1 1 47 47 SER H H 47 8.568 8.568 9.152 -0.584 25436 2637 1 5 . 1 1 48 48 VAL N N 48 121.488 121.488 120.262 1.226 25436 2638 1 5 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.159 -0.017 25436 2639 1 5 . 1 1 48 48 VAL C C 48 173.990 173.990 174.574 -0.584 25436 2640 1 5 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.974 1.273 25436 2641 1 5 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.092 -1.225 25436 2642 1 5 . 1 1 48 48 VAL H H 48 8.588 8.588 8.355 0.233 25436 2643 1 5 . 1 1 49 49 HIS N N 49 130.227 130.227 124.189 6.038 25436 2644 1 5 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.640 -0.231 25436 2645 1 5 . 1 1 49 49 HIS C C 49 173.949 173.949 173.732 0.217 25436 2646 1 5 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.031 0.635 25436 2647 1 5 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.475 -1.357 25436 2648 1 5 . 1 1 49 49 HIS H H 49 8.380 8.380 8.474 -0.094 25436 2649 1 5 . 1 1 50 50 LYS N N 50 121.171 121.171 119.721 1.450 25436 2650 1 5 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.004 0.430 25436 2651 1 5 . 1 1 50 50 LYS C C 50 175.527 175.527 177.465 -1.938 25436 2652 1 5 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.105 -0.187 25436 2653 1 5 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.163 -1.742 25436 2654 1 5 . 1 1 50 50 LYS H H 50 7.717 7.717 8.156 -0.439 25436 2655 1 5 . 1 1 51 51 GLY N N 51 113.993 113.993 111.831 2.162 25436 2656 1 5 . 1 1 51 51 GLY C C 51 174.252 174.252 172.947 1.305 25436 2657 1 5 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.450 -1.043 25436 2658 1 5 . 1 1 51 51 GLY H H 51 9.404 9.404 8.877 0.527 25436 2659 1 5 . 1 1 52 52 PHE N N 52 112.326 112.326 114.438 -2.112 25436 2660 1 5 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.568 -0.276 25436 2661 1 5 . 1 1 52 52 PHE C C 52 171.605 171.605 172.980 -1.375 25436 2662 1 5 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.499 0.755 25436 2663 1 5 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.284 -0.243 25436 2664 1 5 . 1 1 52 52 PHE H H 52 7.006 7.006 7.118 -0.112 25436 2665 1 5 . 1 1 53 53 ALA N N 53 119.722 119.722 119.282 0.440 25436 2666 1 5 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.886 -0.078 25436 2667 1 5 . 1 1 53 53 ALA C C 53 173.029 173.029 174.564 -1.535 25436 2668 1 5 . 1 1 53 53 ALA CA C 53 50.296 50.296 50.992 -0.696 25436 2669 1 5 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.539 2.260 25436 2670 1 5 . 1 1 53 53 ALA H H 53 8.677 8.677 8.712 -0.035 25436 2671 1 5 . 1 1 54 54 PHE N N 54 112.104 112.104 116.036 -3.932 25436 2672 1 5 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.653 -0.073 25436 2673 1 5 . 1 1 54 54 PHE C C 54 175.794 175.794 174.263 1.531 25436 2674 1 5 . 1 1 54 54 PHE CA C 54 56.714 56.714 57.108 -0.394 25436 2675 1 5 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.623 -0.337 25436 2676 1 5 . 1 1 54 54 PHE H H 54 8.797 8.797 9.043 -0.246 25436 2677 1 5 . 1 1 55 55 VAL N N 55 118.542 118.542 120.775 -2.233 25436 2678 1 5 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.443 -0.230 25436 2679 1 5 . 1 1 55 55 VAL C C 55 172.806 172.806 173.742 -0.936 25436 2680 1 5 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.161 0.767 25436 2681 1 5 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.947 -1.027 25436 2682 1 5 . 1 1 55 55 VAL H H 55 8.295 8.295 8.759 -0.464 25436 2683 1 5 . 1 1 56 56 GLN N N 56 128.473 128.473 124.414 4.059 25436 2684 1 5 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.780 -0.210 25436 2685 1 5 . 1 1 56 56 GLN C C 56 173.893 173.893 174.325 -0.432 25436 2686 1 5 . 1 1 56 56 GLN CA C 56 54.264 54.264 54.017 0.247 25436 2687 1 5 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.996 1.074 25436 2688 1 5 . 1 1 56 56 GLN H H 56 9.263 9.263 8.910 0.353 25436 2689 1 5 . 1 1 57 57 TYR N N 57 127.679 127.679 125.298 2.381 25436 2690 1 5 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.283 0.004 25436 2691 1 5 . 1 1 57 57 TYR C C 57 175.609 175.609 177.031 -1.422 25436 2692 1 5 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.310 1.357 25436 2693 1 5 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.164 -0.130 25436 2694 1 5 . 1 1 57 57 TYR H H 57 8.928 8.928 8.989 -0.061 25436 2695 1 5 . 1 1 58 58 VAL N N 58 116.710 116.710 117.791 -1.081 25436 2696 1 5 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.893 0.222 25436 2697 1 5 . 1 1 58 58 VAL C C 58 175.859 175.859 174.726 1.133 25436 2698 1 5 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.468 -0.410 25436 2699 1 5 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.188 0.825 25436 2700 1 5 . 1 1 58 58 VAL H H 58 9.479 9.479 8.684 0.795 25436 2701 1 5 . 1 1 59 59 ASN N N 59 112.455 112.455 112.815 -0.360 25436 2702 1 5 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.822 0.337 25436 2703 1 5 . 1 1 59 59 ASN C C 59 174.482 174.482 175.295 -0.813 25436 2704 1 5 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.774 0.168 25436 2705 1 5 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.300 1.892 25436 2706 1 5 . 1 1 59 59 ASN H H 59 7.218 7.218 7.506 -0.288 25436 2707 1 5 . 1 1 60 60 GLU N N 60 124.337 124.337 121.356 2.981 25436 2708 1 5 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.238 0.081 25436 2709 1 5 . 1 1 60 60 GLU C C 60 178.201 178.201 178.173 0.028 25436 2710 1 5 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.717 -0.977 25436 2711 1 5 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.966 0.391 25436 2712 1 5 . 1 1 60 60 GLU H H 60 8.808 8.808 9.002 -0.194 25436 2713 1 5 . 1 1 61 61 ARG N N 61 118.265 118.265 119.692 -1.427 25436 2714 1 5 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.015 -0.018 25436 2715 1 5 . 1 1 61 61 ARG C C 61 179.340 179.340 178.615 0.725 25436 2716 1 5 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.654 0.825 25436 2717 1 5 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.282 0.072 25436 2718 1 5 . 1 1 61 61 ARG H H 61 8.630 8.630 7.919 0.711 25436 2719 1 5 . 1 1 62 62 ASN N N 62 118.081 118.081 117.992 0.089 25436 2720 1 5 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.234 0.046 25436 2721 1 5 . 1 1 62 62 ASN C C 62 174.851 174.851 176.695 -1.844 25436 2722 1 5 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.144 0.308 25436 2723 1 5 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.185 0.833 25436 2724 1 5 . 1 1 62 62 ASN H H 62 7.785 7.785 8.999 -1.214 25436 2725 1 5 . 1 1 63 63 ALA N N 63 119.543 119.543 122.886 -3.343 25436 2726 1 5 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.478 -0.722 25436 2727 1 5 . 1 1 63 63 ALA C C 63 178.861 178.861 179.550 -0.689 25436 2728 1 5 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.000 -0.039 25436 2729 1 5 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.753 -0.212 25436 2730 1 5 . 1 1 63 63 ALA H H 63 6.779 6.779 7.304 -0.525 25436 2731 1 5 . 1 1 64 64 ARG N N 64 114.965 114.965 117.450 -2.485 25436 2732 1 5 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.053 -0.211 25436 2733 1 5 . 1 1 64 64 ARG C C 64 179.775 179.775 178.539 1.236 25436 2734 1 5 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.665 2.525 25436 2735 1 5 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.466 -0.153 25436 2736 1 5 . 1 1 64 64 ARG H H 64 8.755 8.755 8.373 0.382 25436 2737 1 5 . 1 1 65 65 ALA N N 65 123.704 123.704 121.607 2.097 25436 2738 1 5 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.031 0.099 25436 2739 1 5 . 1 1 65 65 ALA C C 65 179.560 179.560 178.379 1.181 25436 2740 1 5 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.739 0.240 25436 2741 1 5 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.186 -0.294 25436 2742 1 5 . 1 1 65 65 ALA H H 65 7.823 7.823 7.507 0.316 25436 2743 1 5 . 1 1 66 66 ALA N N 66 123.797 123.797 118.937 4.860 25436 2744 1 5 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.708 -1.632 25436 2745 1 5 . 1 1 66 66 ALA C C 66 179.259 179.259 179.361 -0.102 25436 2746 1 5 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.086 0.202 25436 2747 1 5 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.279 -0.004 25436 2748 1 5 . 1 1 66 66 ALA H H 66 7.545 7.545 7.475 0.070 25436 2749 1 5 . 1 1 67 67 VAL N N 67 116.549 116.549 118.069 -1.520 25436 2750 1 5 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.822 -0.468 25436 2751 1 5 . 1 1 67 67 VAL C C 67 177.744 177.744 176.542 1.202 25436 2752 1 5 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.078 0.455 25436 2753 1 5 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.701 0.268 25436 2754 1 5 . 1 1 67 67 VAL H H 67 7.619 7.619 8.513 -0.894 25436 2755 1 5 . 1 1 68 68 ALA N N 68 118.193 118.193 119.463 -1.270 25436 2756 1 5 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.456 -0.329 25436 2757 1 5 . 1 1 68 68 ALA C C 68 180.748 180.748 177.933 2.815 25436 2758 1 5 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.875 1.486 25436 2759 1 5 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.326 -1.198 25436 2760 1 5 . 1 1 68 68 ALA H H 68 7.550 7.550 7.451 0.099 25436 2761 1 5 . 1 1 69 69 GLY N N 69 103.773 103.773 106.197 -2.424 25436 2762 1 5 . 1 1 69 69 GLY C C 69 175.626 175.626 175.383 0.243 25436 2763 1 5 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.362 0.764 25436 2764 1 5 . 1 1 69 69 GLY H H 69 8.140 8.140 7.322 0.819 25436 2765 1 5 . 1 1 70 70 GLU N N 70 114.547 114.547 117.671 -3.124 25436 2766 1 5 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.462 0.174 25436 2767 1 5 . 1 1 70 70 GLU C C 70 176.391 176.391 175.185 1.206 25436 2768 1 5 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.829 -0.670 25436 2769 1 5 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.547 -0.282 25436 2770 1 5 . 1 1 70 70 GLU H H 70 7.654 7.654 7.844 -0.190 25436 2771 1 5 . 1 1 71 71 ASP N N 71 118.202 118.202 120.438 -2.236 25436 2772 1 5 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.331 -0.044 25436 2773 1 5 . 1 1 71 71 ASP C C 71 178.698 178.698 177.770 0.928 25436 2774 1 5 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.084 1.448 25436 2775 1 5 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.979 0.392 25436 2776 1 5 . 1 1 71 71 ASP H H 71 8.020 8.020 7.571 0.449 25436 2777 1 5 . 1 1 72 72 GLY N N 72 114.301 114.301 114.623 -0.322 25436 2778 1 5 . 1 1 72 72 GLY C C 72 173.791 173.791 173.626 0.165 25436 2779 1 5 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.207 0.552 25436 2780 1 5 . 1 1 72 72 GLY H H 72 8.305 8.305 8.463 -0.158 25436 2781 1 5 . 1 1 73 73 ARG N N 73 121.994 121.994 118.447 3.547 25436 2782 1 5 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.545 -0.350 25436 2783 1 5 . 1 1 73 73 ARG C C 73 175.187 175.187 174.906 0.281 25436 2784 1 5 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.771 1.731 25436 2785 1 5 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.844 -0.592 25436 2786 1 5 . 1 1 73 73 ARG H H 73 7.980 7.980 7.720 0.260 25436 2787 1 5 . 1 1 74 74 MET N N 74 125.081 125.081 122.050 3.031 25436 2788 1 5 . 1 1 74 74 MET HA H 74 4.823 4.823 5.135 -0.312 25436 2789 1 5 . 1 1 74 74 MET C C 74 175.726 175.726 175.164 0.562 25436 2790 1 5 . 1 1 74 74 MET CA C 74 55.029 55.029 55.271 -0.242 25436 2791 1 5 . 1 1 74 74 MET CB C 74 33.092 33.092 34.508 -1.416 25436 2792 1 5 . 1 1 74 74 MET H H 74 8.712 8.712 8.420 0.292 25436 2793 1 5 . 1 1 75 75 ILE N N 75 127.490 127.490 125.662 1.828 25436 2794 1 5 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.482 -0.100 25436 2795 1 5 . 1 1 75 75 ILE C C 75 175.276 175.276 175.494 -0.218 25436 2796 1 5 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.858 -1.054 25436 2797 1 5 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.168 -0.772 25436 2798 1 5 . 1 1 75 75 ILE H H 75 8.589 8.589 8.983 -0.394 25436 2799 1 5 . 1 1 76 76 ALA N N 76 132.147 132.147 127.479 4.668 25436 2800 1 5 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.037 0.001 25436 2801 1 5 . 1 1 76 76 ALA C C 76 177.205 177.205 177.745 -0.540 25436 2802 1 5 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.126 -1.192 25436 2803 1 5 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.043 0.105 25436 2804 1 5 . 1 1 76 76 ALA H H 76 9.547 9.547 8.956 0.591 25436 2805 1 5 . 1 1 77 77 GLY N N 77 101.695 101.695 101.527 0.168 25436 2806 1 5 . 1 1 77 77 GLY C C 77 174.205 174.205 174.156 0.049 25436 2807 1 5 . 1 1 77 77 GLY CA C 77 45.763 45.763 45.029 0.735 25436 2808 1 5 . 1 1 77 77 GLY H H 77 8.445 8.445 8.254 0.191 25436 2809 1 5 . 1 1 78 78 GLN N N 78 119.020 119.020 118.855 0.165 25436 2810 1 5 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.768 -0.039 25436 2811 1 5 . 1 1 78 78 GLN C C 78 174.046 174.046 174.274 -0.228 25436 2812 1 5 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.079 0.116 25436 2813 1 5 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.258 -0.368 25436 2814 1 5 . 1 1 78 78 GLN H H 78 7.720 7.720 7.832 -0.112 25436 2815 1 5 . 1 1 79 79 VAL N N 79 123.374 123.374 121.326 2.048 25436 2816 1 5 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.983 -0.971 25436 2817 1 5 . 1 1 79 79 VAL C C 79 176.347 176.347 175.640 0.707 25436 2818 1 5 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.055 1.600 25436 2819 1 5 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.321 -1.237 25436 2820 1 5 . 1 1 79 79 VAL H H 79 8.532 8.532 8.371 0.161 25436 2821 1 5 . 1 1 80 80 LEU N N 80 128.569 128.569 122.416 6.153 25436 2822 1 5 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.907 -0.620 25436 2823 1 5 . 1 1 80 80 LEU C C 80 176.521 176.521 175.437 1.084 25436 2824 1 5 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.341 3.722 25436 2825 1 5 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.340 -0.519 25436 2826 1 5 . 1 1 80 80 LEU H H 80 9.014 9.014 8.204 0.810 25436 2827 1 5 . 1 1 81 81 ASP N N 81 124.359 124.359 122.982 1.377 25436 2828 1 5 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.158 0.067 25436 2829 1 5 . 1 1 81 81 ASP C C 81 174.659 174.659 175.412 -0.753 25436 2830 1 5 . 1 1 81 81 ASP CA C 81 52.955 52.955 54.439 -1.484 25436 2831 1 5 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.886 0.786 25436 2832 1 5 . 1 1 81 81 ASP H H 81 7.850 7.850 8.375 -0.525 25436 2833 1 5 . 1 1 82 82 ILE N N 82 123.155 123.155 124.717 -1.562 25436 2834 1 5 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.815 0.587 25436 2835 1 5 . 1 1 82 82 ILE C C 82 174.520 174.520 175.133 -0.613 25436 2836 1 5 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.329 -1.097 25436 2837 1 5 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.873 1.090 25436 2838 1 5 . 1 1 82 82 ILE H H 82 9.086 9.086 8.732 0.354 25436 2839 1 5 . 1 1 83 83 ASN N N 83 116.417 116.417 122.366 -5.949 25436 2840 1 5 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.986 -0.139 25436 2841 1 5 . 1 1 83 83 ASN C C 83 174.565 174.565 173.696 0.869 25436 2842 1 5 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.178 0.870 25436 2843 1 5 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.350 0.760 25436 2844 1 5 . 1 1 83 83 ASN H H 83 8.495 8.495 8.582 -0.087 25436 2845 1 5 . 1 1 84 84 LEU N N 84 123.786 123.786 121.380 2.406 25436 2846 1 5 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.614 0.108 25436 2847 1 5 . 1 1 84 84 LEU C C 84 180.968 180.968 178.472 2.496 25436 2848 1 5 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.475 -0.175 25436 2849 1 5 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.574 -2.258 25436 2850 1 5 . 1 1 84 84 LEU H H 84 9.427 9.427 8.798 0.629 25436 2851 1 5 . 1 1 85 85 ALA N N 85 127.571 127.571 125.901 1.670 25436 2852 1 5 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.430 -0.382 25436 2853 1 5 . 1 1 85 85 ALA C C 85 177.931 177.931 176.745 1.186 25436 2854 1 5 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.033 2.263 25436 2855 1 5 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.068 -1.115 25436 2856 1 5 . 1 1 85 85 ALA H H 85 9.295 9.295 8.444 0.851 25436 2857 1 5 . 1 1 86 86 ALA N N 86 115.985 115.985 118.394 -2.409 25436 2858 1 5 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.432 -0.021 25436 2859 1 5 . 1 1 86 86 ALA C C 86 176.152 176.152 176.735 -0.583 25436 2860 1 5 . 1 1 86 86 ALA CA C 86 51.772 51.772 52.019 -0.247 25436 2861 1 5 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.337 -0.012 25436 2862 1 5 . 1 1 86 86 ALA H H 86 8.657 8.657 8.166 0.491 25436 2863 1 5 . 1 1 87 87 GLU N N 87 118.975 118.975 119.612 -0.637 25436 2864 1 5 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.636 0.099 25436 2865 1 5 . 1 1 87 87 GLU C C 87 171.676 171.676 174.003 -2.327 25436 2866 1 5 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.343 -0.195 25436 2867 1 5 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.080 -0.164 25436 2868 1 5 . 1 1 87 87 GLU H H 87 7.913 7.913 7.847 0.066 25436 2869 1 5 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.523 -0.176 25436 2870 1 5 . 1 1 88 88 PRO C C 88 177.303 177.303 176.326 0.977 25436 2871 1 5 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.304 -0.426 25436 2872 1 5 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.729 -0.827 25436 2873 1 5 . 1 1 89 89 LYS N N 89 121.335 121.335 120.173 1.162 25436 2874 1 5 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.561 -0.321 25436 2875 1 5 . 1 1 89 89 LYS C C 89 177.689 177.689 175.664 2.025 25436 2876 1 5 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.058 0.693 25436 2877 1 5 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.838 -0.402 25436 2878 1 5 . 1 1 89 89 LYS H H 89 8.020 8.020 8.468 -0.448 25436 2879 1 5 . 1 1 90 90 VAL N N 90 120.786 120.786 119.230 1.556 25436 2880 1 5 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.262 -0.340 25436 2881 1 5 . 1 1 90 90 VAL C C 90 176.169 176.169 175.679 0.490 25436 2882 1 5 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.737 2.561 25436 2883 1 5 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.679 -1.412 25436 2884 1 5 . 1 1 90 90 VAL H H 90 8.232 8.232 7.658 0.574 25436 2885 1 5 . 1 1 91 91 ASN N N 91 119.214 119.214 120.572 -1.358 25436 2886 1 5 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.676 -0.017 25436 2887 1 5 . 1 1 91 91 ASN C C 91 175.172 175.172 175.232 -0.060 25436 2888 1 5 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.639 -0.611 25436 2889 1 5 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.924 -0.755 25436 2890 1 5 . 1 1 91 91 ASN H H 91 8.453 8.453 8.747 -0.294 25436 2891 1 5 . 1 1 92 92 ARG N N 92 120.709 120.709 117.971 2.738 25436 2892 1 5 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.167 0.087 25436 2893 1 5 . 1 1 92 92 ARG C C 92 176.991 176.991 176.501 0.490 25436 2894 1 5 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.558 -0.058 25436 2895 1 5 . 1 1 92 92 ARG CB C 92 30.607 30.607 27.906 2.701 25436 2896 1 5 . 1 1 92 92 ARG H H 92 7.925 7.925 8.150 -0.225 25436 2897 1 5 . 1 1 93 93 GLY N N 93 110.299 110.299 106.391 3.908 25436 2898 1 5 . 1 1 93 93 GLY C C 93 174.245 174.245 174.292 -0.047 25436 2899 1 5 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.825 0.591 25436 2900 1 5 . 1 1 93 93 GLY H H 93 8.593 8.593 8.685 -0.092 25436 2901 1 5 . 1 1 94 94 LYS N N 94 120.781 120.781 115.985 4.796 25436 2902 1 5 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.976 0.318 25436 2903 1 5 . 1 1 94 94 LYS C C 94 176.524 176.524 174.899 1.625 25436 2904 1 5 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.472 -1.365 25436 2905 1 5 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.694 1.446 25436 2906 1 5 . 1 1 94 94 LYS H H 94 8.126 8.126 8.126 0.000 25436 2907 1 5 . 1 1 95 95 ALA N N 95 125.012 125.012 118.369 6.643 25436 2908 1 5 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.646 -0.347 25436 2909 1 5 . 1 1 95 95 ALA C C 95 178.324 178.324 177.671 0.653 25436 2910 1 5 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.307 1.494 25436 2911 1 5 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.481 -1.303 25436 2912 1 5 . 1 1 95 95 ALA H H 95 8.435 8.435 7.331 1.104 25436 2913 1 5 . 1 1 96 96 GLY N N 96 108.312 108.312 106.869 1.443 25436 2914 1 5 . 1 1 96 96 GLY C C 96 174.095 174.095 175.182 -1.087 25436 2915 1 5 . 1 1 96 96 GLY CA C 96 45.282 45.282 45.322 -0.040 25436 2916 1 5 . 1 1 96 96 GLY H H 96 8.414 8.414 8.816 -0.402 25436 2917 1 5 . 1 1 97 97 VAL N N 97 119.818 119.818 119.550 0.268 25436 2918 1 5 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.021 0.051 25436 2919 1 5 . 1 1 97 97 VAL C C 97 176.155 176.155 176.404 -0.249 25436 2920 1 5 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.402 -1.058 25436 2921 1 5 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.571 1.186 25436 2922 1 5 . 1 1 97 97 VAL H H 97 7.919 7.919 7.734 0.185 25436 2923 1 5 . 1 1 98 98 LYS N N 98 125.912 125.912 120.251 5.661 25436 2924 1 5 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.322 0.011 25436 2925 1 5 . 1 1 98 98 LYS C C 98 176.426 176.426 176.538 -0.112 25436 2926 1 5 . 1 1 98 98 LYS CA C 98 56.169 56.169 56.002 0.167 25436 2927 1 5 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.763 0.285 25436 2928 1 5 . 1 1 98 98 LYS H H 98 8.466 8.466 7.379 1.087 25436 2929 1 5 . 1 1 99 99 ARG N N 99 123.544 123.544 120.275 3.269 25436 2930 1 5 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.626 -0.257 25436 2931 1 5 . 1 1 99 99 ARG C C 99 176.230 176.230 175.914 0.316 25436 2932 1 5 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.073 0.921 25436 2933 1 5 . 1 1 99 99 ARG CB C 99 31.164 31.164 32.136 -0.972 25436 2934 1 5 . 1 1 99 99 ARG H H 99 8.468 8.468 8.521 -0.053 25436 2935 1 5 . 1 1 100 100 SER N N 100 117.781 117.781 115.431 2.350 25436 2936 1 5 . 1 1 100 100 SER HA H 100 4.452 4.452 4.562 -0.110 25436 2937 1 5 . 1 1 100 100 SER C C 100 174.555 174.555 176.337 -1.782 25436 2938 1 5 . 1 1 100 100 SER CA C 100 58.036 58.036 56.836 1.200 25436 2939 1 5 . 1 1 100 100 SER CB C 100 64.139 64.139 64.010 0.129 25436 2940 1 5 . 1 1 100 100 SER H H 100 8.507 8.507 8.570 -0.063 25436 2941 1 5 . 1 1 101 101 ALA N N 101 126.090 126.090 127.571 -1.481 25436 2942 1 5 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.338 -0.068 25436 2943 1 5 . 1 1 101 101 ALA C C 101 178.046 178.046 177.525 0.521 25436 2944 1 5 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.924 -0.654 25436 2945 1 5 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.558 0.474 25436 2946 1 5 . 1 1 101 101 ALA H H 101 8.529 8.529 9.120 -0.591 25436 2947 1 5 . 1 1 102 102 ALA N N 102 121.750 121.750 118.916 2.834 25436 2948 1 5 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.391 -0.164 25436 2949 1 5 . 1 1 102 102 ALA C C 102 178.253 178.253 177.223 1.030 25436 2950 1 5 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.671 0.324 25436 2951 1 5 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.205 -1.127 25436 2952 1 5 . 1 1 102 102 ALA H H 102 8.219 8.219 7.466 0.753 25436 2953 1 5 . 1 1 103 103 GLU N N 103 118.819 118.819 117.126 1.693 25436 2954 1 5 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.464 -0.262 25436 2955 1 5 . 1 1 103 103 GLU C C 103 176.515 176.515 176.854 -0.339 25436 2956 1 5 . 1 1 103 103 GLU CA C 103 56.669 56.669 56.147 0.522 25436 2957 1 5 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.262 -0.100 25436 2958 1 5 . 1 1 103 103 GLU H H 103 8.100 8.100 7.765 0.335 25436 2959 1 5 . 1 1 104 104 MET N N 104 120.178 120.178 118.568 1.610 25436 2960 1 5 . 1 1 104 104 MET HA H 104 4.332 4.332 4.187 0.145 25436 2961 1 5 . 1 1 104 104 MET C C 104 175.861 175.861 176.258 -0.397 25436 2962 1 5 . 1 1 104 104 MET CA C 104 55.869 55.869 57.584 -1.715 25436 2963 1 5 . 1 1 104 104 MET CB C 104 32.993 32.993 33.297 -0.305 25436 2964 1 5 . 1 1 104 104 MET H H 104 8.086 8.086 7.890 0.196 25436 2965 1 5 . 1 1 105 105 TYR N N 105 120.369 120.369 116.251 4.118 25436 2966 1 5 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.579 0.073 25436 2967 1 5 . 1 1 105 105 TYR C C 105 175.318 175.318 176.290 -0.972 25436 2968 1 5 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.514 0.071 25436 2969 1 5 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.969 -0.078 25436 2970 1 5 . 1 1 105 105 TYR H H 105 8.137 8.137 7.997 0.140 25436 2971 1 6 . 1 1 3 3 SER HA H 3 4.564 4.564 4.426 0.138 25436 2972 1 6 . 1 1 3 3 SER C C 3 173.407 173.407 175.074 -1.667 25436 2973 1 6 . 1 1 3 3 SER CA C 3 58.309 58.309 57.617 0.691 25436 2974 1 6 . 1 1 3 3 SER CB C 3 63.980 63.980 63.948 0.032 25436 2975 1 6 . 1 1 4 4 ASN N N 4 120.204 120.204 119.473 0.731 25436 2976 1 6 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.156 0.061 25436 2977 1 6 . 1 1 4 4 ASN C C 4 176.242 176.242 174.013 2.229 25436 2978 1 6 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.271 0.764 25436 2979 1 6 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.895 -0.180 25436 2980 1 6 . 1 1 4 4 ASN H H 4 8.783 8.783 8.733 0.050 25436 2981 1 6 . 1 1 5 5 VAL N N 5 122.598 122.598 119.453 3.145 25436 2982 1 6 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.297 -0.527 25436 2983 1 6 . 1 1 5 5 VAL C C 5 177.222 177.222 175.210 2.012 25436 2984 1 6 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.381 4.425 25436 2985 1 6 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.509 -2.654 25436 2986 1 6 . 1 1 5 5 VAL H H 5 8.326 8.326 7.577 0.749 25436 2987 1 6 . 1 1 6 6 THR N N 6 118.450 118.450 115.617 2.833 25436 2988 1 6 . 1 1 6 6 THR HA H 6 4.682 4.682 4.551 0.131 25436 2989 1 6 . 1 1 6 6 THR C C 6 174.349 174.349 173.854 0.495 25436 2990 1 6 . 1 1 6 6 THR CA C 6 60.542 60.542 61.330 -0.788 25436 2991 1 6 . 1 1 6 6 THR CB C 6 69.771 69.771 69.662 0.109 25436 2992 1 6 . 1 1 6 6 THR H H 6 9.391 9.391 8.429 0.962 25436 2993 1 6 . 1 1 7 7 ASN N N 7 120.847 120.847 118.560 2.287 25436 2994 1 6 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.501 0.054 25436 2995 1 6 . 1 1 7 7 ASN C C 7 176.863 176.863 175.800 1.063 25436 2996 1 6 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.428 -0.519 25436 2997 1 6 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.740 0.319 25436 2998 1 6 . 1 1 7 7 ASN H H 7 7.970 7.970 7.922 0.048 25436 2999 1 6 . 1 1 8 8 LYS N N 8 121.736 121.736 121.444 0.292 25436 3000 1 6 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.243 0.011 25436 3001 1 6 . 1 1 8 8 LYS C C 8 180.141 180.141 176.697 3.444 25436 3002 1 6 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.483 1.738 25436 3003 1 6 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.975 -0.685 25436 3004 1 6 . 1 1 8 8 LYS H H 8 8.577 8.577 8.106 0.471 25436 3005 1 6 . 1 1 9 9 THR N N 9 110.800 110.800 109.134 1.666 25436 3006 1 6 . 1 1 9 9 THR HA H 9 4.467 4.467 4.464 0.003 25436 3007 1 6 . 1 1 9 9 THR C C 9 174.484 174.484 173.470 1.014 25436 3008 1 6 . 1 1 9 9 THR CA C 9 61.242 61.242 60.831 0.410 25436 3009 1 6 . 1 1 9 9 THR CB C 9 69.009 69.009 69.842 -0.833 25436 3010 1 6 . 1 1 9 9 THR H H 9 8.695 8.695 8.236 0.459 25436 3011 1 6 . 1 1 10 10 ASP N N 10 120.937 120.937 124.075 -3.138 25436 3012 1 6 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.847 -0.024 25436 3013 1 6 . 1 1 10 10 ASP C C 10 173.945 173.945 176.172 -2.227 25436 3014 1 6 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.881 -1.395 25436 3015 1 6 . 1 1 10 10 ASP CB C 10 39.550 39.550 42.014 -2.464 25436 3016 1 6 . 1 1 10 10 ASP H H 10 7.908 7.908 7.792 0.116 25436 3017 1 6 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.360 -0.210 25436 3018 1 6 . 1 1 11 11 PRO C C 11 178.420 178.420 176.137 2.283 25436 3019 1 6 . 1 1 11 11 PRO CA C 11 66.213 66.213 65.059 1.154 25436 3020 1 6 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.914 0.241 25436 3021 1 6 . 1 1 12 12 ARG N N 12 116.349 116.349 112.677 3.672 25436 3022 1 6 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.717 -0.622 25436 3023 1 6 . 1 1 12 12 ARG C C 12 180.445 180.445 176.028 4.417 25436 3024 1 6 . 1 1 12 12 ARG CA C 12 59.571 59.571 55.875 3.696 25436 3025 1 6 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.177 0.058 25436 3026 1 6 . 1 1 12 12 ARG H H 12 7.944 7.944 7.929 0.015 25436 3027 1 6 . 1 1 13 13 SER N N 13 119.401 119.401 115.650 3.751 25436 3028 1 6 . 1 1 13 13 SER HA H 13 4.053 4.053 4.633 -0.580 25436 3029 1 6 . 1 1 13 13 SER C C 13 175.325 175.325 175.279 0.046 25436 3030 1 6 . 1 1 13 13 SER CA C 13 61.500 61.500 59.725 1.775 25436 3031 1 6 . 1 1 13 13 SER CB C 13 61.798 61.798 63.921 -2.123 25436 3032 1 6 . 1 1 13 13 SER H H 13 8.152 8.152 7.734 0.418 25436 3033 1 6 . 1 1 14 14 MET N N 14 120.254 120.254 116.957 3.297 25436 3034 1 6 . 1 1 14 14 MET HA H 14 4.090 4.090 4.299 -0.209 25436 3035 1 6 . 1 1 14 14 MET C C 14 178.575 178.575 176.157 2.418 25436 3036 1 6 . 1 1 14 14 MET CA C 14 58.317 58.317 56.953 1.364 25436 3037 1 6 . 1 1 14 14 MET CB C 14 31.466 31.466 32.629 -1.163 25436 3038 1 6 . 1 1 14 14 MET H H 14 8.241 8.241 7.872 0.369 25436 3039 1 6 . 1 1 15 15 ASN N N 15 115.299 115.299 110.835 4.464 25436 3040 1 6 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.819 -0.193 25436 3041 1 6 . 1 1 15 15 ASN C C 15 172.554 172.554 176.050 -3.496 25436 3042 1 6 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.223 0.837 25436 3043 1 6 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.133 -0.337 25436 3044 1 6 . 1 1 15 15 ASN H H 15 7.962 7.962 8.315 -0.353 25436 3045 1 6 . 1 1 16 16 SER N N 16 106.079 106.079 113.453 -7.374 25436 3046 1 6 . 1 1 16 16 SER HA H 16 4.500 4.500 4.661 -0.161 25436 3047 1 6 . 1 1 16 16 SER C C 16 172.120 172.120 173.774 -1.654 25436 3048 1 6 . 1 1 16 16 SER CA C 16 56.814 56.814 58.320 -1.506 25436 3049 1 6 . 1 1 16 16 SER CB C 16 63.439 63.439 63.717 -0.278 25436 3050 1 6 . 1 1 16 16 SER H H 16 7.249 7.249 7.781 -0.532 25436 3051 1 6 . 1 1 17 17 ARG N N 17 123.335 123.335 121.674 1.661 25436 3052 1 6 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.160 0.425 25436 3053 1 6 . 1 1 17 17 ARG C C 17 174.490 174.490 174.557 -0.067 25436 3054 1 6 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.886 -0.522 25436 3055 1 6 . 1 1 17 17 ARG CB C 17 32.858 32.858 34.295 -1.437 25436 3056 1 6 . 1 1 17 17 ARG H H 17 7.400 7.400 7.641 -0.241 25436 3057 1 6 . 1 1 18 18 VAL N N 18 122.241 122.241 122.322 -0.081 25436 3058 1 6 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.648 0.069 25436 3059 1 6 . 1 1 18 18 VAL C C 18 174.862 174.862 174.290 0.572 25436 3060 1 6 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.251 -0.528 25436 3061 1 6 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.406 -0.125 25436 3062 1 6 . 1 1 18 18 VAL H H 18 9.264 9.264 8.875 0.389 25436 3063 1 6 . 1 1 19 19 PHE N N 19 125.933 125.933 128.706 -2.773 25436 3064 1 6 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.412 0.054 25436 3065 1 6 . 1 1 19 19 PHE C C 19 171.966 171.966 173.235 -1.269 25436 3066 1 6 . 1 1 19 19 PHE CA C 19 57.123 57.123 54.932 2.191 25436 3067 1 6 . 1 1 19 19 PHE CB C 19 40.945 40.945 42.164 -1.219 25436 3068 1 6 . 1 1 19 19 PHE H H 19 9.162 9.162 9.247 -0.085 25436 3069 1 6 . 1 1 20 20 ILE N N 20 126.425 126.425 126.943 -0.518 25436 3070 1 6 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.345 -0.476 25436 3071 1 6 . 1 1 20 20 ILE C C 20 173.048 173.048 174.006 -0.958 25436 3072 1 6 . 1 1 20 20 ILE CA C 20 59.330 59.330 59.964 -0.634 25436 3073 1 6 . 1 1 20 20 ILE CB C 20 39.035 39.035 39.678 -0.644 25436 3074 1 6 . 1 1 20 20 ILE H H 20 7.723 7.723 8.097 -0.374 25436 3075 1 6 . 1 1 21 21 GLY N N 21 113.255 113.255 111.843 1.412 25436 3076 1 6 . 1 1 21 21 GLY C C 21 173.768 173.768 174.014 -0.246 25436 3077 1 6 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.718 1.212 25436 3078 1 6 . 1 1 21 21 GLY H H 21 8.498 8.498 8.563 -0.065 25436 3079 1 6 . 1 1 22 22 ASN N N 22 116.172 116.172 116.481 -0.309 25436 3080 1 6 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.308 0.121 25436 3081 1 6 . 1 1 22 22 ASN C C 22 174.204 174.204 174.643 -0.439 25436 3082 1 6 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.083 -0.565 25436 3083 1 6 . 1 1 22 22 ASN CB C 22 38.775 38.775 37.989 0.786 25436 3084 1 6 . 1 1 22 22 ASN H H 22 7.227 7.227 8.466 -1.239 25436 3085 1 6 . 1 1 23 23 LEU N N 23 119.429 119.429 119.354 0.075 25436 3086 1 6 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.362 -0.419 25436 3087 1 6 . 1 1 23 23 LEU C C 23 176.550 176.550 177.123 -0.573 25436 3088 1 6 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.694 -2.117 25436 3089 1 6 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.507 0.861 25436 3090 1 6 . 1 1 23 23 LEU H H 23 7.110 7.110 7.642 -0.532 25436 3091 1 6 . 1 1 24 24 ASN N N 24 122.292 122.292 121.362 0.930 25436 3092 1 6 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.699 0.373 25436 3093 1 6 . 1 1 24 24 ASN C C 24 175.830 175.830 175.544 0.286 25436 3094 1 6 . 1 1 24 24 ASN CA C 24 51.501 51.501 52.687 -1.185 25436 3095 1 6 . 1 1 24 24 ASN CB C 24 35.591 35.591 36.963 -1.372 25436 3096 1 6 . 1 1 24 24 ASN H H 24 8.975 8.975 8.809 0.166 25436 3097 1 6 . 1 1 25 25 THR N N 25 118.371 118.371 111.691 6.680 25436 3098 1 6 . 1 1 25 25 THR HA H 25 4.411 4.411 4.103 0.308 25436 3099 1 6 . 1 1 25 25 THR C C 25 175.285 175.285 175.334 -0.049 25436 3100 1 6 . 1 1 25 25 THR CA C 25 63.453 63.453 64.192 -0.739 25436 3101 1 6 . 1 1 25 25 THR CB C 25 67.150 67.150 68.527 -1.377 25436 3102 1 6 . 1 1 25 25 THR H H 25 8.466 8.466 8.036 0.430 25436 3103 1 6 . 1 1 26 26 LEU N N 26 121.017 121.017 115.954 5.063 25436 3104 1 6 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.588 -0.381 25436 3105 1 6 . 1 1 26 26 LEU C C 26 178.243 178.243 176.277 1.966 25436 3106 1 6 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.812 0.927 25436 3107 1 6 . 1 1 26 26 LEU CB C 26 41.132 41.132 41.485 -0.353 25436 3108 1 6 . 1 1 26 26 LEU H H 26 7.583 7.583 7.654 -0.071 25436 3109 1 6 . 1 1 27 27 VAL N N 27 115.968 115.968 116.724 -0.756 25436 3110 1 6 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.285 -0.260 25436 3111 1 6 . 1 1 27 27 VAL C C 27 175.199 175.199 175.068 0.131 25436 3112 1 6 . 1 1 27 27 VAL CA C 27 63.209 63.209 63.173 0.035 25436 3113 1 6 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.456 0.726 25436 3114 1 6 . 1 1 27 27 VAL H H 27 6.846 6.846 7.935 -1.089 25436 3115 1 6 . 1 1 28 28 VAL N N 28 121.753 121.753 120.993 0.760 25436 3116 1 6 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.999 -0.132 25436 3117 1 6 . 1 1 28 28 VAL C C 28 174.351 174.351 174.300 0.051 25436 3118 1 6 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.350 0.830 25436 3119 1 6 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.365 -1.320 25436 3120 1 6 . 1 1 28 28 VAL H H 28 8.389 8.389 7.783 0.606 25436 3121 1 6 . 1 1 29 29 LYS N N 29 124.108 124.108 121.708 2.400 25436 3122 1 6 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.563 0.065 25436 3123 1 6 . 1 1 29 29 LYS C C 29 177.958 177.958 176.736 1.222 25436 3124 1 6 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.797 -0.137 25436 3125 1 6 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.266 0.191 25436 3126 1 6 . 1 1 29 29 LYS H H 29 8.929 8.929 8.061 0.868 25436 3127 1 6 . 1 1 30 30 LYS N N 30 123.352 123.352 122.128 1.224 25436 3128 1 6 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.878 -0.215 25436 3129 1 6 . 1 1 30 30 LYS C C 30 177.638 177.638 178.074 -0.436 25436 3130 1 6 . 1 1 30 30 LYS CA C 30 61.400 61.400 60.143 1.257 25436 3131 1 6 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.068 0.588 25436 3132 1 6 . 1 1 30 30 LYS H H 30 8.994 8.994 8.816 0.178 25436 3133 1 6 . 1 1 31 31 SER N N 31 111.491 111.491 109.945 1.546 25436 3134 1 6 . 1 1 31 31 SER HA H 31 4.175 4.175 4.652 -0.477 25436 3135 1 6 . 1 1 31 31 SER C C 31 177.616 177.616 174.997 2.619 25436 3136 1 6 . 1 1 31 31 SER CA C 31 61.402 61.402 59.259 2.143 25436 3137 1 6 . 1 1 31 31 SER CB C 31 61.541 61.541 62.739 -1.198 25436 3138 1 6 . 1 1 31 31 SER H H 31 8.686 8.686 8.262 0.424 25436 3139 1 6 . 1 1 32 32 ASP N N 32 122.114 122.114 122.504 -0.390 25436 3140 1 6 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.740 -0.216 25436 3141 1 6 . 1 1 32 32 ASP C C 32 178.193 178.193 178.320 -0.127 25436 3142 1 6 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.363 0.832 25436 3143 1 6 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.465 0.348 25436 3144 1 6 . 1 1 32 32 ASP H H 32 7.147 7.147 7.827 -0.680 25436 3145 1 6 . 1 1 33 33 VAL N N 33 120.064 120.064 120.681 -0.617 25436 3146 1 6 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.849 -0.381 25436 3147 1 6 . 1 1 33 33 VAL C C 33 178.623 178.623 176.983 1.640 25436 3148 1 6 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.371 0.966 25436 3149 1 6 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.922 -0.625 25436 3150 1 6 . 1 1 33 33 VAL H H 33 7.939 7.939 7.784 0.155 25436 3151 1 6 . 1 1 34 34 GLU N N 34 118.713 118.713 116.286 2.427 25436 3152 1 6 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.191 -0.432 25436 3153 1 6 . 1 1 34 34 GLU C C 34 178.700 178.700 176.615 2.085 25436 3154 1 6 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.491 3.012 25436 3155 1 6 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.277 0.053 25436 3156 1 6 . 1 1 34 34 GLU H H 34 8.641 8.641 7.866 0.775 25436 3157 1 6 . 1 1 35 35 ALA N N 35 121.519 121.519 121.093 0.426 25436 3158 1 6 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.610 -0.460 25436 3159 1 6 . 1 1 35 35 ALA C C 35 180.482 180.482 178.061 2.421 25436 3160 1 6 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.622 2.920 25436 3161 1 6 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.473 -2.416 25436 3162 1 6 . 1 1 35 35 ALA H H 35 7.818 7.818 7.652 0.166 25436 3163 1 6 . 1 1 36 36 ILE N N 36 117.410 117.410 118.140 -0.730 25436 3164 1 6 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.147 -0.479 25436 3165 1 6 . 1 1 36 36 ILE C C 36 178.664 178.664 176.412 2.252 25436 3166 1 6 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.931 1.859 25436 3167 1 6 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.383 0.402 25436 3168 1 6 . 1 1 36 36 ILE H H 36 7.778 7.778 7.632 0.146 25436 3169 1 6 . 1 1 37 37 PHE N N 37 113.502 113.502 116.631 -3.129 25436 3170 1 6 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.839 -0.476 25436 3171 1 6 . 1 1 37 37 PHE C C 37 179.622 179.622 177.611 2.011 25436 3172 1 6 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.673 4.030 25436 3173 1 6 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.351 -3.167 25436 3174 1 6 . 1 1 37 37 PHE H H 37 8.587 8.587 7.839 0.748 25436 3175 1 6 . 1 1 38 38 SER N N 38 122.010 122.010 115.405 6.605 25436 3176 1 6 . 1 1 38 38 SER HA H 38 4.819 4.819 4.679 0.140 25436 3177 1 6 . 1 1 38 38 SER C C 38 175.438 175.438 175.614 -0.176 25436 3178 1 6 . 1 1 38 38 SER CA C 38 61.462 61.462 59.445 2.017 25436 3179 1 6 . 1 1 38 38 SER CB C 38 62.737 62.737 63.194 -0.457 25436 3180 1 6 . 1 1 38 38 SER H H 38 8.827 8.827 8.674 0.153 25436 3181 1 6 . 1 1 39 39 LYS N N 39 119.345 119.345 117.871 1.474 25436 3182 1 6 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.177 -0.210 25436 3183 1 6 . 1 1 39 39 LYS C C 39 177.063 177.063 176.543 0.520 25436 3184 1 6 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.627 0.632 25436 3185 1 6 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.664 -0.102 25436 3186 1 6 . 1 1 39 39 LYS H H 39 7.057 7.057 7.996 -0.939 25436 3187 1 6 . 1 1 40 40 TYR N N 40 114.420 114.420 119.057 -4.637 25436 3188 1 6 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.606 -0.325 25436 3189 1 6 . 1 1 40 40 TYR C C 40 174.841 174.841 174.363 0.478 25436 3190 1 6 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.500 1.356 25436 3191 1 6 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.365 -2.004 25436 3192 1 6 . 1 1 40 40 TYR H H 40 6.956 6.956 7.654 -0.698 25436 3193 1 6 . 1 1 41 41 GLY N N 41 106.506 106.506 105.254 1.252 25436 3194 1 6 . 1 1 41 41 GLY C C 41 170.572 170.572 172.033 -1.461 25436 3195 1 6 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.386 -0.815 25436 3196 1 6 . 1 1 41 41 GLY H H 41 7.430 7.430 7.425 0.005 25436 3197 1 6 . 1 1 42 42 LYS N N 42 117.771 117.771 121.185 -3.414 25436 3198 1 6 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.596 -0.395 25436 3199 1 6 . 1 1 42 42 LYS C C 42 176.535 176.535 176.251 0.284 25436 3200 1 6 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.573 2.559 25436 3201 1 6 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.665 0.291 25436 3202 1 6 . 1 1 42 42 LYS H H 42 8.037 8.037 8.366 -0.329 25436 3203 1 6 . 1 1 43 43 ILE N N 43 127.134 127.134 127.012 0.122 25436 3204 1 6 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.341 -0.315 25436 3205 1 6 . 1 1 43 43 ILE C C 43 176.992 176.992 175.928 1.064 25436 3206 1 6 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.894 -0.498 25436 3207 1 6 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.622 0.245 25436 3208 1 6 . 1 1 43 43 ILE H H 43 8.720 8.720 8.549 0.171 25436 3209 1 6 . 1 1 44 44 VAL N N 44 121.988 121.988 120.055 1.933 25436 3210 1 6 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.555 -0.187 25436 3211 1 6 . 1 1 44 44 VAL C C 44 176.854 176.854 175.461 1.393 25436 3212 1 6 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.611 1.274 25436 3213 1 6 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.081 -0.609 25436 3214 1 6 . 1 1 44 44 VAL H H 44 8.707 8.707 8.712 -0.005 25436 3215 1 6 . 1 1 45 45 GLY N N 45 109.497 109.497 108.944 0.553 25436 3216 1 6 . 1 1 45 45 GLY C C 45 171.265 171.265 172.282 -1.017 25436 3217 1 6 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.834 -0.817 25436 3218 1 6 . 1 1 45 45 GLY H H 45 7.541 7.541 7.582 -0.041 25436 3219 1 6 . 1 1 46 46 CYS N N 46 124.565 124.565 119.467 5.098 25436 3220 1 6 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.501 -0.490 25436 3221 1 6 . 1 1 46 46 CYS C C 46 172.072 172.072 172.502 -0.430 25436 3222 1 6 . 1 1 46 46 CYS CA C 46 57.984 57.984 56.522 1.462 25436 3223 1 6 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.513 -3.184 25436 3224 1 6 . 1 1 46 46 CYS H H 46 8.983 8.983 8.922 0.061 25436 3225 1 6 . 1 1 47 47 SER N N 47 122.911 122.911 115.589 7.322 25436 3226 1 6 . 1 1 47 47 SER HA H 47 4.906 4.906 4.785 0.121 25436 3227 1 6 . 1 1 47 47 SER C C 47 171.848 171.848 172.090 -0.242 25436 3228 1 6 . 1 1 47 47 SER CA C 47 56.487 56.487 57.545 -1.058 25436 3229 1 6 . 1 1 47 47 SER CB C 47 65.679 65.679 66.291 -0.612 25436 3230 1 6 . 1 1 47 47 SER H H 47 8.568 8.568 9.012 -0.444 25436 3231 1 6 . 1 1 48 48 VAL N N 48 121.488 121.488 121.820 -0.332 25436 3232 1 6 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.127 0.015 25436 3233 1 6 . 1 1 48 48 VAL C C 48 173.990 173.990 173.417 0.573 25436 3234 1 6 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.475 1.772 25436 3235 1 6 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.122 -0.255 25436 3236 1 6 . 1 1 48 48 VAL H H 48 8.588 8.588 8.147 0.441 25436 3237 1 6 . 1 1 49 49 HIS N N 49 130.227 130.227 125.043 5.184 25436 3238 1 6 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.734 -0.325 25436 3239 1 6 . 1 1 49 49 HIS C C 49 173.949 173.949 173.670 0.279 25436 3240 1 6 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.144 0.522 25436 3241 1 6 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.890 -0.772 25436 3242 1 6 . 1 1 49 49 HIS H H 49 8.380 8.380 8.768 -0.388 25436 3243 1 6 . 1 1 50 50 LYS N N 50 121.171 121.171 119.731 1.440 25436 3244 1 6 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.960 0.474 25436 3245 1 6 . 1 1 50 50 LYS C C 50 175.527 175.527 177.513 -1.986 25436 3246 1 6 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.135 -0.217 25436 3247 1 6 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.002 -1.581 25436 3248 1 6 . 1 1 50 50 LYS H H 50 7.717 7.717 8.161 -0.444 25436 3249 1 6 . 1 1 51 51 GLY N N 51 113.993 113.993 112.013 1.980 25436 3250 1 6 . 1 1 51 51 GLY C C 51 174.252 174.252 172.947 1.305 25436 3251 1 6 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.451 -1.044 25436 3252 1 6 . 1 1 51 51 GLY H H 51 9.404 9.404 8.908 0.496 25436 3253 1 6 . 1 1 52 52 PHE N N 52 112.326 112.326 115.440 -3.114 25436 3254 1 6 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.645 -0.353 25436 3255 1 6 . 1 1 52 52 PHE C C 52 171.605 171.605 172.970 -1.365 25436 3256 1 6 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.349 0.905 25436 3257 1 6 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.648 -0.607 25436 3258 1 6 . 1 1 52 52 PHE H H 52 7.006 7.006 7.110 -0.104 25436 3259 1 6 . 1 1 53 53 ALA N N 53 119.722 119.722 119.336 0.386 25436 3260 1 6 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.923 -0.115 25436 3261 1 6 . 1 1 53 53 ALA C C 53 173.029 173.029 174.539 -1.510 25436 3262 1 6 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.108 -0.812 25436 3263 1 6 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.544 2.256 25436 3264 1 6 . 1 1 53 53 ALA H H 53 8.677 8.677 8.753 -0.076 25436 3265 1 6 . 1 1 54 54 PHE N N 54 112.104 112.104 116.317 -4.213 25436 3266 1 6 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.529 0.051 25436 3267 1 6 . 1 1 54 54 PHE C C 54 175.794 175.794 174.280 1.514 25436 3268 1 6 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.938 -0.224 25436 3269 1 6 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.534 -0.248 25436 3270 1 6 . 1 1 54 54 PHE H H 54 8.797 8.797 8.976 -0.179 25436 3271 1 6 . 1 1 55 55 VAL N N 55 118.542 118.542 121.673 -3.131 25436 3272 1 6 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.386 -0.173 25436 3273 1 6 . 1 1 55 55 VAL C C 55 172.806 172.806 173.818 -1.012 25436 3274 1 6 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.415 0.513 25436 3275 1 6 . 1 1 55 55 VAL CB C 55 34.920 34.920 34.964 -0.044 25436 3276 1 6 . 1 1 55 55 VAL H H 55 8.295 8.295 8.670 -0.375 25436 3277 1 6 . 1 1 56 56 GLN N N 56 128.473 128.473 127.406 1.067 25436 3278 1 6 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.681 -0.111 25436 3279 1 6 . 1 1 56 56 GLN C C 56 173.893 173.893 174.522 -0.629 25436 3280 1 6 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.968 0.296 25436 3281 1 6 . 1 1 56 56 GLN CB C 56 32.070 32.070 29.864 2.206 25436 3282 1 6 . 1 1 56 56 GLN H H 56 9.263 9.263 8.892 0.371 25436 3283 1 6 . 1 1 57 57 TYR N N 57 127.679 127.679 125.659 2.020 25436 3284 1 6 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.145 0.142 25436 3285 1 6 . 1 1 57 57 TYR C C 57 175.609 175.609 176.934 -1.325 25436 3286 1 6 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.697 0.972 25436 3287 1 6 . 1 1 57 57 TYR CB C 57 40.034 40.034 39.926 0.108 25436 3288 1 6 . 1 1 57 57 TYR H H 57 8.928 8.928 8.808 0.120 25436 3289 1 6 . 1 1 58 58 VAL N N 58 116.710 116.710 117.674 -0.964 25436 3290 1 6 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.893 0.222 25436 3291 1 6 . 1 1 58 58 VAL C C 58 175.859 175.859 174.764 1.095 25436 3292 1 6 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.560 -0.502 25436 3293 1 6 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.213 0.800 25436 3294 1 6 . 1 1 58 58 VAL H H 58 9.479 9.479 8.666 0.813 25436 3295 1 6 . 1 1 59 59 ASN N N 59 112.455 112.455 113.051 -0.596 25436 3296 1 6 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.803 0.356 25436 3297 1 6 . 1 1 59 59 ASN C C 59 174.482 174.482 175.297 -0.815 25436 3298 1 6 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.930 0.012 25436 3299 1 6 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.231 1.961 25436 3300 1 6 . 1 1 59 59 ASN H H 59 7.218 7.218 7.512 -0.294 25436 3301 1 6 . 1 1 60 60 GLU N N 60 124.337 124.337 121.424 2.913 25436 3302 1 6 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.228 0.091 25436 3303 1 6 . 1 1 60 60 GLU C C 60 178.201 178.201 178.173 0.028 25436 3304 1 6 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.754 -1.014 25436 3305 1 6 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.964 0.393 25436 3306 1 6 . 1 1 60 60 GLU H H 60 8.808 8.808 8.994 -0.186 25436 3307 1 6 . 1 1 61 61 ARG N N 61 118.265 118.265 119.668 -1.403 25436 3308 1 6 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.019 -0.022 25436 3309 1 6 . 1 1 61 61 ARG C C 61 179.340 179.340 178.619 0.721 25436 3310 1 6 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.660 0.819 25436 3311 1 6 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.294 0.060 25436 3312 1 6 . 1 1 61 61 ARG H H 61 8.630 8.630 7.936 0.694 25436 3313 1 6 . 1 1 62 62 ASN N N 62 118.081 118.081 117.980 0.101 25436 3314 1 6 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.244 0.036 25436 3315 1 6 . 1 1 62 62 ASN C C 62 174.851 174.851 176.716 -1.865 25436 3316 1 6 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.223 0.229 25436 3317 1 6 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.228 0.790 25436 3318 1 6 . 1 1 62 62 ASN H H 62 7.785 7.785 9.033 -1.248 25436 3319 1 6 . 1 1 63 63 ALA N N 63 119.543 119.543 122.896 -3.353 25436 3320 1 6 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.480 -0.724 25436 3321 1 6 . 1 1 63 63 ALA C C 63 178.861 178.861 179.544 -0.683 25436 3322 1 6 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.008 -0.047 25436 3323 1 6 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.751 -0.211 25436 3324 1 6 . 1 1 63 63 ALA H H 63 6.779 6.779 7.320 -0.541 25436 3325 1 6 . 1 1 64 64 ARG N N 64 114.965 114.965 117.324 -2.359 25436 3326 1 6 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.065 -0.223 25436 3327 1 6 . 1 1 64 64 ARG C C 64 179.775 179.775 178.526 1.249 25436 3328 1 6 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.532 2.658 25436 3329 1 6 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.455 -0.142 25436 3330 1 6 . 1 1 64 64 ARG H H 64 8.755 8.755 8.390 0.365 25436 3331 1 6 . 1 1 65 65 ALA N N 65 123.704 123.704 121.709 1.995 25436 3332 1 6 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.053 0.077 25436 3333 1 6 . 1 1 65 65 ALA C C 65 179.560 179.560 178.369 1.191 25436 3334 1 6 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.747 0.232 25436 3335 1 6 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.206 -0.314 25436 3336 1 6 . 1 1 65 65 ALA H H 65 7.823 7.823 7.513 0.310 25436 3337 1 6 . 1 1 66 66 ALA N N 66 123.797 123.797 118.929 4.868 25436 3338 1 6 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.668 -1.592 25436 3339 1 6 . 1 1 66 66 ALA C C 66 179.259 179.259 179.313 -0.054 25436 3340 1 6 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.057 0.231 25436 3341 1 6 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.265 0.010 25436 3342 1 6 . 1 1 66 66 ALA H H 66 7.545 7.545 7.464 0.081 25436 3343 1 6 . 1 1 67 67 VAL N N 67 116.549 116.549 117.992 -1.443 25436 3344 1 6 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.821 -0.467 25436 3345 1 6 . 1 1 67 67 VAL C C 67 177.744 177.744 176.495 1.249 25436 3346 1 6 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.004 0.529 25436 3347 1 6 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.673 0.296 25436 3348 1 6 . 1 1 67 67 VAL H H 67 7.619 7.619 8.474 -0.855 25436 3349 1 6 . 1 1 68 68 ALA N N 68 118.193 118.193 119.712 -1.519 25436 3350 1 6 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.418 -0.291 25436 3351 1 6 . 1 1 68 68 ALA C C 68 180.748 180.748 177.897 2.851 25436 3352 1 6 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.816 1.545 25436 3353 1 6 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.277 -1.149 25436 3354 1 6 . 1 1 68 68 ALA H H 68 7.550 7.550 7.437 0.113 25436 3355 1 6 . 1 1 69 69 GLY N N 69 103.773 103.773 106.437 -2.664 25436 3356 1 6 . 1 1 69 69 GLY C C 69 175.626 175.626 175.444 0.182 25436 3357 1 6 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.431 0.695 25436 3358 1 6 . 1 1 69 69 GLY H H 69 8.140 8.140 7.317 0.823 25436 3359 1 6 . 1 1 70 70 GLU N N 70 114.547 114.547 117.693 -3.146 25436 3360 1 6 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.452 0.184 25436 3361 1 6 . 1 1 70 70 GLU C C 70 176.391 176.391 175.194 1.197 25436 3362 1 6 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.803 -0.644 25436 3363 1 6 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.553 -0.288 25436 3364 1 6 . 1 1 70 70 GLU H H 70 7.654 7.654 7.818 -0.164 25436 3365 1 6 . 1 1 71 71 ASP N N 71 118.202 118.202 120.435 -2.233 25436 3366 1 6 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.320 -0.033 25436 3367 1 6 . 1 1 71 71 ASP C C 71 178.698 178.698 177.791 0.907 25436 3368 1 6 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.118 1.413 25436 3369 1 6 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.988 0.383 25436 3370 1 6 . 1 1 71 71 ASP H H 71 8.020 8.020 7.552 0.468 25436 3371 1 6 . 1 1 72 72 GLY N N 72 114.301 114.301 114.555 -0.254 25436 3372 1 6 . 1 1 72 72 GLY C C 72 173.791 173.791 173.645 0.146 25436 3373 1 6 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.206 0.553 25436 3374 1 6 . 1 1 72 72 GLY H H 72 8.305 8.305 8.436 -0.131 25436 3375 1 6 . 1 1 73 73 ARG N N 73 121.994 121.994 118.504 3.490 25436 3376 1 6 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.537 -0.342 25436 3377 1 6 . 1 1 73 73 ARG C C 73 175.187 175.187 175.061 0.126 25436 3378 1 6 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.794 1.708 25436 3379 1 6 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.810 -0.558 25436 3380 1 6 . 1 1 73 73 ARG H H 73 7.980 7.980 7.737 0.243 25436 3381 1 6 . 1 1 74 74 MET N N 74 125.081 125.081 121.957 3.124 25436 3382 1 6 . 1 1 74 74 MET HA H 74 4.823 4.823 5.138 -0.315 25436 3383 1 6 . 1 1 74 74 MET C C 74 175.726 175.726 175.099 0.627 25436 3384 1 6 . 1 1 74 74 MET CA C 74 55.029 55.029 55.186 -0.157 25436 3385 1 6 . 1 1 74 74 MET CB C 74 33.092 33.092 34.770 -1.679 25436 3386 1 6 . 1 1 74 74 MET H H 74 8.712 8.712 8.429 0.283 25436 3387 1 6 . 1 1 75 75 ILE N N 75 127.490 127.490 125.183 2.307 25436 3388 1 6 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.493 -0.111 25436 3389 1 6 . 1 1 75 75 ILE C C 75 175.276 175.276 175.411 -0.135 25436 3390 1 6 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.767 -0.963 25436 3391 1 6 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.319 -0.923 25436 3392 1 6 . 1 1 75 75 ILE H H 75 8.589 8.589 8.976 -0.387 25436 3393 1 6 . 1 1 76 76 ALA N N 76 132.147 132.147 130.157 1.990 25436 3394 1 6 . 1 1 76 76 ALA HA H 76 4.038 4.038 3.998 0.040 25436 3395 1 6 . 1 1 76 76 ALA C C 76 177.205 177.205 177.520 -0.315 25436 3396 1 6 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.046 -1.112 25436 3397 1 6 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.337 -0.189 25436 3398 1 6 . 1 1 76 76 ALA H H 76 9.547 9.547 8.858 0.689 25436 3399 1 6 . 1 1 77 77 GLY N N 77 101.695 101.695 102.234 -0.539 25436 3400 1 6 . 1 1 77 77 GLY C C 77 174.205 174.205 174.520 -0.315 25436 3401 1 6 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.777 0.986 25436 3402 1 6 . 1 1 77 77 GLY H H 77 8.445 8.445 8.250 0.195 25436 3403 1 6 . 1 1 78 78 GLN N N 78 119.020 119.020 118.772 0.248 25436 3404 1 6 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.744 -0.015 25436 3405 1 6 . 1 1 78 78 GLN C C 78 174.046 174.046 174.269 -0.223 25436 3406 1 6 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.098 0.097 25436 3407 1 6 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.667 -0.778 25436 3408 1 6 . 1 1 78 78 GLN H H 78 7.720 7.720 8.031 -0.311 25436 3409 1 6 . 1 1 79 79 VAL N N 79 123.374 123.374 121.517 1.857 25436 3410 1 6 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.977 -0.965 25436 3411 1 6 . 1 1 79 79 VAL C C 79 176.347 176.347 175.630 0.717 25436 3412 1 6 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.231 1.424 25436 3413 1 6 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.133 -1.050 25436 3414 1 6 . 1 1 79 79 VAL H H 79 8.532 8.532 8.390 0.142 25436 3415 1 6 . 1 1 80 80 LEU N N 80 128.569 128.569 123.066 5.503 25436 3416 1 6 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.939 -0.652 25436 3417 1 6 . 1 1 80 80 LEU C C 80 176.521 176.521 175.339 1.182 25436 3418 1 6 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.172 3.891 25436 3419 1 6 . 1 1 80 80 LEU CB C 80 42.821 42.821 42.975 -0.154 25436 3420 1 6 . 1 1 80 80 LEU H H 80 9.014 9.014 8.174 0.840 25436 3421 1 6 . 1 1 81 81 ASP N N 81 124.359 124.359 122.379 1.980 25436 3422 1 6 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.131 0.094 25436 3423 1 6 . 1 1 81 81 ASP C C 81 174.659 174.659 175.374 -0.715 25436 3424 1 6 . 1 1 81 81 ASP CA C 81 52.955 52.955 53.493 -0.538 25436 3425 1 6 . 1 1 81 81 ASP CB C 81 42.672 42.672 42.004 0.668 25436 3426 1 6 . 1 1 81 81 ASP H H 81 7.850 7.850 8.239 -0.389 25436 3427 1 6 . 1 1 82 82 ILE N N 82 123.155 123.155 126.729 -3.574 25436 3428 1 6 . 1 1 82 82 ILE HA H 82 5.402 5.402 5.014 0.388 25436 3429 1 6 . 1 1 82 82 ILE C C 82 174.520 174.520 175.127 -0.607 25436 3430 1 6 . 1 1 82 82 ILE CA C 82 59.232 59.232 59.934 -0.702 25436 3431 1 6 . 1 1 82 82 ILE CB C 82 40.963 40.963 40.065 0.898 25436 3432 1 6 . 1 1 82 82 ILE H H 82 9.086 9.086 8.722 0.364 25436 3433 1 6 . 1 1 83 83 ASN N N 83 116.417 116.417 122.460 -6.043 25436 3434 1 6 . 1 1 83 83 ASN HA H 83 4.847 4.847 5.000 -0.153 25436 3435 1 6 . 1 1 83 83 ASN C C 83 174.565 174.565 173.720 0.845 25436 3436 1 6 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.114 0.934 25436 3437 1 6 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.310 0.800 25436 3438 1 6 . 1 1 83 83 ASN H H 83 8.495 8.495 8.612 -0.117 25436 3439 1 6 . 1 1 84 84 LEU N N 84 123.786 123.786 121.129 2.657 25436 3440 1 6 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.611 0.111 25436 3441 1 6 . 1 1 84 84 LEU C C 84 180.968 180.968 178.552 2.416 25436 3442 1 6 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.629 -0.329 25436 3443 1 6 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.347 -2.031 25436 3444 1 6 . 1 1 84 84 LEU H H 84 9.427 9.427 8.814 0.613 25436 3445 1 6 . 1 1 85 85 ALA N N 85 127.571 127.571 124.723 2.848 25436 3446 1 6 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.396 -0.348 25436 3447 1 6 . 1 1 85 85 ALA C C 85 177.931 177.931 176.657 1.274 25436 3448 1 6 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.125 2.171 25436 3449 1 6 . 1 1 85 85 ALA CB C 85 17.953 17.953 18.967 -1.014 25436 3450 1 6 . 1 1 85 85 ALA H H 85 9.295 9.295 8.336 0.959 25436 3451 1 6 . 1 1 86 86 ALA N N 86 115.985 115.985 117.931 -1.946 25436 3452 1 6 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.412 -0.001 25436 3453 1 6 . 1 1 86 86 ALA C C 86 176.152 176.152 176.510 -0.358 25436 3454 1 6 . 1 1 86 86 ALA CA C 86 51.772 51.772 52.026 -0.254 25436 3455 1 6 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.009 0.316 25436 3456 1 6 . 1 1 86 86 ALA H H 86 8.657 8.657 8.238 0.419 25436 3457 1 6 . 1 1 87 87 GLU N N 87 118.975 118.975 119.559 -0.584 25436 3458 1 6 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.680 0.055 25436 3459 1 6 . 1 1 87 87 GLU C C 87 171.676 171.676 173.681 -2.005 25436 3460 1 6 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.043 0.105 25436 3461 1 6 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.714 0.202 25436 3462 1 6 . 1 1 87 87 GLU H H 87 7.913 7.913 7.995 -0.082 25436 3463 1 6 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.517 -0.170 25436 3464 1 6 . 1 1 88 88 PRO C C 88 177.303 177.303 176.862 0.441 25436 3465 1 6 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.341 -0.463 25436 3466 1 6 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.365 -0.464 25436 3467 1 6 . 1 1 89 89 LYS N N 89 121.335 121.335 121.097 0.238 25436 3468 1 6 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.488 -0.248 25436 3469 1 6 . 1 1 89 89 LYS C C 89 177.689 177.689 175.594 2.095 25436 3470 1 6 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.625 0.126 25436 3471 1 6 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.339 0.097 25436 3472 1 6 . 1 1 89 89 LYS H H 89 8.020 8.020 8.680 -0.660 25436 3473 1 6 . 1 1 90 90 VAL N N 90 120.786 120.786 119.214 1.572 25436 3474 1 6 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.213 -0.291 25436 3475 1 6 . 1 1 90 90 VAL C C 90 176.169 176.169 174.694 1.475 25436 3476 1 6 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.553 2.745 25436 3477 1 6 . 1 1 90 90 VAL CB C 90 32.267 32.267 34.333 -2.066 25436 3478 1 6 . 1 1 90 90 VAL H H 90 8.232 8.232 7.552 0.680 25436 3479 1 6 . 1 1 91 91 ASN N N 91 119.214 119.214 122.005 -2.791 25436 3480 1 6 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.543 0.116 25436 3481 1 6 . 1 1 91 91 ASN C C 91 175.172 175.172 175.519 -0.347 25436 3482 1 6 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.887 -0.859 25436 3483 1 6 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.877 -0.708 25436 3484 1 6 . 1 1 91 91 ASN H H 91 8.453 8.453 8.812 -0.359 25436 3485 1 6 . 1 1 92 92 ARG N N 92 120.709 120.709 115.602 5.107 25436 3486 1 6 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.121 0.133 25436 3487 1 6 . 1 1 92 92 ARG C C 92 176.991 176.991 176.760 0.231 25436 3488 1 6 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.885 -0.384 25436 3489 1 6 . 1 1 92 92 ARG CB C 92 30.607 30.607 27.497 3.110 25436 3490 1 6 . 1 1 92 92 ARG H H 92 7.925 7.925 7.987 -0.062 25436 3491 1 6 . 1 1 93 93 GLY N N 93 110.299 110.299 107.613 2.686 25436 3492 1 6 . 1 1 93 93 GLY C C 93 174.245 174.245 173.940 0.305 25436 3493 1 6 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.371 1.045 25436 3494 1 6 . 1 1 93 93 GLY H H 93 8.593 8.593 8.709 -0.116 25436 3495 1 6 . 1 1 94 94 LYS N N 94 120.781 120.781 115.893 4.888 25436 3496 1 6 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.944 0.350 25436 3497 1 6 . 1 1 94 94 LYS C C 94 176.524 176.524 174.800 1.724 25436 3498 1 6 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.663 -1.556 25436 3499 1 6 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.291 1.849 25436 3500 1 6 . 1 1 94 94 LYS H H 94 8.126 8.126 8.098 0.028 25436 3501 1 6 . 1 1 95 95 ALA N N 95 125.012 125.012 118.299 6.713 25436 3502 1 6 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.531 -0.232 25436 3503 1 6 . 1 1 95 95 ALA C C 95 178.324 178.324 177.148 1.176 25436 3504 1 6 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.470 1.331 25436 3505 1 6 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.394 -1.216 25436 3506 1 6 . 1 1 95 95 ALA H H 95 8.435 8.435 7.189 1.246 25436 3507 1 6 . 1 1 96 96 GLY N N 96 108.312 108.312 107.155 1.157 25436 3508 1 6 . 1 1 96 96 GLY C C 96 174.095 174.095 175.185 -1.090 25436 3509 1 6 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.244 -0.962 25436 3510 1 6 . 1 1 96 96 GLY H H 96 8.414 8.414 8.751 -0.337 25436 3511 1 6 . 1 1 97 97 VAL N N 97 119.818 119.818 119.501 0.317 25436 3512 1 6 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.946 0.126 25436 3513 1 6 . 1 1 97 97 VAL C C 97 176.155 176.155 176.264 -0.109 25436 3514 1 6 . 1 1 97 97 VAL CA C 97 62.344 62.344 62.618 -0.274 25436 3515 1 6 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.868 0.889 25436 3516 1 6 . 1 1 97 97 VAL H H 97 7.919 7.919 7.631 0.288 25436 3517 1 6 . 1 1 98 98 LYS N N 98 125.912 125.912 119.418 6.494 25436 3518 1 6 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.227 0.106 25436 3519 1 6 . 1 1 98 98 LYS C C 98 176.426 176.426 176.133 0.293 25436 3520 1 6 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.694 0.475 25436 3521 1 6 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.794 0.254 25436 3522 1 6 . 1 1 98 98 LYS H H 98 8.466 8.466 7.436 1.030 25436 3523 1 6 . 1 1 99 99 ARG N N 99 123.544 123.544 120.644 2.900 25436 3524 1 6 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.497 -0.128 25436 3525 1 6 . 1 1 99 99 ARG C C 99 176.230 176.230 174.887 1.343 25436 3526 1 6 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.013 0.981 25436 3527 1 6 . 1 1 99 99 ARG CB C 99 31.164 31.164 33.509 -2.345 25436 3528 1 6 . 1 1 99 99 ARG H H 99 8.468 8.468 8.439 0.029 25436 3529 1 6 . 1 1 100 100 SER N N 100 117.781 117.781 115.756 2.025 25436 3530 1 6 . 1 1 100 100 SER HA H 100 4.452 4.452 4.446 0.006 25436 3531 1 6 . 1 1 100 100 SER C C 100 174.555 174.555 175.773 -1.218 25436 3532 1 6 . 1 1 100 100 SER CA C 100 58.036 58.036 58.082 -0.046 25436 3533 1 6 . 1 1 100 100 SER CB C 100 64.139 64.139 63.904 0.235 25436 3534 1 6 . 1 1 100 100 SER H H 100 8.507 8.507 8.441 0.066 25436 3535 1 6 . 1 1 101 101 ALA N N 101 126.090 126.090 125.236 0.854 25436 3536 1 6 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.114 0.156 25436 3537 1 6 . 1 1 101 101 ALA C C 101 178.046 178.046 177.281 0.765 25436 3538 1 6 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.266 -0.996 25436 3539 1 6 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.492 0.539 25436 3540 1 6 . 1 1 101 101 ALA H H 101 8.529 8.529 8.745 -0.216 25436 3541 1 6 . 1 1 102 102 ALA N N 102 121.750 121.750 118.559 3.191 25436 3542 1 6 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.478 -0.251 25436 3543 1 6 . 1 1 102 102 ALA C C 102 178.253 178.253 177.808 0.445 25436 3544 1 6 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.061 0.934 25436 3545 1 6 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.719 -0.641 25436 3546 1 6 . 1 1 102 102 ALA H H 102 8.219 8.219 7.837 0.382 25436 3547 1 6 . 1 1 103 103 GLU N N 103 118.819 118.819 117.867 0.952 25436 3548 1 6 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.446 -0.244 25436 3549 1 6 . 1 1 103 103 GLU C C 103 176.515 176.515 177.339 -0.824 25436 3550 1 6 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.844 0.825 25436 3551 1 6 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.368 -0.206 25436 3552 1 6 . 1 1 103 103 GLU H H 103 8.100 8.100 8.009 0.091 25436 3553 1 6 . 1 1 104 104 MET N N 104 120.178 120.178 118.214 1.964 25436 3554 1 6 . 1 1 104 104 MET HA H 104 4.332 4.332 3.996 0.336 25436 3555 1 6 . 1 1 104 104 MET C C 104 175.861 175.861 176.151 -0.290 25436 3556 1 6 . 1 1 104 104 MET CA C 104 55.869 55.869 58.015 -2.146 25436 3557 1 6 . 1 1 104 104 MET CB C 104 32.993 32.993 32.077 0.916 25436 3558 1 6 . 1 1 104 104 MET H H 104 8.086 8.086 7.788 0.298 25436 3559 1 6 . 1 1 105 105 TYR N N 105 120.369 120.369 115.368 5.001 25436 3560 1 6 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.581 0.071 25436 3561 1 6 . 1 1 105 105 TYR C C 105 175.318 175.318 176.432 -1.114 25436 3562 1 6 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.587 -0.002 25436 3563 1 6 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.572 0.319 25436 3564 1 6 . 1 1 105 105 TYR H H 105 8.137 8.137 7.527 0.610 25436 3565 1 7 . 1 1 3 3 SER HA H 3 4.564 4.564 4.391 0.173 25436 3566 1 7 . 1 1 3 3 SER C C 3 173.407 173.407 174.886 -1.479 25436 3567 1 7 . 1 1 3 3 SER CA C 3 58.309 58.309 58.559 -0.250 25436 3568 1 7 . 1 1 3 3 SER CB C 3 63.980 63.980 63.697 0.283 25436 3569 1 7 . 1 1 4 4 ASN N N 4 120.204 120.204 118.804 1.400 25436 3570 1 7 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.011 0.206 25436 3571 1 7 . 1 1 4 4 ASN C C 4 176.242 176.242 173.988 2.254 25436 3572 1 7 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.212 0.823 25436 3573 1 7 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.768 -0.053 25436 3574 1 7 . 1 1 4 4 ASN H H 4 8.783 8.783 8.631 0.152 25436 3575 1 7 . 1 1 5 5 VAL N N 5 122.598 122.598 120.785 1.813 25436 3576 1 7 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.251 -0.481 25436 3577 1 7 . 1 1 5 5 VAL C C 5 177.222 177.222 175.257 1.965 25436 3578 1 7 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.702 4.104 25436 3579 1 7 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.451 -3.596 25436 3580 1 7 . 1 1 5 5 VAL H H 5 8.326 8.326 7.569 0.757 25436 3581 1 7 . 1 1 6 6 THR N N 6 118.450 118.450 115.698 2.752 25436 3582 1 7 . 1 1 6 6 THR HA H 6 4.682 4.682 4.552 0.130 25436 3583 1 7 . 1 1 6 6 THR C C 6 174.349 174.349 173.100 1.249 25436 3584 1 7 . 1 1 6 6 THR CA C 6 60.542 60.542 61.368 -0.826 25436 3585 1 7 . 1 1 6 6 THR CB C 6 69.771 69.771 69.427 0.344 25436 3586 1 7 . 1 1 6 6 THR H H 6 9.391 9.391 8.477 0.914 25436 3587 1 7 . 1 1 7 7 ASN N N 7 120.847 120.847 117.695 3.152 25436 3588 1 7 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.529 0.026 25436 3589 1 7 . 1 1 7 7 ASN C C 7 176.863 176.863 175.767 1.096 25436 3590 1 7 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.574 -0.665 25436 3591 1 7 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.830 0.229 25436 3592 1 7 . 1 1 7 7 ASN H H 7 7.970 7.970 7.873 0.097 25436 3593 1 7 . 1 1 8 8 LYS N N 8 121.736 121.736 121.844 -0.108 25436 3594 1 7 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.244 0.010 25436 3595 1 7 . 1 1 8 8 LYS C C 8 180.141 180.141 177.355 2.786 25436 3596 1 7 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.680 1.541 25436 3597 1 7 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.857 -0.567 25436 3598 1 7 . 1 1 8 8 LYS H H 8 8.577 8.577 8.269 0.308 25436 3599 1 7 . 1 1 9 9 THR N N 9 110.800 110.800 109.565 1.235 25436 3600 1 7 . 1 1 9 9 THR HA H 9 4.467 4.467 4.401 0.066 25436 3601 1 7 . 1 1 9 9 THR C C 9 174.484 174.484 173.500 0.984 25436 3602 1 7 . 1 1 9 9 THR CA C 9 61.242 61.242 61.505 -0.263 25436 3603 1 7 . 1 1 9 9 THR CB C 9 69.009 69.009 69.583 -0.574 25436 3604 1 7 . 1 1 9 9 THR H H 9 8.695 8.695 8.431 0.264 25436 3605 1 7 . 1 1 10 10 ASP N N 10 120.937 120.937 123.579 -2.642 25436 3606 1 7 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.820 0.003 25436 3607 1 7 . 1 1 10 10 ASP C C 10 173.945 173.945 176.416 -2.471 25436 3608 1 7 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.860 -1.374 25436 3609 1 7 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.817 -2.267 25436 3610 1 7 . 1 1 10 10 ASP H H 10 7.908 7.908 7.838 0.070 25436 3611 1 7 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.401 -0.251 25436 3612 1 7 . 1 1 11 11 PRO C C 11 178.420 178.420 176.421 1.999 25436 3613 1 7 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.705 1.508 25436 3614 1 7 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.014 0.141 25436 3615 1 7 . 1 1 12 12 ARG N N 12 116.349 116.349 113.325 3.024 25436 3616 1 7 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.835 -0.740 25436 3617 1 7 . 1 1 12 12 ARG C C 12 180.445 180.445 176.236 4.209 25436 3618 1 7 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.295 3.276 25436 3619 1 7 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.031 -0.796 25436 3620 1 7 . 1 1 12 12 ARG H H 12 7.944 7.944 8.040 -0.096 25436 3621 1 7 . 1 1 13 13 SER N N 13 119.401 119.401 115.219 4.182 25436 3622 1 7 . 1 1 13 13 SER HA H 13 4.053 4.053 4.612 -0.559 25436 3623 1 7 . 1 1 13 13 SER C C 13 175.325 175.325 175.319 0.006 25436 3624 1 7 . 1 1 13 13 SER CA C 13 61.500 61.500 59.789 1.711 25436 3625 1 7 . 1 1 13 13 SER CB C 13 61.798 61.798 63.954 -2.156 25436 3626 1 7 . 1 1 13 13 SER H H 13 8.152 8.152 7.632 0.520 25436 3627 1 7 . 1 1 14 14 MET N N 14 120.254 120.254 117.514 2.740 25436 3628 1 7 . 1 1 14 14 MET HA H 14 4.090 4.090 4.332 -0.242 25436 3629 1 7 . 1 1 14 14 MET C C 14 178.575 178.575 175.752 2.823 25436 3630 1 7 . 1 1 14 14 MET CA C 14 58.317 58.317 57.591 0.726 25436 3631 1 7 . 1 1 14 14 MET CB C 14 31.466 31.466 33.391 -1.925 25436 3632 1 7 . 1 1 14 14 MET H H 14 8.241 8.241 7.872 0.369 25436 3633 1 7 . 1 1 15 15 ASN N N 15 115.299 115.299 111.605 3.694 25436 3634 1 7 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.802 -0.176 25436 3635 1 7 . 1 1 15 15 ASN C C 15 172.554 172.554 175.590 -3.036 25436 3636 1 7 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.099 0.961 25436 3637 1 7 . 1 1 15 15 ASN CB C 15 38.796 38.796 38.792 0.004 25436 3638 1 7 . 1 1 15 15 ASN H H 15 7.962 7.962 8.203 -0.241 25436 3639 1 7 . 1 1 16 16 SER N N 16 106.079 106.079 115.200 -9.121 25436 3640 1 7 . 1 1 16 16 SER HA H 16 4.500 4.500 4.702 -0.202 25436 3641 1 7 . 1 1 16 16 SER C C 16 172.120 172.120 173.324 -1.204 25436 3642 1 7 . 1 1 16 16 SER CA C 16 56.814 56.814 57.099 -0.284 25436 3643 1 7 . 1 1 16 16 SER CB C 16 63.439 63.439 63.375 0.064 25436 3644 1 7 . 1 1 16 16 SER H H 16 7.249 7.249 8.424 -1.175 25436 3645 1 7 . 1 1 17 17 ARG N N 17 123.335 123.335 120.996 2.339 25436 3646 1 7 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.280 0.305 25436 3647 1 7 . 1 1 17 17 ARG C C 17 174.490 174.490 174.838 -0.348 25436 3648 1 7 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.514 -0.150 25436 3649 1 7 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.841 -0.983 25436 3650 1 7 . 1 1 17 17 ARG H H 17 7.400 7.400 7.715 -0.315 25436 3651 1 7 . 1 1 18 18 VAL N N 18 122.241 122.241 123.170 -0.929 25436 3652 1 7 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.618 0.099 25436 3653 1 7 . 1 1 18 18 VAL C C 18 174.862 174.862 174.276 0.586 25436 3654 1 7 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.272 -0.549 25436 3655 1 7 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.215 0.066 25436 3656 1 7 . 1 1 18 18 VAL H H 18 9.264 9.264 8.947 0.317 25436 3657 1 7 . 1 1 19 19 PHE N N 19 125.933 125.933 129.289 -3.356 25436 3658 1 7 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.305 0.161 25436 3659 1 7 . 1 1 19 19 PHE C C 19 171.966 171.966 173.392 -1.426 25436 3660 1 7 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.187 1.936 25436 3661 1 7 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.664 -0.719 25436 3662 1 7 . 1 1 19 19 PHE H H 19 9.162 9.162 9.192 -0.030 25436 3663 1 7 . 1 1 20 20 ILE N N 20 126.425 126.425 127.437 -1.012 25436 3664 1 7 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.116 -0.247 25436 3665 1 7 . 1 1 20 20 ILE C C 20 173.048 173.048 174.223 -1.175 25436 3666 1 7 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.002 -0.672 25436 3667 1 7 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.690 0.345 25436 3668 1 7 . 1 1 20 20 ILE H H 20 7.723 7.723 8.101 -0.378 25436 3669 1 7 . 1 1 21 21 GLY N N 21 113.255 113.255 111.496 1.759 25436 3670 1 7 . 1 1 21 21 GLY C C 21 173.768 173.768 174.388 -0.620 25436 3671 1 7 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.149 0.781 25436 3672 1 7 . 1 1 21 21 GLY H H 21 8.498 8.498 8.352 0.146 25436 3673 1 7 . 1 1 22 22 ASN N N 22 116.172 116.172 116.149 0.023 25436 3674 1 7 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.291 0.138 25436 3675 1 7 . 1 1 22 22 ASN C C 22 174.204 174.204 174.628 -0.424 25436 3676 1 7 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.223 -0.705 25436 3677 1 7 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.054 0.721 25436 3678 1 7 . 1 1 22 22 ASN H H 22 7.227 7.227 8.336 -1.109 25436 3679 1 7 . 1 1 23 23 LEU N N 23 119.429 119.429 118.643 0.786 25436 3680 1 7 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.265 -0.322 25436 3681 1 7 . 1 1 23 23 LEU C C 23 176.550 176.550 176.150 0.400 25436 3682 1 7 . 1 1 23 23 LEU CA C 23 52.577 52.577 55.033 -2.456 25436 3683 1 7 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.073 1.295 25436 3684 1 7 . 1 1 23 23 LEU H H 23 7.110 7.110 7.362 -0.252 25436 3685 1 7 . 1 1 24 24 ASN N N 24 122.292 122.292 120.443 1.849 25436 3686 1 7 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.621 0.451 25436 3687 1 7 . 1 1 24 24 ASN C C 24 175.830 175.830 175.721 0.109 25436 3688 1 7 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.432 -1.931 25436 3689 1 7 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.217 -2.626 25436 3690 1 7 . 1 1 24 24 ASN H H 24 8.975 8.975 8.872 0.103 25436 3691 1 7 . 1 1 25 25 THR N N 25 118.371 118.371 116.336 2.035 25436 3692 1 7 . 1 1 25 25 THR HA H 25 4.411 4.411 4.375 0.036 25436 3693 1 7 . 1 1 25 25 THR C C 25 175.285 175.285 175.241 0.044 25436 3694 1 7 . 1 1 25 25 THR CA C 25 63.453 63.453 62.109 1.343 25436 3695 1 7 . 1 1 25 25 THR CB C 25 67.150 67.150 69.033 -1.883 25436 3696 1 7 . 1 1 25 25 THR H H 25 8.466 8.466 8.129 0.337 25436 3697 1 7 . 1 1 26 26 LEU N N 26 121.017 121.017 119.807 1.210 25436 3698 1 7 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.407 -0.200 25436 3699 1 7 . 1 1 26 26 LEU C C 26 178.243 178.243 176.811 1.432 25436 3700 1 7 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.874 0.865 25436 3701 1 7 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.047 -0.915 25436 3702 1 7 . 1 1 26 26 LEU H H 26 7.583 7.583 7.887 -0.304 25436 3703 1 7 . 1 1 27 27 VAL N N 27 115.968 115.968 115.155 0.813 25436 3704 1 7 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.241 -0.216 25436 3705 1 7 . 1 1 27 27 VAL C C 27 175.199 175.199 175.054 0.145 25436 3706 1 7 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.803 0.406 25436 3707 1 7 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.304 0.878 25436 3708 1 7 . 1 1 27 27 VAL H H 27 6.846 6.846 7.365 -0.519 25436 3709 1 7 . 1 1 28 28 VAL N N 28 121.753 121.753 121.148 0.605 25436 3710 1 7 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.979 -0.112 25436 3711 1 7 . 1 1 28 28 VAL C C 28 174.351 174.351 174.356 -0.005 25436 3712 1 7 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.281 0.899 25436 3713 1 7 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.140 -1.095 25436 3714 1 7 . 1 1 28 28 VAL H H 28 8.389 8.389 7.341 1.048 25436 3715 1 7 . 1 1 29 29 LYS N N 29 124.108 124.108 121.394 2.714 25436 3716 1 7 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.533 0.095 25436 3717 1 7 . 1 1 29 29 LYS C C 29 177.958 177.958 176.585 1.373 25436 3718 1 7 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.862 -0.202 25436 3719 1 7 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.276 0.180 25436 3720 1 7 . 1 1 29 29 LYS H H 29 8.929 8.929 7.981 0.948 25436 3721 1 7 . 1 1 30 30 LYS N N 30 123.352 123.352 122.349 1.003 25436 3722 1 7 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.867 -0.204 25436 3723 1 7 . 1 1 30 30 LYS C C 30 177.638 177.638 178.246 -0.608 25436 3724 1 7 . 1 1 30 30 LYS CA C 30 61.400 61.400 60.034 1.366 25436 3725 1 7 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.186 0.470 25436 3726 1 7 . 1 1 30 30 LYS H H 30 8.994 8.994 8.746 0.248 25436 3727 1 7 . 1 1 31 31 SER N N 31 111.491 111.491 109.696 1.795 25436 3728 1 7 . 1 1 31 31 SER HA H 31 4.175 4.175 4.530 -0.355 25436 3729 1 7 . 1 1 31 31 SER C C 31 177.616 177.616 175.306 2.310 25436 3730 1 7 . 1 1 31 31 SER CA C 31 61.402 61.402 59.703 1.698 25436 3731 1 7 . 1 1 31 31 SER CB C 31 61.541 61.541 62.728 -1.187 25436 3732 1 7 . 1 1 31 31 SER H H 31 8.686 8.686 8.314 0.372 25436 3733 1 7 . 1 1 32 32 ASP N N 32 122.114 122.114 122.468 -0.354 25436 3734 1 7 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.741 -0.217 25436 3735 1 7 . 1 1 32 32 ASP C C 32 178.193 178.193 178.355 -0.162 25436 3736 1 7 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.313 0.881 25436 3737 1 7 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.417 0.396 25436 3738 1 7 . 1 1 32 32 ASP H H 32 7.147 7.147 7.832 -0.685 25436 3739 1 7 . 1 1 33 33 VAL N N 33 120.064 120.064 120.876 -0.812 25436 3740 1 7 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.839 -0.371 25436 3741 1 7 . 1 1 33 33 VAL C C 33 178.623 178.623 177.012 1.611 25436 3742 1 7 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.365 0.972 25436 3743 1 7 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.952 -0.656 25436 3744 1 7 . 1 1 33 33 VAL H H 33 7.939 7.939 7.912 0.027 25436 3745 1 7 . 1 1 34 34 GLU N N 34 118.713 118.713 116.261 2.452 25436 3746 1 7 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.155 -0.396 25436 3747 1 7 . 1 1 34 34 GLU C C 34 178.700 178.700 176.138 2.562 25436 3748 1 7 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.459 3.044 25436 3749 1 7 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.167 0.163 25436 3750 1 7 . 1 1 34 34 GLU H H 34 8.641 8.641 8.033 0.608 25436 3751 1 7 . 1 1 35 35 ALA N N 35 121.519 121.519 119.970 1.549 25436 3752 1 7 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.557 -0.407 25436 3753 1 7 . 1 1 35 35 ALA C C 35 180.482 180.482 178.045 2.437 25436 3754 1 7 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.802 2.740 25436 3755 1 7 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.251 -2.194 25436 3756 1 7 . 1 1 35 35 ALA H H 35 7.818 7.818 7.642 0.176 25436 3757 1 7 . 1 1 36 36 ILE N N 36 117.410 117.410 117.416 -0.006 25436 3758 1 7 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.160 -0.492 25436 3759 1 7 . 1 1 36 36 ILE C C 36 178.664 178.664 176.826 1.838 25436 3760 1 7 . 1 1 36 36 ILE CA C 36 64.790 64.790 63.384 1.406 25436 3761 1 7 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.697 0.088 25436 3762 1 7 . 1 1 36 36 ILE H H 36 7.778 7.778 7.707 0.071 25436 3763 1 7 . 1 1 37 37 PHE N N 37 113.502 113.502 118.552 -5.050 25436 3764 1 7 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.809 -0.446 25436 3765 1 7 . 1 1 37 37 PHE C C 37 179.622 179.622 177.671 1.951 25436 3766 1 7 . 1 1 37 37 PHE CA C 37 62.703 62.703 59.478 3.224 25436 3767 1 7 . 1 1 37 37 PHE CB C 37 37.184 37.184 39.629 -2.445 25436 3768 1 7 . 1 1 37 37 PHE H H 37 8.587 8.587 8.036 0.551 25436 3769 1 7 . 1 1 38 38 SER N N 38 122.010 122.010 115.348 6.662 25436 3770 1 7 . 1 1 38 38 SER HA H 38 4.819 4.819 4.680 0.139 25436 3771 1 7 . 1 1 38 38 SER C C 38 175.438 175.438 175.462 -0.024 25436 3772 1 7 . 1 1 38 38 SER CA C 38 61.462 61.462 59.790 1.672 25436 3773 1 7 . 1 1 38 38 SER CB C 38 62.737 62.737 62.901 -0.164 25436 3774 1 7 . 1 1 38 38 SER H H 38 8.827 8.827 8.661 0.166 25436 3775 1 7 . 1 1 39 39 LYS N N 39 119.345 119.345 117.507 1.838 25436 3776 1 7 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.212 -0.245 25436 3777 1 7 . 1 1 39 39 LYS C C 39 177.063 177.063 176.467 0.596 25436 3778 1 7 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.516 0.743 25436 3779 1 7 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.860 -0.298 25436 3780 1 7 . 1 1 39 39 LYS H H 39 7.057 7.057 8.045 -0.988 25436 3781 1 7 . 1 1 40 40 TYR N N 40 114.420 114.420 119.260 -4.840 25436 3782 1 7 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.586 -0.305 25436 3783 1 7 . 1 1 40 40 TYR C C 40 174.841 174.841 174.390 0.451 25436 3784 1 7 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.904 0.952 25436 3785 1 7 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.374 -2.013 25436 3786 1 7 . 1 1 40 40 TYR H H 40 6.956 6.956 7.660 -0.704 25436 3787 1 7 . 1 1 41 41 GLY N N 41 106.506 106.506 105.178 1.328 25436 3788 1 7 . 1 1 41 41 GLY C C 41 170.572 170.572 172.088 -1.516 25436 3789 1 7 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.341 -0.770 25436 3790 1 7 . 1 1 41 41 GLY H H 41 7.430 7.430 7.432 -0.002 25436 3791 1 7 . 1 1 42 42 LYS N N 42 117.771 117.771 121.207 -3.436 25436 3792 1 7 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.575 -0.374 25436 3793 1 7 . 1 1 42 42 LYS C C 42 176.535 176.535 176.285 0.250 25436 3794 1 7 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.671 2.461 25436 3795 1 7 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.639 0.317 25436 3796 1 7 . 1 1 42 42 LYS H H 42 8.037 8.037 8.282 -0.245 25436 3797 1 7 . 1 1 43 43 ILE N N 43 127.134 127.134 127.036 0.098 25436 3798 1 7 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.381 -0.355 25436 3799 1 7 . 1 1 43 43 ILE C C 43 176.992 176.992 176.010 0.982 25436 3800 1 7 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.868 -0.472 25436 3801 1 7 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.720 0.147 25436 3802 1 7 . 1 1 43 43 ILE H H 43 8.720 8.720 8.518 0.202 25436 3803 1 7 . 1 1 44 44 VAL N N 44 121.988 121.988 120.835 1.153 25436 3804 1 7 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.504 -0.136 25436 3805 1 7 . 1 1 44 44 VAL C C 44 176.854 176.854 174.595 2.259 25436 3806 1 7 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.775 1.110 25436 3807 1 7 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.950 -0.478 25436 3808 1 7 . 1 1 44 44 VAL H H 44 8.707 8.707 8.905 -0.198 25436 3809 1 7 . 1 1 45 45 GLY N N 45 109.497 109.497 106.559 2.938 25436 3810 1 7 . 1 1 45 45 GLY C C 45 171.265 171.265 171.664 -0.399 25436 3811 1 7 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.462 -0.445 25436 3812 1 7 . 1 1 45 45 GLY H H 45 7.541 7.541 7.459 0.082 25436 3813 1 7 . 1 1 46 46 CYS N N 46 124.565 124.565 121.690 2.875 25436 3814 1 7 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.182 -0.171 25436 3815 1 7 . 1 1 46 46 CYS C C 46 172.072 172.072 172.223 -0.151 25436 3816 1 7 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.364 0.620 25436 3817 1 7 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.548 -2.219 25436 3818 1 7 . 1 1 46 46 CYS H H 46 8.983 8.983 8.747 0.236 25436 3819 1 7 . 1 1 47 47 SER N N 47 122.911 122.911 118.196 4.715 25436 3820 1 7 . 1 1 47 47 SER HA H 47 4.906 4.906 4.776 0.130 25436 3821 1 7 . 1 1 47 47 SER C C 47 171.848 171.848 171.743 0.105 25436 3822 1 7 . 1 1 47 47 SER CA C 47 56.487 56.487 57.273 -0.786 25436 3823 1 7 . 1 1 47 47 SER CB C 47 65.679 65.679 65.281 0.398 25436 3824 1 7 . 1 1 47 47 SER H H 47 8.568 8.568 8.990 -0.422 25436 3825 1 7 . 1 1 48 48 VAL N N 48 121.488 121.488 121.165 0.323 25436 3826 1 7 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.158 -0.016 25436 3827 1 7 . 1 1 48 48 VAL C C 48 173.990 173.990 173.490 0.500 25436 3828 1 7 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.116 1.131 25436 3829 1 7 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.260 -1.393 25436 3830 1 7 . 1 1 48 48 VAL H H 48 8.588 8.588 8.100 0.488 25436 3831 1 7 . 1 1 49 49 HIS N N 49 130.227 130.227 124.981 5.246 25436 3832 1 7 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.746 -0.337 25436 3833 1 7 . 1 1 49 49 HIS C C 49 173.949 173.949 173.688 0.261 25436 3834 1 7 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.228 0.438 25436 3835 1 7 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.962 -0.845 25436 3836 1 7 . 1 1 49 49 HIS H H 49 8.380 8.380 8.554 -0.174 25436 3837 1 7 . 1 1 50 50 LYS N N 50 121.171 121.171 119.665 1.506 25436 3838 1 7 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.927 0.507 25436 3839 1 7 . 1 1 50 50 LYS C C 50 175.527 175.527 177.343 -1.816 25436 3840 1 7 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.758 -0.840 25436 3841 1 7 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.649 -2.228 25436 3842 1 7 . 1 1 50 50 LYS H H 50 7.717 7.717 8.152 -0.435 25436 3843 1 7 . 1 1 51 51 GLY N N 51 113.993 113.993 111.374 2.619 25436 3844 1 7 . 1 1 51 51 GLY C C 51 174.252 174.252 173.116 1.136 25436 3845 1 7 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.369 -0.962 25436 3846 1 7 . 1 1 51 51 GLY H H 51 9.404 9.404 8.841 0.563 25436 3847 1 7 . 1 1 52 52 PHE N N 52 112.326 112.326 114.716 -2.390 25436 3848 1 7 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.600 -0.308 25436 3849 1 7 . 1 1 52 52 PHE C C 52 171.605 171.605 172.989 -1.384 25436 3850 1 7 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.350 0.904 25436 3851 1 7 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.441 -0.400 25436 3852 1 7 . 1 1 52 52 PHE H H 52 7.006 7.006 7.094 -0.088 25436 3853 1 7 . 1 1 53 53 ALA N N 53 119.722 119.722 119.258 0.464 25436 3854 1 7 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.769 0.039 25436 3855 1 7 . 1 1 53 53 ALA C C 53 173.029 173.029 174.529 -1.500 25436 3856 1 7 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.039 -0.743 25436 3857 1 7 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.424 2.375 25436 3858 1 7 . 1 1 53 53 ALA H H 53 8.677 8.677 8.490 0.187 25436 3859 1 7 . 1 1 54 54 PHE N N 54 112.104 112.104 116.046 -3.942 25436 3860 1 7 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.719 -0.139 25436 3861 1 7 . 1 1 54 54 PHE C C 54 175.794 175.794 174.226 1.568 25436 3862 1 7 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.998 -0.284 25436 3863 1 7 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.573 -0.287 25436 3864 1 7 . 1 1 54 54 PHE H H 54 8.797 8.797 8.966 -0.169 25436 3865 1 7 . 1 1 55 55 VAL N N 55 118.542 118.542 120.632 -2.090 25436 3866 1 7 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.423 -0.210 25436 3867 1 7 . 1 1 55 55 VAL C C 55 172.806 172.806 173.741 -0.935 25436 3868 1 7 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.176 0.752 25436 3869 1 7 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.904 -0.984 25436 3870 1 7 . 1 1 55 55 VAL H H 55 8.295 8.295 8.647 -0.352 25436 3871 1 7 . 1 1 56 56 GLN N N 56 128.473 128.473 124.623 3.850 25436 3872 1 7 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.818 -0.248 25436 3873 1 7 . 1 1 56 56 GLN C C 56 173.893 173.893 174.377 -0.484 25436 3874 1 7 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.981 0.283 25436 3875 1 7 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.944 1.126 25436 3876 1 7 . 1 1 56 56 GLN H H 56 9.263 9.263 8.891 0.372 25436 3877 1 7 . 1 1 57 57 TYR N N 57 127.679 127.679 125.718 1.961 25436 3878 1 7 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.289 -0.002 25436 3879 1 7 . 1 1 57 57 TYR C C 57 175.609 175.609 176.590 -0.981 25436 3880 1 7 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.559 1.109 25436 3881 1 7 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.060 -0.026 25436 3882 1 7 . 1 1 57 57 TYR H H 57 8.928 8.928 8.996 -0.068 25436 3883 1 7 . 1 1 58 58 VAL N N 58 116.710 116.710 118.205 -1.495 25436 3884 1 7 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.972 0.143 25436 3885 1 7 . 1 1 58 58 VAL C C 58 175.859 175.859 175.091 0.768 25436 3886 1 7 . 1 1 58 58 VAL CA C 58 64.058 64.058 63.941 0.116 25436 3887 1 7 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.371 0.642 25436 3888 1 7 . 1 1 58 58 VAL H H 58 9.479 9.479 8.641 0.838 25436 3889 1 7 . 1 1 59 59 ASN N N 59 112.455 112.455 113.930 -1.475 25436 3890 1 7 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.819 0.340 25436 3891 1 7 . 1 1 59 59 ASN C C 59 174.482 174.482 175.758 -1.276 25436 3892 1 7 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.546 0.396 25436 3893 1 7 . 1 1 59 59 ASN CB C 59 42.192 42.192 39.535 2.657 25436 3894 1 7 . 1 1 59 59 ASN H H 59 7.218 7.218 7.443 -0.225 25436 3895 1 7 . 1 1 60 60 GLU N N 60 124.337 124.337 121.627 2.710 25436 3896 1 7 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.324 -0.005 25436 3897 1 7 . 1 1 60 60 GLU C C 60 178.201 178.201 177.882 0.319 25436 3898 1 7 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.455 -0.715 25436 3899 1 7 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.836 0.521 25436 3900 1 7 . 1 1 60 60 GLU H H 60 8.808 8.808 8.941 -0.133 25436 3901 1 7 . 1 1 61 61 ARG N N 61 118.265 118.265 119.921 -1.656 25436 3902 1 7 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.045 -0.048 25436 3903 1 7 . 1 1 61 61 ARG C C 61 179.340 179.340 178.610 0.730 25436 3904 1 7 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.596 0.883 25436 3905 1 7 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.330 0.024 25436 3906 1 7 . 1 1 61 61 ARG H H 61 8.630 8.630 7.795 0.835 25436 3907 1 7 . 1 1 62 62 ASN N N 62 118.081 118.081 118.041 0.040 25436 3908 1 7 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.281 -0.001 25436 3909 1 7 . 1 1 62 62 ASN C C 62 174.851 174.851 176.778 -1.927 25436 3910 1 7 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.240 0.212 25436 3911 1 7 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.296 0.722 25436 3912 1 7 . 1 1 62 62 ASN H H 62 7.785 7.785 8.897 -1.112 25436 3913 1 7 . 1 1 63 63 ALA N N 63 119.543 119.543 123.153 -3.610 25436 3914 1 7 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.454 -0.698 25436 3915 1 7 . 1 1 63 63 ALA C C 63 178.861 178.861 179.422 -0.561 25436 3916 1 7 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.165 -0.204 25436 3917 1 7 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.796 -0.256 25436 3918 1 7 . 1 1 63 63 ALA H H 63 6.779 6.779 7.443 -0.664 25436 3919 1 7 . 1 1 64 64 ARG N N 64 114.965 114.965 118.146 -3.181 25436 3920 1 7 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.143 -0.301 25436 3921 1 7 . 1 1 64 64 ARG C C 64 179.775 179.775 178.629 1.146 25436 3922 1 7 . 1 1 64 64 ARG CA C 64 60.190 60.190 58.720 1.470 25436 3923 1 7 . 1 1 64 64 ARG CB C 64 29.313 29.313 30.174 -0.861 25436 3924 1 7 . 1 1 64 64 ARG H H 64 8.755 8.755 8.078 0.677 25436 3925 1 7 . 1 1 65 65 ALA N N 65 123.704 123.704 122.444 1.260 25436 3926 1 7 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.132 -0.002 25436 3927 1 7 . 1 1 65 65 ALA C C 65 179.560 179.560 178.398 1.162 25436 3928 1 7 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.874 0.104 25436 3929 1 7 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.343 -0.451 25436 3930 1 7 . 1 1 65 65 ALA H H 65 7.823 7.823 7.541 0.282 25436 3931 1 7 . 1 1 66 66 ALA N N 66 123.797 123.797 118.800 4.997 25436 3932 1 7 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.472 -1.396 25436 3933 1 7 . 1 1 66 66 ALA C C 66 179.259 179.259 179.282 -0.023 25436 3934 1 7 . 1 1 66 66 ALA CA C 66 54.288 54.288 53.962 0.326 25436 3935 1 7 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.192 0.083 25436 3936 1 7 . 1 1 66 66 ALA H H 66 7.545 7.545 7.483 0.062 25436 3937 1 7 . 1 1 67 67 VAL N N 67 116.549 116.549 117.915 -1.366 25436 3938 1 7 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.808 -0.454 25436 3939 1 7 . 1 1 67 67 VAL C C 67 177.744 177.744 176.353 1.391 25436 3940 1 7 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.018 0.515 25436 3941 1 7 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.667 0.302 25436 3942 1 7 . 1 1 67 67 VAL H H 67 7.619 7.619 8.385 -0.766 25436 3943 1 7 . 1 1 68 68 ALA N N 68 118.193 118.193 119.595 -1.402 25436 3944 1 7 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.422 -0.295 25436 3945 1 7 . 1 1 68 68 ALA C C 68 180.748 180.748 177.927 2.821 25436 3946 1 7 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.780 1.581 25436 3947 1 7 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.318 -1.190 25436 3948 1 7 . 1 1 68 68 ALA H H 68 7.550 7.550 7.394 0.156 25436 3949 1 7 . 1 1 69 69 GLY N N 69 103.773 103.773 106.584 -2.811 25436 3950 1 7 . 1 1 69 69 GLY C C 69 175.626 175.626 175.387 0.239 25436 3951 1 7 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.515 0.611 25436 3952 1 7 . 1 1 69 69 GLY H H 69 8.140 8.140 7.463 0.677 25436 3953 1 7 . 1 1 70 70 GLU N N 70 114.547 114.547 118.109 -3.562 25436 3954 1 7 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.381 0.255 25436 3955 1 7 . 1 1 70 70 GLU C C 70 176.391 176.391 175.218 1.173 25436 3956 1 7 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.463 -0.304 25436 3957 1 7 . 1 1 70 70 GLU CB C 70 31.265 31.265 30.999 0.266 25436 3958 1 7 . 1 1 70 70 GLU H H 70 7.654 7.654 7.907 -0.253 25436 3959 1 7 . 1 1 71 71 ASP N N 71 118.202 118.202 120.369 -2.167 25436 3960 1 7 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.315 -0.028 25436 3961 1 7 . 1 1 71 71 ASP C C 71 178.698 178.698 177.749 0.949 25436 3962 1 7 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.063 1.468 25436 3963 1 7 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.964 0.407 25436 3964 1 7 . 1 1 71 71 ASP H H 71 8.020 8.020 7.521 0.499 25436 3965 1 7 . 1 1 72 72 GLY N N 72 114.301 114.301 113.229 1.072 25436 3966 1 7 . 1 1 72 72 GLY C C 72 173.791 173.791 174.085 -0.294 25436 3967 1 7 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.043 0.716 25436 3968 1 7 . 1 1 72 72 GLY H H 72 8.305 8.305 8.262 0.043 25436 3969 1 7 . 1 1 73 73 ARG N N 73 121.994 121.994 118.606 3.388 25436 3970 1 7 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.602 -0.407 25436 3971 1 7 . 1 1 73 73 ARG C C 73 175.187 175.187 174.713 0.474 25436 3972 1 7 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.364 2.138 25436 3973 1 7 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.877 -0.625 25436 3974 1 7 . 1 1 73 73 ARG H H 73 7.980 7.980 7.774 0.206 25436 3975 1 7 . 1 1 74 74 MET N N 74 125.081 125.081 122.606 2.475 25436 3976 1 7 . 1 1 74 74 MET HA H 74 4.823 4.823 5.206 -0.383 25436 3977 1 7 . 1 1 74 74 MET C C 74 175.726 175.726 174.943 0.783 25436 3978 1 7 . 1 1 74 74 MET CA C 74 55.029 55.029 55.161 -0.132 25436 3979 1 7 . 1 1 74 74 MET CB C 74 33.092 33.092 34.503 -1.411 25436 3980 1 7 . 1 1 74 74 MET H H 74 8.712 8.712 8.434 0.278 25436 3981 1 7 . 1 1 75 75 ILE N N 75 127.490 127.490 125.444 2.046 25436 3982 1 7 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.480 -0.098 25436 3983 1 7 . 1 1 75 75 ILE C C 75 175.276 175.276 175.498 -0.222 25436 3984 1 7 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.872 -1.068 25436 3985 1 7 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.176 -0.780 25436 3986 1 7 . 1 1 75 75 ILE H H 75 8.589 8.589 8.951 -0.362 25436 3987 1 7 . 1 1 76 76 ALA N N 76 132.147 132.147 127.607 4.540 25436 3988 1 7 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.038 0.000 25436 3989 1 7 . 1 1 76 76 ALA C C 76 177.205 177.205 177.721 -0.516 25436 3990 1 7 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.085 -1.151 25436 3991 1 7 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.013 0.135 25436 3992 1 7 . 1 1 76 76 ALA H H 76 9.547 9.547 8.967 0.580 25436 3993 1 7 . 1 1 77 77 GLY N N 77 101.695 101.695 101.844 -0.149 25436 3994 1 7 . 1 1 77 77 GLY C C 77 174.205 174.205 174.154 0.051 25436 3995 1 7 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.931 0.832 25436 3996 1 7 . 1 1 77 77 GLY H H 77 8.445 8.445 8.329 0.116 25436 3997 1 7 . 1 1 78 78 GLN N N 78 119.020 119.020 118.635 0.385 25436 3998 1 7 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.720 0.009 25436 3999 1 7 . 1 1 78 78 GLN C C 78 174.046 174.046 174.208 -0.162 25436 4000 1 7 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.152 0.043 25436 4001 1 7 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.970 -1.081 25436 4002 1 7 . 1 1 78 78 GLN H H 78 7.720 7.720 7.910 -0.190 25436 4003 1 7 . 1 1 79 79 VAL N N 79 123.374 123.374 121.445 1.929 25436 4004 1 7 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.951 -0.939 25436 4005 1 7 . 1 1 79 79 VAL C C 79 176.347 176.347 175.633 0.714 25436 4006 1 7 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.269 1.386 25436 4007 1 7 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.021 -0.937 25436 4008 1 7 . 1 1 79 79 VAL H H 79 8.532 8.532 8.398 0.134 25436 4009 1 7 . 1 1 80 80 LEU N N 80 128.569 128.569 123.434 5.135 25436 4010 1 7 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.932 -0.645 25436 4011 1 7 . 1 1 80 80 LEU C C 80 176.521 176.521 175.466 1.055 25436 4012 1 7 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.109 3.954 25436 4013 1 7 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.013 -0.192 25436 4014 1 7 . 1 1 80 80 LEU H H 80 9.014 9.014 8.291 0.723 25436 4015 1 7 . 1 1 81 81 ASP N N 81 124.359 124.359 122.826 1.533 25436 4016 1 7 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.209 0.016 25436 4017 1 7 . 1 1 81 81 ASP C C 81 174.659 174.659 175.644 -0.985 25436 4018 1 7 . 1 1 81 81 ASP CA C 81 52.955 52.955 54.550 -1.595 25436 4019 1 7 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.788 0.883 25436 4020 1 7 . 1 1 81 81 ASP H H 81 7.850 7.850 8.429 -0.579 25436 4021 1 7 . 1 1 82 82 ILE N N 82 123.155 123.155 124.571 -1.416 25436 4022 1 7 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.893 0.509 25436 4023 1 7 . 1 1 82 82 ILE C C 82 174.520 174.520 175.391 -0.871 25436 4024 1 7 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.118 -0.887 25436 4025 1 7 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.786 1.177 25436 4026 1 7 . 1 1 82 82 ILE H H 82 9.086 9.086 8.665 0.421 25436 4027 1 7 . 1 1 83 83 ASN N N 83 116.417 116.417 122.167 -5.750 25436 4028 1 7 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.940 -0.093 25436 4029 1 7 . 1 1 83 83 ASN C C 83 174.565 174.565 173.665 0.900 25436 4030 1 7 . 1 1 83 83 ASN CA C 83 53.048 53.048 51.883 1.165 25436 4031 1 7 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.237 0.873 25436 4032 1 7 . 1 1 83 83 ASN H H 83 8.495 8.495 8.639 -0.144 25436 4033 1 7 . 1 1 84 84 LEU N N 84 123.786 123.786 122.664 1.122 25436 4034 1 7 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.425 0.297 25436 4035 1 7 . 1 1 84 84 LEU C C 84 180.968 180.968 178.532 2.436 25436 4036 1 7 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.091 0.209 25436 4037 1 7 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.795 -1.479 25436 4038 1 7 . 1 1 84 84 LEU H H 84 9.427 9.427 8.735 0.692 25436 4039 1 7 . 1 1 85 85 ALA N N 85 127.571 127.571 127.016 0.555 25436 4040 1 7 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.381 -0.333 25436 4041 1 7 . 1 1 85 85 ALA C C 85 177.931 177.931 176.749 1.182 25436 4042 1 7 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.101 2.195 25436 4043 1 7 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.117 -1.165 25436 4044 1 7 . 1 1 85 85 ALA H H 85 9.295 9.295 8.309 0.986 25436 4045 1 7 . 1 1 86 86 ALA N N 86 115.985 115.985 118.917 -2.932 25436 4046 1 7 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.435 -0.024 25436 4047 1 7 . 1 1 86 86 ALA C C 86 176.152 176.152 176.329 -0.177 25436 4048 1 7 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.711 0.061 25436 4049 1 7 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.742 -0.417 25436 4050 1 7 . 1 1 86 86 ALA H H 86 8.657 8.657 8.205 0.452 25436 4051 1 7 . 1 1 87 87 GLU N N 87 118.975 118.975 118.884 0.091 25436 4052 1 7 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.737 -0.002 25436 4053 1 7 . 1 1 87 87 GLU C C 87 171.676 171.676 174.407 -2.731 25436 4054 1 7 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.266 -0.118 25436 4055 1 7 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.205 0.711 25436 4056 1 7 . 1 1 87 87 GLU H H 87 7.913 7.913 7.690 0.223 25436 4057 1 7 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.482 -0.135 25436 4058 1 7 . 1 1 88 88 PRO C C 88 177.303 177.303 176.668 0.635 25436 4059 1 7 . 1 1 88 88 PRO CA C 88 62.878 62.878 62.549 0.329 25436 4060 1 7 . 1 1 88 88 PRO CB C 88 31.902 31.902 31.360 0.542 25436 4061 1 7 . 1 1 89 89 LYS N N 89 121.335 121.335 118.141 3.194 25436 4062 1 7 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.207 0.033 25436 4063 1 7 . 1 1 89 89 LYS C C 89 177.689 177.689 176.601 1.088 25436 4064 1 7 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.767 -0.017 25436 4065 1 7 . 1 1 89 89 LYS CB C 89 33.436 33.436 31.875 1.561 25436 4066 1 7 . 1 1 89 89 LYS H H 89 8.020 8.020 7.608 0.412 25436 4067 1 7 . 1 1 90 90 VAL N N 90 120.786 120.786 120.200 0.586 25436 4068 1 7 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.207 -0.285 25436 4069 1 7 . 1 1 90 90 VAL C C 90 176.169 176.169 175.920 0.249 25436 4070 1 7 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.964 2.334 25436 4071 1 7 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.797 -1.530 25436 4072 1 7 . 1 1 90 90 VAL H H 90 8.232 8.232 7.571 0.661 25436 4073 1 7 . 1 1 91 91 ASN N N 91 119.214 119.214 120.817 -1.603 25436 4074 1 7 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.592 0.067 25436 4075 1 7 . 1 1 91 91 ASN C C 91 175.172 175.172 175.939 -0.767 25436 4076 1 7 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.755 -0.727 25436 4077 1 7 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.475 -0.306 25436 4078 1 7 . 1 1 91 91 ASN H H 91 8.453 8.453 8.583 -0.130 25436 4079 1 7 . 1 1 92 92 ARG N N 92 120.709 120.709 117.288 3.421 25436 4080 1 7 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.130 0.124 25436 4081 1 7 . 1 1 92 92 ARG C C 92 176.991 176.991 177.194 -0.203 25436 4082 1 7 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.751 -0.251 25436 4083 1 7 . 1 1 92 92 ARG CB C 92 30.607 30.607 29.989 0.618 25436 4084 1 7 . 1 1 92 92 ARG H H 92 7.925 7.925 8.098 -0.173 25436 4085 1 7 . 1 1 93 93 GLY N N 93 110.299 110.299 104.660 5.639 25436 4086 1 7 . 1 1 93 93 GLY C C 93 174.245 174.245 173.699 0.546 25436 4087 1 7 . 1 1 93 93 GLY CA C 93 45.416 45.416 45.570 -0.154 25436 4088 1 7 . 1 1 93 93 GLY H H 93 8.593 8.593 8.182 0.411 25436 4089 1 7 . 1 1 94 94 LYS N N 94 120.781 120.781 119.695 1.086 25436 4090 1 7 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.822 0.472 25436 4091 1 7 . 1 1 94 94 LYS C C 94 176.524 176.524 175.779 0.745 25436 4092 1 7 . 1 1 94 94 LYS CA C 94 56.107 56.107 56.538 -0.431 25436 4093 1 7 . 1 1 94 94 LYS CB C 94 33.140 33.140 32.375 0.765 25436 4094 1 7 . 1 1 94 94 LYS H H 94 8.126 8.126 8.379 -0.253 25436 4095 1 7 . 1 1 95 95 ALA N N 95 125.012 125.012 122.468 2.544 25436 4096 1 7 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.108 0.191 25436 4097 1 7 . 1 1 95 95 ALA C C 95 178.324 178.324 178.259 0.065 25436 4098 1 7 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.733 0.068 25436 4099 1 7 . 1 1 95 95 ALA CB C 95 19.178 19.178 19.099 0.079 25436 4100 1 7 . 1 1 95 95 ALA H H 95 8.435 8.435 8.438 -0.003 25436 4101 1 7 . 1 1 96 96 GLY N N 96 108.312 108.312 104.379 3.933 25436 4102 1 7 . 1 1 96 96 GLY C C 96 174.095 174.095 175.587 -1.492 25436 4103 1 7 . 1 1 96 96 GLY CA C 96 45.282 45.282 45.737 -0.455 25436 4104 1 7 . 1 1 96 96 GLY H H 96 8.414 8.414 8.739 -0.325 25436 4105 1 7 . 1 1 97 97 VAL N N 97 119.818 119.818 118.830 0.988 25436 4106 1 7 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.958 0.114 25436 4107 1 7 . 1 1 97 97 VAL C C 97 176.155 176.155 176.658 -0.503 25436 4108 1 7 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.672 -1.328 25436 4109 1 7 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.453 1.304 25436 4110 1 7 . 1 1 97 97 VAL H H 97 7.919 7.919 7.859 0.060 25436 4111 1 7 . 1 1 98 98 LYS N N 98 125.912 125.912 120.379 5.533 25436 4112 1 7 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.355 -0.022 25436 4113 1 7 . 1 1 98 98 LYS C C 98 176.426 176.426 176.195 0.231 25436 4114 1 7 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.830 0.339 25436 4115 1 7 . 1 1 98 98 LYS CB C 98 33.048 33.048 33.017 0.031 25436 4116 1 7 . 1 1 98 98 LYS H H 98 8.466 8.466 7.540 0.926 25436 4117 1 7 . 1 1 99 99 ARG N N 99 123.544 123.544 119.771 3.773 25436 4118 1 7 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.629 -0.260 25436 4119 1 7 . 1 1 99 99 ARG C C 99 176.230 176.230 176.102 0.128 25436 4120 1 7 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.071 0.923 25436 4121 1 7 . 1 1 99 99 ARG CB C 99 31.164 31.164 32.020 -0.856 25436 4122 1 7 . 1 1 99 99 ARG H H 99 8.468 8.468 8.499 -0.031 25436 4123 1 7 . 1 1 100 100 SER N N 100 117.781 117.781 115.911 1.870 25436 4124 1 7 . 1 1 100 100 SER HA H 100 4.452 4.452 4.494 -0.042 25436 4125 1 7 . 1 1 100 100 SER C C 100 174.555 174.555 176.682 -2.127 25436 4126 1 7 . 1 1 100 100 SER CA C 100 58.036 58.036 57.086 0.951 25436 4127 1 7 . 1 1 100 100 SER CB C 100 64.139 64.139 64.305 -0.166 25436 4128 1 7 . 1 1 100 100 SER H H 100 8.507 8.507 8.697 -0.190 25436 4129 1 7 . 1 1 101 101 ALA N N 101 126.090 126.090 129.449 -3.359 25436 4130 1 7 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.195 0.075 25436 4131 1 7 . 1 1 101 101 ALA C C 101 178.046 178.046 177.338 0.708 25436 4132 1 7 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.162 -0.892 25436 4133 1 7 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.270 0.762 25436 4134 1 7 . 1 1 101 101 ALA H H 101 8.529 8.529 8.792 -0.263 25436 4135 1 7 . 1 1 102 102 ALA N N 102 121.750 121.750 119.381 2.369 25436 4136 1 7 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.351 -0.124 25436 4137 1 7 . 1 1 102 102 ALA C C 102 178.253 178.253 177.770 0.483 25436 4138 1 7 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.581 0.414 25436 4139 1 7 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.889 -0.811 25436 4140 1 7 . 1 1 102 102 ALA H H 102 8.219 8.219 7.665 0.554 25436 4141 1 7 . 1 1 103 103 GLU N N 103 118.819 118.819 118.102 0.717 25436 4142 1 7 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.713 -0.511 25436 4143 1 7 . 1 1 103 103 GLU C C 103 176.515 176.515 176.011 0.504 25436 4144 1 7 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.317 1.352 25436 4145 1 7 . 1 1 103 103 GLU CB C 103 30.162 30.162 31.186 -1.024 25436 4146 1 7 . 1 1 103 103 GLU H H 103 8.100 8.100 7.932 0.168 25436 4147 1 7 . 1 1 104 104 MET N N 104 120.178 120.178 120.391 -0.213 25436 4148 1 7 . 1 1 104 104 MET HA H 104 4.332 4.332 4.461 -0.129 25436 4149 1 7 . 1 1 104 104 MET C C 104 175.861 175.861 176.397 -0.536 25436 4150 1 7 . 1 1 104 104 MET CA C 104 55.869 55.869 55.898 -0.029 25436 4151 1 7 . 1 1 104 104 MET CB C 104 32.993 32.993 32.350 0.643 25436 4152 1 7 . 1 1 104 104 MET H H 104 8.086 8.086 7.804 0.282 25436 4153 1 7 . 1 1 105 105 TYR N N 105 120.369 120.369 117.501 2.868 25436 4154 1 7 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.155 0.497 25436 4155 1 7 . 1 1 105 105 TYR C C 105 175.318 175.318 175.987 -0.669 25436 4156 1 7 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.244 -0.659 25436 4157 1 7 . 1 1 105 105 TYR CB C 105 38.891 38.891 36.564 2.327 25436 4158 1 7 . 1 1 105 105 TYR H H 105 8.137 8.137 8.775 -0.638 25436 4159 1 8 . 1 1 3 3 SER HA H 3 4.564 4.564 4.358 0.206 25436 4160 1 8 . 1 1 3 3 SER C C 3 173.407 173.407 174.807 -1.400 25436 4161 1 8 . 1 1 3 3 SER CA C 3 58.309 58.309 58.854 -0.545 25436 4162 1 8 . 1 1 3 3 SER CB C 3 63.980 63.980 63.698 0.282 25436 4163 1 8 . 1 1 4 4 ASN N N 4 120.204 120.204 118.921 1.283 25436 4164 1 8 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.034 0.183 25436 4165 1 8 . 1 1 4 4 ASN C C 4 176.242 176.242 174.239 2.003 25436 4166 1 8 . 1 1 4 4 ASN CA C 4 53.035 53.035 51.908 1.127 25436 4167 1 8 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.326 0.389 25436 4168 1 8 . 1 1 4 4 ASN H H 4 8.783 8.783 8.638 0.145 25436 4169 1 8 . 1 1 5 5 VAL N N 5 122.598 122.598 119.568 3.030 25436 4170 1 8 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.281 -0.511 25436 4171 1 8 . 1 1 5 5 VAL C C 5 177.222 177.222 175.343 1.879 25436 4172 1 8 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.492 4.314 25436 4173 1 8 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.089 -3.234 25436 4174 1 8 . 1 1 5 5 VAL H H 5 8.326 8.326 7.461 0.865 25436 4175 1 8 . 1 1 6 6 THR N N 6 118.450 118.450 115.739 2.711 25436 4176 1 8 . 1 1 6 6 THR HA H 6 4.682 4.682 4.514 0.168 25436 4177 1 8 . 1 1 6 6 THR C C 6 174.349 174.349 173.710 0.639 25436 4178 1 8 . 1 1 6 6 THR CA C 6 60.542 60.542 61.031 -0.488 25436 4179 1 8 . 1 1 6 6 THR CB C 6 69.771 69.771 70.133 -0.362 25436 4180 1 8 . 1 1 6 6 THR H H 6 9.391 9.391 8.362 1.029 25436 4181 1 8 . 1 1 7 7 ASN N N 7 120.847 120.847 119.565 1.282 25436 4182 1 8 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.531 0.024 25436 4183 1 8 . 1 1 7 7 ASN C C 7 176.863 176.863 174.369 2.494 25436 4184 1 8 . 1 1 7 7 ASN CA C 7 51.909 51.909 53.157 -1.248 25436 4185 1 8 . 1 1 7 7 ASN CB C 7 38.059 38.059 38.899 -0.840 25436 4186 1 8 . 1 1 7 7 ASN H H 7 7.970 7.970 7.827 0.143 25436 4187 1 8 . 1 1 8 8 LYS N N 8 121.736 121.736 115.395 6.341 25436 4188 1 8 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.055 0.199 25436 4189 1 8 . 1 1 8 8 LYS C C 8 180.141 180.141 176.094 4.047 25436 4190 1 8 . 1 1 8 8 LYS CA C 8 58.221 58.221 57.595 0.626 25436 4191 1 8 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.354 -0.064 25436 4192 1 8 . 1 1 8 8 LYS H H 8 8.577 8.577 8.347 0.230 25436 4193 1 8 . 1 1 9 9 THR N N 9 110.800 110.800 109.344 1.456 25436 4194 1 8 . 1 1 9 9 THR HA H 9 4.467 4.467 4.372 0.095 25436 4195 1 8 . 1 1 9 9 THR C C 9 174.484 174.484 173.394 1.090 25436 4196 1 8 . 1 1 9 9 THR CA C 9 61.242 61.242 61.165 0.077 25436 4197 1 8 . 1 1 9 9 THR CB C 9 69.009 69.009 69.373 -0.363 25436 4198 1 8 . 1 1 9 9 THR H H 9 8.695 8.695 8.350 0.345 25436 4199 1 8 . 1 1 10 10 ASP N N 10 120.937 120.937 123.792 -2.855 25436 4200 1 8 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.785 0.038 25436 4201 1 8 . 1 1 10 10 ASP C C 10 173.945 173.945 176.613 -2.668 25436 4202 1 8 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.946 -1.460 25436 4203 1 8 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.714 -2.164 25436 4204 1 8 . 1 1 10 10 ASP H H 10 7.908 7.908 8.043 -0.135 25436 4205 1 8 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.398 -0.248 25436 4206 1 8 . 1 1 11 11 PRO C C 11 178.420 178.420 176.500 1.920 25436 4207 1 8 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.762 1.451 25436 4208 1 8 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.026 0.129 25436 4209 1 8 . 1 1 12 12 ARG N N 12 116.349 116.349 113.590 2.759 25436 4210 1 8 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.799 -0.704 25436 4211 1 8 . 1 1 12 12 ARG C C 12 180.445 180.445 176.311 4.134 25436 4212 1 8 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.222 3.349 25436 4213 1 8 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.601 -0.366 25436 4214 1 8 . 1 1 12 12 ARG H H 12 7.944 7.944 7.951 -0.007 25436 4215 1 8 . 1 1 13 13 SER N N 13 119.401 119.401 114.707 4.694 25436 4216 1 8 . 1 1 13 13 SER HA H 13 4.053 4.053 4.667 -0.614 25436 4217 1 8 . 1 1 13 13 SER C C 13 175.325 175.325 175.971 -0.646 25436 4218 1 8 . 1 1 13 13 SER CA C 13 61.500 61.500 59.123 2.377 25436 4219 1 8 . 1 1 13 13 SER CB C 13 61.798 61.798 64.039 -2.241 25436 4220 1 8 . 1 1 13 13 SER H H 13 8.152 8.152 7.641 0.511 25436 4221 1 8 . 1 1 14 14 MET N N 14 120.254 120.254 118.079 2.175 25436 4222 1 8 . 1 1 14 14 MET HA H 14 4.090 4.090 4.270 -0.180 25436 4223 1 8 . 1 1 14 14 MET C C 14 178.575 178.575 175.898 2.677 25436 4224 1 8 . 1 1 14 14 MET CA C 14 58.317 58.317 58.042 0.275 25436 4225 1 8 . 1 1 14 14 MET CB C 14 31.466 31.466 32.696 -1.230 25436 4226 1 8 . 1 1 14 14 MET H H 14 8.241 8.241 7.964 0.277 25436 4227 1 8 . 1 1 15 15 ASN N N 15 115.299 115.299 109.236 6.063 25436 4228 1 8 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.874 -0.248 25436 4229 1 8 . 1 1 15 15 ASN C C 15 172.554 172.554 175.164 -2.610 25436 4230 1 8 . 1 1 15 15 ASN CA C 15 54.060 54.060 52.747 1.313 25436 4231 1 8 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.238 -0.442 25436 4232 1 8 . 1 1 15 15 ASN H H 15 7.962 7.962 8.216 -0.254 25436 4233 1 8 . 1 1 16 16 SER N N 16 106.079 106.079 113.464 -7.385 25436 4234 1 8 . 1 1 16 16 SER HA H 16 4.500 4.500 4.994 -0.494 25436 4235 1 8 . 1 1 16 16 SER C C 16 172.120 172.120 174.306 -2.186 25436 4236 1 8 . 1 1 16 16 SER CA C 16 56.814 56.814 57.924 -1.110 25436 4237 1 8 . 1 1 16 16 SER CB C 16 63.439 63.439 64.697 -1.258 25436 4238 1 8 . 1 1 16 16 SER H H 16 7.249 7.249 7.831 -0.582 25436 4239 1 8 . 1 1 17 17 ARG N N 17 123.335 123.335 121.428 1.907 25436 4240 1 8 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.210 0.375 25436 4241 1 8 . 1 1 17 17 ARG C C 17 174.490 174.490 174.597 -0.107 25436 4242 1 8 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.942 -0.578 25436 4243 1 8 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.330 -0.472 25436 4244 1 8 . 1 1 17 17 ARG H H 17 7.400 7.400 7.392 0.008 25436 4245 1 8 . 1 1 18 18 VAL N N 18 122.241 122.241 118.296 3.945 25436 4246 1 8 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.547 0.170 25436 4247 1 8 . 1 1 18 18 VAL C C 18 174.862 174.862 174.472 0.390 25436 4248 1 8 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.533 -0.810 25436 4249 1 8 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.814 -0.533 25436 4250 1 8 . 1 1 18 18 VAL H H 18 9.264 9.264 8.764 0.500 25436 4251 1 8 . 1 1 19 19 PHE N N 19 125.933 125.933 128.487 -2.554 25436 4252 1 8 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.225 0.241 25436 4253 1 8 . 1 1 19 19 PHE C C 19 171.966 171.966 173.674 -1.708 25436 4254 1 8 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.180 1.943 25436 4255 1 8 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.693 -0.748 25436 4256 1 8 . 1 1 19 19 PHE H H 19 9.162 9.162 9.085 0.077 25436 4257 1 8 . 1 1 20 20 ILE N N 20 126.425 126.425 126.909 -0.484 25436 4258 1 8 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.117 -0.248 25436 4259 1 8 . 1 1 20 20 ILE C C 20 173.048 173.048 174.335 -1.287 25436 4260 1 8 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.035 -0.705 25436 4261 1 8 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.444 0.591 25436 4262 1 8 . 1 1 20 20 ILE H H 20 7.723 7.723 8.053 -0.330 25436 4263 1 8 . 1 1 21 21 GLY N N 21 113.255 113.255 110.427 2.828 25436 4264 1 8 . 1 1 21 21 GLY C C 21 173.768 173.768 174.398 -0.630 25436 4265 1 8 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.218 0.712 25436 4266 1 8 . 1 1 21 21 GLY H H 21 8.498 8.498 7.980 0.518 25436 4267 1 8 . 1 1 22 22 ASN N N 22 116.172 116.172 115.082 1.090 25436 4268 1 8 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.310 0.119 25436 4269 1 8 . 1 1 22 22 ASN C C 22 174.204 174.204 174.529 -0.325 25436 4270 1 8 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.155 -0.637 25436 4271 1 8 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.283 0.492 25436 4272 1 8 . 1 1 22 22 ASN H H 22 7.227 7.227 8.379 -1.152 25436 4273 1 8 . 1 1 23 23 LEU N N 23 119.429 119.429 118.355 1.074 25436 4274 1 8 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.318 -0.375 25436 4275 1 8 . 1 1 23 23 LEU C C 23 176.550 176.550 176.924 -0.374 25436 4276 1 8 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.619 -2.042 25436 4277 1 8 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.174 1.194 25436 4278 1 8 . 1 1 23 23 LEU H H 23 7.110 7.110 7.441 -0.331 25436 4279 1 8 . 1 1 24 24 ASN N N 24 122.292 122.292 122.517 -0.225 25436 4280 1 8 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.557 0.515 25436 4281 1 8 . 1 1 24 24 ASN C C 24 175.830 175.830 176.003 -0.173 25436 4282 1 8 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.571 -4.070 25436 4283 1 8 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.863 -3.272 25436 4284 1 8 . 1 1 24 24 ASN H H 24 8.975 8.975 8.950 0.025 25436 4285 1 8 . 1 1 25 25 THR N N 25 118.371 118.371 106.880 11.491 25436 4286 1 8 . 1 1 25 25 THR HA H 25 4.411 4.411 3.938 0.473 25436 4287 1 8 . 1 1 25 25 THR C C 25 175.285 175.285 174.298 0.987 25436 4288 1 8 . 1 1 25 25 THR CA C 25 63.453 63.453 63.612 -0.159 25436 4289 1 8 . 1 1 25 25 THR CB C 25 67.150 67.150 68.001 -0.851 25436 4290 1 8 . 1 1 25 25 THR H H 25 8.466 8.466 8.096 0.370 25436 4291 1 8 . 1 1 26 26 LEU N N 26 121.017 121.017 117.586 3.431 25436 4292 1 8 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.442 -0.235 25436 4293 1 8 . 1 1 26 26 LEU C C 26 178.243 178.243 176.739 1.504 25436 4294 1 8 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.130 0.609 25436 4295 1 8 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.261 -1.129 25436 4296 1 8 . 1 1 26 26 LEU H H 26 7.583 7.583 7.873 -0.290 25436 4297 1 8 . 1 1 27 27 VAL N N 27 115.968 115.968 115.664 0.304 25436 4298 1 8 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.292 -0.267 25436 4299 1 8 . 1 1 27 27 VAL C C 27 175.199 175.199 175.873 -0.674 25436 4300 1 8 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.678 0.530 25436 4301 1 8 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.027 2.155 25436 4302 1 8 . 1 1 27 27 VAL H H 27 6.846 6.846 7.520 -0.674 25436 4303 1 8 . 1 1 28 28 VAL N N 28 121.753 121.753 121.668 0.085 25436 4304 1 8 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.978 -0.111 25436 4305 1 8 . 1 1 28 28 VAL C C 28 174.351 174.351 174.932 -0.581 25436 4306 1 8 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.602 0.578 25436 4307 1 8 . 1 1 28 28 VAL CB C 28 32.045 32.045 32.969 -0.924 25436 4308 1 8 . 1 1 28 28 VAL H H 28 8.389 8.389 7.734 0.655 25436 4309 1 8 . 1 1 29 29 LYS N N 29 124.108 124.108 121.691 2.417 25436 4310 1 8 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.526 0.102 25436 4311 1 8 . 1 1 29 29 LYS C C 29 177.958 177.958 176.447 1.511 25436 4312 1 8 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.892 -0.231 25436 4313 1 8 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.789 -0.333 25436 4314 1 8 . 1 1 29 29 LYS H H 29 8.929 8.929 8.097 0.832 25436 4315 1 8 . 1 1 30 30 LYS N N 30 123.352 123.352 121.840 1.512 25436 4316 1 8 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.916 -0.253 25436 4317 1 8 . 1 1 30 30 LYS C C 30 177.638 177.638 178.294 -0.656 25436 4318 1 8 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.636 2.764 25436 4319 1 8 . 1 1 30 30 LYS CB C 30 32.656 32.656 31.617 1.039 25436 4320 1 8 . 1 1 30 30 LYS H H 30 8.994 8.994 8.716 0.278 25436 4321 1 8 . 1 1 31 31 SER N N 31 111.491 111.491 108.518 2.973 25436 4322 1 8 . 1 1 31 31 SER HA H 31 4.175 4.175 4.760 -0.585 25436 4323 1 8 . 1 1 31 31 SER C C 31 177.616 177.616 174.799 2.817 25436 4324 1 8 . 1 1 31 31 SER CA C 31 61.402 61.402 58.715 2.687 25436 4325 1 8 . 1 1 31 31 SER CB C 31 61.541 61.541 62.986 -1.445 25436 4326 1 8 . 1 1 31 31 SER H H 31 8.686 8.686 8.100 0.586 25436 4327 1 8 . 1 1 32 32 ASP N N 32 122.114 122.114 122.649 -0.535 25436 4328 1 8 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.739 -0.215 25436 4329 1 8 . 1 1 32 32 ASP C C 32 178.193 178.193 178.562 -0.369 25436 4330 1 8 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.296 0.899 25436 4331 1 8 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.706 0.107 25436 4332 1 8 . 1 1 32 32 ASP H H 32 7.147 7.147 8.050 -0.903 25436 4333 1 8 . 1 1 33 33 VAL N N 33 120.064 120.064 120.173 -0.109 25436 4334 1 8 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.882 -0.414 25436 4335 1 8 . 1 1 33 33 VAL C C 33 178.623 178.623 177.059 1.564 25436 4336 1 8 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.300 1.037 25436 4337 1 8 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.410 -0.114 25436 4338 1 8 . 1 1 33 33 VAL H H 33 7.939 7.939 8.030 -0.091 25436 4339 1 8 . 1 1 34 34 GLU N N 34 118.713 118.713 115.851 2.862 25436 4340 1 8 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.159 -0.400 25436 4341 1 8 . 1 1 34 34 GLU C C 34 178.700 178.700 176.248 2.452 25436 4342 1 8 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.565 2.938 25436 4343 1 8 . 1 1 34 34 GLU CB C 34 29.330 29.330 28.845 0.485 25436 4344 1 8 . 1 1 34 34 GLU H H 34 8.641 8.641 7.861 0.780 25436 4345 1 8 . 1 1 35 35 ALA N N 35 121.519 121.519 120.182 1.337 25436 4346 1 8 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.542 -0.392 25436 4347 1 8 . 1 1 35 35 ALA C C 35 180.482 180.482 178.231 2.251 25436 4348 1 8 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.772 2.770 25436 4349 1 8 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.222 -2.165 25436 4350 1 8 . 1 1 35 35 ALA H H 35 7.818 7.818 7.674 0.144 25436 4351 1 8 . 1 1 36 36 ILE N N 36 117.410 117.410 118.119 -0.709 25436 4352 1 8 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.151 -0.483 25436 4353 1 8 . 1 1 36 36 ILE C C 36 178.664 178.664 176.459 2.205 25436 4354 1 8 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.980 1.810 25436 4355 1 8 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.375 0.410 25436 4356 1 8 . 1 1 36 36 ILE H H 36 7.778 7.778 7.605 0.173 25436 4357 1 8 . 1 1 37 37 PHE N N 37 113.502 113.502 116.969 -3.467 25436 4358 1 8 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.804 -0.441 25436 4359 1 8 . 1 1 37 37 PHE C C 37 179.622 179.622 177.513 2.109 25436 4360 1 8 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.705 3.998 25436 4361 1 8 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.305 -3.121 25436 4362 1 8 . 1 1 37 37 PHE H H 37 8.587 8.587 7.811 0.776 25436 4363 1 8 . 1 1 38 38 SER N N 38 122.010 122.010 115.406 6.604 25436 4364 1 8 . 1 1 38 38 SER HA H 38 4.819 4.819 4.667 0.152 25436 4365 1 8 . 1 1 38 38 SER C C 38 175.438 175.438 175.473 -0.035 25436 4366 1 8 . 1 1 38 38 SER CA C 38 61.462 61.462 59.789 1.673 25436 4367 1 8 . 1 1 38 38 SER CB C 38 62.737 62.737 62.893 -0.156 25436 4368 1 8 . 1 1 38 38 SER H H 38 8.827 8.827 8.653 0.174 25436 4369 1 8 . 1 1 39 39 LYS N N 39 119.345 119.345 117.515 1.830 25436 4370 1 8 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.174 -0.207 25436 4371 1 8 . 1 1 39 39 LYS C C 39 177.063 177.063 176.445 0.618 25436 4372 1 8 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.586 0.673 25436 4373 1 8 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.844 -0.282 25436 4374 1 8 . 1 1 39 39 LYS H H 39 7.057 7.057 8.025 -0.968 25436 4375 1 8 . 1 1 40 40 TYR N N 40 114.420 114.420 118.954 -4.534 25436 4376 1 8 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.570 -0.289 25436 4377 1 8 . 1 1 40 40 TYR C C 40 174.841 174.841 174.269 0.572 25436 4378 1 8 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.254 1.603 25436 4379 1 8 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.017 -1.656 25436 4380 1 8 . 1 1 40 40 TYR H H 40 6.956 6.956 7.690 -0.734 25436 4381 1 8 . 1 1 41 41 GLY N N 41 106.506 106.506 105.174 1.332 25436 4382 1 8 . 1 1 41 41 GLY C C 41 170.572 170.572 172.461 -1.889 25436 4383 1 8 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.124 -0.553 25436 4384 1 8 . 1 1 41 41 GLY H H 41 7.430 7.430 7.323 0.107 25436 4385 1 8 . 1 1 42 42 LYS N N 42 117.771 117.771 121.239 -3.468 25436 4386 1 8 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.556 -0.355 25436 4387 1 8 . 1 1 42 42 LYS C C 42 176.535 176.535 176.277 0.258 25436 4388 1 8 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.714 2.418 25436 4389 1 8 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.614 0.342 25436 4390 1 8 . 1 1 42 42 LYS H H 42 8.037 8.037 8.267 -0.230 25436 4391 1 8 . 1 1 43 43 ILE N N 43 127.134 127.134 127.048 0.086 25436 4392 1 8 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.405 -0.379 25436 4393 1 8 . 1 1 43 43 ILE C C 43 176.992 176.992 176.025 0.967 25436 4394 1 8 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.843 -0.447 25436 4395 1 8 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.725 0.142 25436 4396 1 8 . 1 1 43 43 ILE H H 43 8.720 8.720 8.480 0.240 25436 4397 1 8 . 1 1 44 44 VAL N N 44 121.988 121.988 120.807 1.181 25436 4398 1 8 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.501 -0.133 25436 4399 1 8 . 1 1 44 44 VAL C C 44 176.854 176.854 174.555 2.299 25436 4400 1 8 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.770 1.115 25436 4401 1 8 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.977 -0.505 25436 4402 1 8 . 1 1 44 44 VAL H H 44 8.707 8.707 8.911 -0.204 25436 4403 1 8 . 1 1 45 45 GLY N N 45 109.497 109.497 106.773 2.724 25436 4404 1 8 . 1 1 45 45 GLY C C 45 171.265 171.265 171.598 -0.333 25436 4405 1 8 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.456 -0.439 25436 4406 1 8 . 1 1 45 45 GLY H H 45 7.541 7.541 7.465 0.076 25436 4407 1 8 . 1 1 46 46 CYS N N 46 124.565 124.565 120.462 4.103 25436 4408 1 8 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.130 -0.119 25436 4409 1 8 . 1 1 46 46 CYS C C 46 172.072 172.072 172.192 -0.120 25436 4410 1 8 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.897 0.088 25436 4411 1 8 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.126 -2.797 25436 4412 1 8 . 1 1 46 46 CYS H H 46 8.983 8.983 8.697 0.286 25436 4413 1 8 . 1 1 47 47 SER N N 47 122.911 122.911 117.471 5.440 25436 4414 1 8 . 1 1 47 47 SER HA H 47 4.906 4.906 4.875 0.031 25436 4415 1 8 . 1 1 47 47 SER C C 47 171.848 171.848 171.780 0.068 25436 4416 1 8 . 1 1 47 47 SER CA C 47 56.487 56.487 57.439 -0.952 25436 4417 1 8 . 1 1 47 47 SER CB C 47 65.679 65.679 65.319 0.360 25436 4418 1 8 . 1 1 47 47 SER H H 47 8.568 8.568 8.877 -0.309 25436 4419 1 8 . 1 1 48 48 VAL N N 48 121.488 121.488 121.631 -0.143 25436 4420 1 8 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.136 0.006 25436 4421 1 8 . 1 1 48 48 VAL C C 48 173.990 173.990 173.559 0.431 25436 4422 1 8 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.027 1.220 25436 4423 1 8 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.193 -1.326 25436 4424 1 8 . 1 1 48 48 VAL H H 48 8.588 8.588 8.116 0.472 25436 4425 1 8 . 1 1 49 49 HIS N N 49 130.227 130.227 124.644 5.583 25436 4426 1 8 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.744 -0.335 25436 4427 1 8 . 1 1 49 49 HIS C C 49 173.949 173.949 173.747 0.202 25436 4428 1 8 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.166 0.500 25436 4429 1 8 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.344 -0.226 25436 4430 1 8 . 1 1 49 49 HIS H H 49 8.380 8.380 8.588 -0.208 25436 4431 1 8 . 1 1 50 50 LYS N N 50 121.171 121.171 119.819 1.352 25436 4432 1 8 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.070 0.364 25436 4433 1 8 . 1 1 50 50 LYS C C 50 175.527 175.527 177.229 -1.702 25436 4434 1 8 . 1 1 50 50 LYS CA C 50 55.918 55.918 55.855 0.063 25436 4435 1 8 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.492 -2.071 25436 4436 1 8 . 1 1 50 50 LYS H H 50 7.717 7.717 8.142 -0.425 25436 4437 1 8 . 1 1 51 51 GLY N N 51 113.993 113.993 111.896 2.097 25436 4438 1 8 . 1 1 51 51 GLY C C 51 174.252 174.252 173.001 1.251 25436 4439 1 8 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.445 -1.038 25436 4440 1 8 . 1 1 51 51 GLY H H 51 9.404 9.404 8.850 0.554 25436 4441 1 8 . 1 1 52 52 PHE N N 52 112.326 112.326 114.529 -2.203 25436 4442 1 8 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.589 -0.297 25436 4443 1 8 . 1 1 52 52 PHE C C 52 171.605 171.605 172.991 -1.386 25436 4444 1 8 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.487 0.767 25436 4445 1 8 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.309 -0.268 25436 4446 1 8 . 1 1 52 52 PHE H H 52 7.006 7.006 7.129 -0.123 25436 4447 1 8 . 1 1 53 53 ALA N N 53 119.722 119.722 119.213 0.509 25436 4448 1 8 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.835 -0.027 25436 4449 1 8 . 1 1 53 53 ALA C C 53 173.029 173.029 174.554 -1.525 25436 4450 1 8 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.029 -0.732 25436 4451 1 8 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.424 2.375 25436 4452 1 8 . 1 1 53 53 ALA H H 53 8.677 8.677 8.463 0.214 25436 4453 1 8 . 1 1 54 54 PHE N N 54 112.104 112.104 115.687 -3.583 25436 4454 1 8 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.718 -0.138 25436 4455 1 8 . 1 1 54 54 PHE C C 54 175.794 175.794 174.263 1.531 25436 4456 1 8 . 1 1 54 54 PHE CA C 54 56.714 56.714 57.117 -0.403 25436 4457 1 8 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.606 -0.320 25436 4458 1 8 . 1 1 54 54 PHE H H 54 8.797 8.797 8.965 -0.168 25436 4459 1 8 . 1 1 55 55 VAL N N 55 118.542 118.542 120.021 -1.479 25436 4460 1 8 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.287 -0.074 25436 4461 1 8 . 1 1 55 55 VAL C C 55 172.806 172.806 173.745 -0.939 25436 4462 1 8 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.084 0.844 25436 4463 1 8 . 1 1 55 55 VAL CB C 55 34.920 34.920 36.068 -1.148 25436 4464 1 8 . 1 1 55 55 VAL H H 55 8.295 8.295 8.627 -0.332 25436 4465 1 8 . 1 1 56 56 GLN N N 56 128.473 128.473 123.310 5.163 25436 4466 1 8 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.745 -0.175 25436 4467 1 8 . 1 1 56 56 GLN C C 56 173.893 173.893 174.239 -0.346 25436 4468 1 8 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.981 0.283 25436 4469 1 8 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.951 1.119 25436 4470 1 8 . 1 1 56 56 GLN H H 56 9.263 9.263 8.828 0.435 25436 4471 1 8 . 1 1 57 57 TYR N N 57 127.679 127.679 125.347 2.332 25436 4472 1 8 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.291 -0.004 25436 4473 1 8 . 1 1 57 57 TYR C C 57 175.609 175.609 176.572 -0.963 25436 4474 1 8 . 1 1 57 57 TYR CA C 57 58.668 58.668 56.896 1.772 25436 4475 1 8 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.449 -0.415 25436 4476 1 8 . 1 1 57 57 TYR H H 57 8.928 8.928 8.855 0.073 25436 4477 1 8 . 1 1 58 58 VAL N N 58 116.710 116.710 117.909 -1.199 25436 4478 1 8 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.859 0.256 25436 4479 1 8 . 1 1 58 58 VAL C C 58 175.859 175.859 174.930 0.929 25436 4480 1 8 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.519 -0.461 25436 4481 1 8 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.206 0.807 25436 4482 1 8 . 1 1 58 58 VAL H H 58 9.479 9.479 8.723 0.756 25436 4483 1 8 . 1 1 59 59 ASN N N 59 112.455 112.455 113.126 -0.671 25436 4484 1 8 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.835 0.324 25436 4485 1 8 . 1 1 59 59 ASN C C 59 174.482 174.482 174.950 -0.468 25436 4486 1 8 . 1 1 59 59 ASN CA C 59 51.942 51.942 52.100 -0.158 25436 4487 1 8 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.186 2.006 25436 4488 1 8 . 1 1 59 59 ASN H H 59 7.218 7.218 7.536 -0.318 25436 4489 1 8 . 1 1 60 60 GLU N N 60 124.337 124.337 120.964 3.373 25436 4490 1 8 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.282 0.037 25436 4491 1 8 . 1 1 60 60 GLU C C 60 178.201 178.201 178.371 -0.170 25436 4492 1 8 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.235 -0.495 25436 4493 1 8 . 1 1 60 60 GLU CB C 60 30.357 30.357 30.093 0.264 25436 4494 1 8 . 1 1 60 60 GLU H H 60 8.808 8.808 8.961 -0.153 25436 4495 1 8 . 1 1 61 61 ARG N N 61 118.265 118.265 119.871 -1.606 25436 4496 1 8 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.050 -0.053 25436 4497 1 8 . 1 1 61 61 ARG C C 61 179.340 179.340 178.555 0.785 25436 4498 1 8 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.698 0.781 25436 4499 1 8 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.253 0.101 25436 4500 1 8 . 1 1 61 61 ARG H H 61 8.630 8.630 8.486 0.144 25436 4501 1 8 . 1 1 62 62 ASN N N 62 118.081 118.081 117.746 0.335 25436 4502 1 8 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.276 0.004 25436 4503 1 8 . 1 1 62 62 ASN C C 62 174.851 174.851 176.690 -1.839 25436 4504 1 8 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.240 0.212 25436 4505 1 8 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.324 0.695 25436 4506 1 8 . 1 1 62 62 ASN H H 62 7.785 7.785 9.000 -1.215 25436 4507 1 8 . 1 1 63 63 ALA N N 63 119.543 119.543 123.233 -3.690 25436 4508 1 8 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.416 -0.660 25436 4509 1 8 . 1 1 63 63 ALA C C 63 178.861 178.861 179.527 -0.666 25436 4510 1 8 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.115 -0.154 25436 4511 1 8 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.726 -0.186 25436 4512 1 8 . 1 1 63 63 ALA H H 63 6.779 6.779 7.381 -0.602 25436 4513 1 8 . 1 1 64 64 ARG N N 64 114.965 114.965 117.312 -2.347 25436 4514 1 8 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.070 -0.228 25436 4515 1 8 . 1 1 64 64 ARG C C 64 179.775 179.775 178.529 1.246 25436 4516 1 8 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.347 2.843 25436 4517 1 8 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.355 -0.042 25436 4518 1 8 . 1 1 64 64 ARG H H 64 8.755 8.755 8.280 0.475 25436 4519 1 8 . 1 1 65 65 ALA N N 65 123.704 123.704 121.748 1.956 25436 4520 1 8 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.058 0.072 25436 4521 1 8 . 1 1 65 65 ALA C C 65 179.560 179.560 178.402 1.158 25436 4522 1 8 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.771 0.208 25436 4523 1 8 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.214 -0.322 25436 4524 1 8 . 1 1 65 65 ALA H H 65 7.823 7.823 7.489 0.334 25436 4525 1 8 . 1 1 66 66 ALA N N 66 123.797 123.797 118.872 4.925 25436 4526 1 8 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.659 -1.583 25436 4527 1 8 . 1 1 66 66 ALA C C 66 179.259 179.259 179.286 -0.027 25436 4528 1 8 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.014 0.273 25436 4529 1 8 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.305 -0.031 25436 4530 1 8 . 1 1 66 66 ALA H H 66 7.545 7.545 7.460 0.085 25436 4531 1 8 . 1 1 67 67 VAL N N 67 116.549 116.549 118.083 -1.534 25436 4532 1 8 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.815 -0.461 25436 4533 1 8 . 1 1 67 67 VAL C C 67 177.744 177.744 176.504 1.240 25436 4534 1 8 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.113 0.420 25436 4535 1 8 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.660 0.309 25436 4536 1 8 . 1 1 67 67 VAL H H 67 7.619 7.619 8.430 -0.811 25436 4537 1 8 . 1 1 68 68 ALA N N 68 118.193 118.193 119.500 -1.307 25436 4538 1 8 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.451 -0.324 25436 4539 1 8 . 1 1 68 68 ALA C C 68 180.748 180.748 177.983 2.765 25436 4540 1 8 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.874 1.487 25436 4541 1 8 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.307 -1.179 25436 4542 1 8 . 1 1 68 68 ALA H H 68 7.550 7.550 7.398 0.152 25436 4543 1 8 . 1 1 69 69 GLY N N 69 103.773 103.773 106.328 -2.555 25436 4544 1 8 . 1 1 69 69 GLY C C 69 175.626 175.626 175.447 0.179 25436 4545 1 8 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.439 0.687 25436 4546 1 8 . 1 1 69 69 GLY H H 69 8.140 8.140 7.304 0.836 25436 4547 1 8 . 1 1 70 70 GLU N N 70 114.547 114.547 117.639 -3.092 25436 4548 1 8 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.449 0.187 25436 4549 1 8 . 1 1 70 70 GLU C C 70 176.391 176.391 175.196 1.195 25436 4550 1 8 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.792 -0.633 25436 4551 1 8 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.505 -0.240 25436 4552 1 8 . 1 1 70 70 GLU H H 70 7.654 7.654 7.834 -0.180 25436 4553 1 8 . 1 1 71 71 ASP N N 71 118.202 118.202 120.391 -2.189 25436 4554 1 8 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.327 -0.040 25436 4555 1 8 . 1 1 71 71 ASP C C 71 178.698 178.698 177.769 0.929 25436 4556 1 8 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.083 1.448 25436 4557 1 8 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.973 0.398 25436 4558 1 8 . 1 1 71 71 ASP H H 71 8.020 8.020 7.544 0.476 25436 4559 1 8 . 1 1 72 72 GLY N N 72 114.301 114.301 114.597 -0.296 25436 4560 1 8 . 1 1 72 72 GLY C C 72 173.791 173.791 173.614 0.177 25436 4561 1 8 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.191 0.567 25436 4562 1 8 . 1 1 72 72 GLY H H 72 8.305 8.305 8.434 -0.129 25436 4563 1 8 . 1 1 73 73 ARG N N 73 121.994 121.994 118.431 3.563 25436 4564 1 8 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.556 -0.361 25436 4565 1 8 . 1 1 73 73 ARG C C 73 175.187 175.187 174.874 0.313 25436 4566 1 8 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.746 1.756 25436 4567 1 8 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.862 -0.610 25436 4568 1 8 . 1 1 73 73 ARG H H 73 7.980 7.980 7.747 0.233 25436 4569 1 8 . 1 1 74 74 MET N N 74 125.081 125.081 121.974 3.107 25436 4570 1 8 . 1 1 74 74 MET HA H 74 4.823 4.823 5.125 -0.302 25436 4571 1 8 . 1 1 74 74 MET C C 74 175.726 175.726 175.132 0.594 25436 4572 1 8 . 1 1 74 74 MET CA C 74 55.029 55.029 55.173 -0.144 25436 4573 1 8 . 1 1 74 74 MET CB C 74 33.092 33.092 34.602 -1.510 25436 4574 1 8 . 1 1 74 74 MET H H 74 8.712 8.712 8.419 0.293 25436 4575 1 8 . 1 1 75 75 ILE N N 75 127.490 127.490 125.456 2.034 25436 4576 1 8 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.482 -0.100 25436 4577 1 8 . 1 1 75 75 ILE C C 75 175.276 175.276 175.524 -0.248 25436 4578 1 8 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.850 -1.046 25436 4579 1 8 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.105 -0.709 25436 4580 1 8 . 1 1 75 75 ILE H H 75 8.589 8.589 8.967 -0.378 25436 4581 1 8 . 1 1 76 76 ALA N N 76 132.147 132.147 127.685 4.462 25436 4582 1 8 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.041 -0.003 25436 4583 1 8 . 1 1 76 76 ALA C C 76 177.205 177.205 177.734 -0.529 25436 4584 1 8 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.044 -1.110 25436 4585 1 8 . 1 1 76 76 ALA CB C 76 17.148 17.148 16.993 0.155 25436 4586 1 8 . 1 1 76 76 ALA H H 76 9.547 9.547 8.972 0.575 25436 4587 1 8 . 1 1 77 77 GLY N N 77 101.695 101.695 101.867 -0.172 25436 4588 1 8 . 1 1 77 77 GLY C C 77 174.205 174.205 174.138 0.067 25436 4589 1 8 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.940 0.823 25436 4590 1 8 . 1 1 77 77 GLY H H 77 8.445 8.445 8.342 0.103 25436 4591 1 8 . 1 1 78 78 GLN N N 78 119.020 119.020 118.651 0.369 25436 4592 1 8 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.715 0.014 25436 4593 1 8 . 1 1 78 78 GLN C C 78 174.046 174.046 174.224 -0.178 25436 4594 1 8 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.166 0.029 25436 4595 1 8 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.962 -1.073 25436 4596 1 8 . 1 1 78 78 GLN H H 78 7.720 7.720 7.813 -0.093 25436 4597 1 8 . 1 1 79 79 VAL N N 79 123.374 123.374 121.652 1.722 25436 4598 1 8 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.957 -0.945 25436 4599 1 8 . 1 1 79 79 VAL C C 79 176.347 176.347 175.652 0.695 25436 4600 1 8 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.290 1.365 25436 4601 1 8 . 1 1 79 79 VAL CB C 79 32.084 32.084 32.998 -0.914 25436 4602 1 8 . 1 1 79 79 VAL H H 79 8.532 8.532 8.411 0.121 25436 4603 1 8 . 1 1 80 80 LEU N N 80 128.569 128.569 122.611 5.958 25436 4604 1 8 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.900 -0.613 25436 4605 1 8 . 1 1 80 80 LEU C C 80 176.521 176.521 175.292 1.229 25436 4606 1 8 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.145 3.918 25436 4607 1 8 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.124 -0.303 25436 4608 1 8 . 1 1 80 80 LEU H H 80 9.014 9.014 8.198 0.816 25436 4609 1 8 . 1 1 81 81 ASP N N 81 124.359 124.359 122.577 1.782 25436 4610 1 8 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.125 0.100 25436 4611 1 8 . 1 1 81 81 ASP C C 81 174.659 174.659 175.350 -0.691 25436 4612 1 8 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.843 0.112 25436 4613 1 8 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.468 1.204 25436 4614 1 8 . 1 1 81 81 ASP H H 81 7.850 7.850 8.371 -0.521 25436 4615 1 8 . 1 1 82 82 ILE N N 82 123.155 123.155 126.244 -3.089 25436 4616 1 8 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.889 0.513 25436 4617 1 8 . 1 1 82 82 ILE C C 82 174.520 174.520 175.366 -0.846 25436 4618 1 8 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.319 -1.087 25436 4619 1 8 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.526 1.438 25436 4620 1 8 . 1 1 82 82 ILE H H 82 9.086 9.086 8.420 0.666 25436 4621 1 8 . 1 1 83 83 ASN N N 83 116.417 116.417 122.293 -5.876 25436 4622 1 8 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.939 -0.092 25436 4623 1 8 . 1 1 83 83 ASN C C 83 174.565 174.565 173.604 0.961 25436 4624 1 8 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.192 0.856 25436 4625 1 8 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.135 0.975 25436 4626 1 8 . 1 1 83 83 ASN H H 83 8.495 8.495 8.486 0.009 25436 4627 1 8 . 1 1 84 84 LEU N N 84 123.786 123.786 122.371 1.415 25436 4628 1 8 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.407 0.315 25436 4629 1 8 . 1 1 84 84 LEU C C 84 180.968 180.968 178.390 2.578 25436 4630 1 8 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.074 0.226 25436 4631 1 8 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.742 -1.426 25436 4632 1 8 . 1 1 84 84 LEU H H 84 9.427 9.427 8.853 0.574 25436 4633 1 8 . 1 1 85 85 ALA N N 85 127.571 127.571 127.297 0.274 25436 4634 1 8 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.353 -0.305 25436 4635 1 8 . 1 1 85 85 ALA C C 85 177.931 177.931 176.602 1.329 25436 4636 1 8 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.014 2.282 25436 4637 1 8 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.080 -1.127 25436 4638 1 8 . 1 1 85 85 ALA H H 85 9.295 9.295 8.711 0.584 25436 4639 1 8 . 1 1 86 86 ALA N N 86 115.985 115.985 118.545 -2.560 25436 4640 1 8 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.412 -0.001 25436 4641 1 8 . 1 1 86 86 ALA C C 86 176.152 176.152 176.753 -0.601 25436 4642 1 8 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.987 -0.215 25436 4643 1 8 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.174 0.152 25436 4644 1 8 . 1 1 86 86 ALA H H 86 8.657 8.657 8.074 0.583 25436 4645 1 8 . 1 1 87 87 GLU N N 87 118.975 118.975 119.617 -0.642 25436 4646 1 8 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.631 0.104 25436 4647 1 8 . 1 1 87 87 GLU C C 87 171.676 171.676 174.059 -2.383 25436 4648 1 8 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.483 -0.335 25436 4649 1 8 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.014 -0.098 25436 4650 1 8 . 1 1 87 87 GLU H H 87 7.913 7.913 7.806 0.107 25436 4651 1 8 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.562 -0.215 25436 4652 1 8 . 1 1 88 88 PRO C C 88 177.303 177.303 176.594 0.709 25436 4653 1 8 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.478 -0.600 25436 4654 1 8 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.413 -0.511 25436 4655 1 8 . 1 1 89 89 LYS N N 89 121.335 121.335 120.408 0.927 25436 4656 1 8 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.433 -0.193 25436 4657 1 8 . 1 1 89 89 LYS C C 89 177.689 177.689 176.069 1.620 25436 4658 1 8 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.168 0.583 25436 4659 1 8 . 1 1 89 89 LYS CB C 89 33.436 33.436 32.719 0.717 25436 4660 1 8 . 1 1 89 89 LYS H H 89 8.020 8.020 8.401 -0.381 25436 4661 1 8 . 1 1 90 90 VAL N N 90 120.786 120.786 120.512 0.274 25436 4662 1 8 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.264 -0.342 25436 4663 1 8 . 1 1 90 90 VAL C C 90 176.169 176.169 175.787 0.382 25436 4664 1 8 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.888 2.410 25436 4665 1 8 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.938 -1.671 25436 4666 1 8 . 1 1 90 90 VAL H H 90 8.232 8.232 7.625 0.607 25436 4667 1 8 . 1 1 91 91 ASN N N 91 119.214 119.214 121.527 -2.313 25436 4668 1 8 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.727 -0.068 25436 4669 1 8 . 1 1 91 91 ASN C C 91 175.172 175.172 175.183 -0.011 25436 4670 1 8 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.500 -0.472 25436 4671 1 8 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.472 -0.303 25436 4672 1 8 . 1 1 91 91 ASN H H 91 8.453 8.453 8.686 -0.233 25436 4673 1 8 . 1 1 92 92 ARG N N 92 120.709 120.709 115.547 5.162 25436 4674 1 8 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.072 0.182 25436 4675 1 8 . 1 1 92 92 ARG C C 92 176.991 176.991 175.810 1.181 25436 4676 1 8 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.490 0.010 25436 4677 1 8 . 1 1 92 92 ARG CB C 92 30.607 30.607 27.802 2.805 25436 4678 1 8 . 1 1 92 92 ARG H H 92 7.925 7.925 8.322 -0.397 25436 4679 1 8 . 1 1 93 93 GLY N N 93 110.299 110.299 106.363 3.936 25436 4680 1 8 . 1 1 93 93 GLY C C 93 174.245 174.245 174.018 0.227 25436 4681 1 8 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.912 0.504 25436 4682 1 8 . 1 1 93 93 GLY H H 93 8.593 8.593 8.196 0.397 25436 4683 1 8 . 1 1 94 94 LYS N N 94 120.781 120.781 117.956 2.825 25436 4684 1 8 . 1 1 94 94 LYS HA H 94 4.294 4.294 4.038 0.256 25436 4685 1 8 . 1 1 94 94 LYS C C 94 176.524 176.524 175.435 1.089 25436 4686 1 8 . 1 1 94 94 LYS CA C 94 56.107 56.107 56.670 -0.563 25436 4687 1 8 . 1 1 94 94 LYS CB C 94 33.140 33.140 32.484 0.656 25436 4688 1 8 . 1 1 94 94 LYS H H 94 8.126 8.126 7.594 0.532 25436 4689 1 8 . 1 1 95 95 ALA N N 95 125.012 125.012 121.929 3.083 25436 4690 1 8 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.653 -0.354 25436 4691 1 8 . 1 1 95 95 ALA C C 95 178.324 178.324 179.293 -0.969 25436 4692 1 8 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.730 1.071 25436 4693 1 8 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.254 -1.076 25436 4694 1 8 . 1 1 95 95 ALA H H 95 8.435 8.435 8.114 0.321 25436 4695 1 8 . 1 1 96 96 GLY N N 96 108.312 108.312 106.907 1.405 25436 4696 1 8 . 1 1 96 96 GLY C C 96 174.095 174.095 175.260 -1.165 25436 4697 1 8 . 1 1 96 96 GLY CA C 96 45.282 45.282 45.835 -0.553 25436 4698 1 8 . 1 1 96 96 GLY H H 96 8.414 8.414 9.015 -0.601 25436 4699 1 8 . 1 1 97 97 VAL N N 97 119.818 119.818 119.269 0.549 25436 4700 1 8 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.999 0.073 25436 4701 1 8 . 1 1 97 97 VAL C C 97 176.155 176.155 176.236 -0.081 25436 4702 1 8 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.910 -1.565 25436 4703 1 8 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.858 0.899 25436 4704 1 8 . 1 1 97 97 VAL H H 97 7.919 7.919 7.725 0.194 25436 4705 1 8 . 1 1 98 98 LYS N N 98 125.912 125.912 119.875 6.037 25436 4706 1 8 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.497 -0.164 25436 4707 1 8 . 1 1 98 98 LYS C C 98 176.426 176.426 176.252 0.174 25436 4708 1 8 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.298 0.871 25436 4709 1 8 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.971 0.077 25436 4710 1 8 . 1 1 98 98 LYS H H 98 8.466 8.466 7.418 1.048 25436 4711 1 8 . 1 1 99 99 ARG N N 99 123.544 123.544 121.791 1.753 25436 4712 1 8 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.506 -0.137 25436 4713 1 8 . 1 1 99 99 ARG C C 99 176.230 176.230 175.701 0.529 25436 4714 1 8 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.325 0.669 25436 4715 1 8 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.534 -0.370 25436 4716 1 8 . 1 1 99 99 ARG H H 99 8.468 8.468 8.497 -0.029 25436 4717 1 8 . 1 1 100 100 SER N N 100 117.781 117.781 116.616 1.165 25436 4718 1 8 . 1 1 100 100 SER HA H 100 4.452 4.452 4.572 -0.120 25436 4719 1 8 . 1 1 100 100 SER C C 100 174.555 174.555 175.754 -1.199 25436 4720 1 8 . 1 1 100 100 SER CA C 100 58.036 58.036 57.290 0.746 25436 4721 1 8 . 1 1 100 100 SER CB C 100 64.139 64.139 64.256 -0.117 25436 4722 1 8 . 1 1 100 100 SER H H 100 8.507 8.507 8.304 0.203 25436 4723 1 8 . 1 1 101 101 ALA N N 101 126.090 126.090 126.219 -0.129 25436 4724 1 8 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.237 0.033 25436 4725 1 8 . 1 1 101 101 ALA C C 101 178.046 178.046 177.617 0.429 25436 4726 1 8 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.809 -0.539 25436 4727 1 8 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.398 0.634 25436 4728 1 8 . 1 1 101 101 ALA H H 101 8.529 8.529 8.676 -0.147 25436 4729 1 8 . 1 1 102 102 ALA N N 102 121.750 121.750 119.145 2.605 25436 4730 1 8 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.514 -0.287 25436 4731 1 8 . 1 1 102 102 ALA C C 102 178.253 178.253 177.640 0.613 25436 4732 1 8 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.556 0.439 25436 4733 1 8 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.226 -0.148 25436 4734 1 8 . 1 1 102 102 ALA H H 102 8.219 8.219 7.979 0.240 25436 4735 1 8 . 1 1 103 103 GLU N N 103 118.819 118.819 118.457 0.362 25436 4736 1 8 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.375 -0.173 25436 4737 1 8 . 1 1 103 103 GLU C C 103 176.515 176.515 175.974 0.541 25436 4738 1 8 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.659 1.010 25436 4739 1 8 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.361 -0.199 25436 4740 1 8 . 1 1 103 103 GLU H H 103 8.100 8.100 7.867 0.233 25436 4741 1 8 . 1 1 104 104 MET N N 104 120.178 120.178 119.185 0.993 25436 4742 1 8 . 1 1 104 104 MET HA H 104 4.332 4.332 4.184 0.148 25436 4743 1 8 . 1 1 104 104 MET C C 104 175.861 175.861 177.526 -1.665 25436 4744 1 8 . 1 1 104 104 MET CA C 104 55.869 55.869 54.706 1.163 25436 4745 1 8 . 1 1 104 104 MET CB C 104 32.993 32.993 32.895 0.098 25436 4746 1 8 . 1 1 104 104 MET H H 104 8.086 8.086 7.669 0.417 25436 4747 1 8 . 1 1 105 105 TYR N N 105 120.369 120.369 119.472 0.897 25436 4748 1 8 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.355 0.297 25436 4749 1 8 . 1 1 105 105 TYR C C 105 175.318 175.318 177.159 -1.841 25436 4750 1 8 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.447 -0.862 25436 4751 1 8 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.349 0.542 25436 4752 1 8 . 1 1 105 105 TYR H H 105 8.137 8.137 8.445 -0.308 25436 4753 1 9 . 1 1 3 3 SER HA H 3 4.564 4.564 4.417 0.147 25436 4754 1 9 . 1 1 3 3 SER C C 3 173.407 173.407 174.790 -1.383 25436 4755 1 9 . 1 1 3 3 SER CA C 3 58.309 58.309 58.136 0.173 25436 4756 1 9 . 1 1 3 3 SER CB C 3 63.980 63.980 63.617 0.363 25436 4757 1 9 . 1 1 4 4 ASN N N 4 120.204 120.204 118.063 2.141 25436 4758 1 9 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.084 0.133 25436 4759 1 9 . 1 1 4 4 ASN C C 4 176.242 176.242 174.156 2.086 25436 4760 1 9 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.515 0.520 25436 4761 1 9 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.993 -0.278 25436 4762 1 9 . 1 1 4 4 ASN H H 4 8.783 8.783 8.599 0.184 25436 4763 1 9 . 1 1 5 5 VAL N N 5 122.598 122.598 120.866 1.732 25436 4764 1 9 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.254 -0.484 25436 4765 1 9 . 1 1 5 5 VAL C C 5 177.222 177.222 175.241 1.981 25436 4766 1 9 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.752 4.054 25436 4767 1 9 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.376 -3.521 25436 4768 1 9 . 1 1 5 5 VAL H H 5 8.326 8.326 7.562 0.764 25436 4769 1 9 . 1 1 6 6 THR N N 6 118.450 118.450 116.495 1.955 25436 4770 1 9 . 1 1 6 6 THR HA H 6 4.682 4.682 4.494 0.188 25436 4771 1 9 . 1 1 6 6 THR C C 6 174.349 174.349 173.292 1.057 25436 4772 1 9 . 1 1 6 6 THR CA C 6 60.542 60.542 61.610 -1.068 25436 4773 1 9 . 1 1 6 6 THR CB C 6 69.771 69.771 69.434 0.337 25436 4774 1 9 . 1 1 6 6 THR H H 6 9.391 9.391 8.421 0.970 25436 4775 1 9 . 1 1 7 7 ASN N N 7 120.847 120.847 118.784 2.063 25436 4776 1 9 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.577 -0.022 25436 4777 1 9 . 1 1 7 7 ASN C C 7 176.863 176.863 174.897 1.966 25436 4778 1 9 . 1 1 7 7 ASN CA C 7 51.909 51.909 53.051 -1.142 25436 4779 1 9 . 1 1 7 7 ASN CB C 7 38.059 38.059 38.615 -0.556 25436 4780 1 9 . 1 1 7 7 ASN H H 7 7.970 7.970 7.867 0.103 25436 4781 1 9 . 1 1 8 8 LYS N N 8 121.736 121.736 120.445 1.291 25436 4782 1 9 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.400 -0.146 25436 4783 1 9 . 1 1 8 8 LYS C C 8 180.141 180.141 176.963 3.178 25436 4784 1 9 . 1 1 8 8 LYS CA C 8 58.221 58.221 55.919 2.302 25436 4785 1 9 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.054 -0.764 25436 4786 1 9 . 1 1 8 8 LYS H H 8 8.577 8.577 8.125 0.452 25436 4787 1 9 . 1 1 9 9 THR N N 9 110.800 110.800 110.561 0.239 25436 4788 1 9 . 1 1 9 9 THR HA H 9 4.467 4.467 4.371 0.096 25436 4789 1 9 . 1 1 9 9 THR C C 9 174.484 174.484 173.898 0.586 25436 4790 1 9 . 1 1 9 9 THR CA C 9 61.242 61.242 61.113 0.129 25436 4791 1 9 . 1 1 9 9 THR CB C 9 69.009 69.009 69.177 -0.168 25436 4792 1 9 . 1 1 9 9 THR H H 9 8.695 8.695 8.418 0.277 25436 4793 1 9 . 1 1 10 10 ASP N N 10 120.937 120.937 124.285 -3.348 25436 4794 1 9 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.840 -0.017 25436 4795 1 9 . 1 1 10 10 ASP C C 10 173.945 173.945 176.228 -2.283 25436 4796 1 9 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.504 -1.018 25436 4797 1 9 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.923 -2.373 25436 4798 1 9 . 1 1 10 10 ASP H H 10 7.908 7.908 7.727 0.181 25436 4799 1 9 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.393 -0.243 25436 4800 1 9 . 1 1 11 11 PRO C C 11 178.420 178.420 176.445 1.975 25436 4801 1 9 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.757 1.456 25436 4802 1 9 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.983 0.172 25436 4803 1 9 . 1 1 12 12 ARG N N 12 116.349 116.349 113.365 2.984 25436 4804 1 9 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.798 -0.703 25436 4805 1 9 . 1 1 12 12 ARG C C 12 180.445 180.445 176.523 3.922 25436 4806 1 9 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.151 3.420 25436 4807 1 9 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.270 -1.035 25436 4808 1 9 . 1 1 12 12 ARG H H 12 7.944 7.944 8.033 -0.089 25436 4809 1 9 . 1 1 13 13 SER N N 13 119.401 119.401 115.364 4.037 25436 4810 1 9 . 1 1 13 13 SER HA H 13 4.053 4.053 4.724 -0.671 25436 4811 1 9 . 1 1 13 13 SER C C 13 175.325 175.325 175.629 -0.304 25436 4812 1 9 . 1 1 13 13 SER CA C 13 61.500 61.500 60.008 1.492 25436 4813 1 9 . 1 1 13 13 SER CB C 13 61.798 61.798 64.705 -2.907 25436 4814 1 9 . 1 1 13 13 SER H H 13 8.152 8.152 7.737 0.415 25436 4815 1 9 . 1 1 14 14 MET N N 14 120.254 120.254 119.132 1.122 25436 4816 1 9 . 1 1 14 14 MET HA H 14 4.090 4.090 4.329 -0.239 25436 4817 1 9 . 1 1 14 14 MET C C 14 178.575 178.575 175.645 2.930 25436 4818 1 9 . 1 1 14 14 MET CA C 14 58.317 58.317 57.809 0.507 25436 4819 1 9 . 1 1 14 14 MET CB C 14 31.466 31.466 33.104 -1.638 25436 4820 1 9 . 1 1 14 14 MET H H 14 8.241 8.241 7.979 0.262 25436 4821 1 9 . 1 1 15 15 ASN N N 15 115.299 115.299 110.370 4.929 25436 4822 1 9 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.831 -0.205 25436 4823 1 9 . 1 1 15 15 ASN C C 15 172.554 172.554 175.767 -3.213 25436 4824 1 9 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.120 0.940 25436 4825 1 9 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.028 -0.232 25436 4826 1 9 . 1 1 15 15 ASN H H 15 7.962 7.962 8.242 -0.280 25436 4827 1 9 . 1 1 16 16 SER N N 16 106.079 106.079 113.170 -7.091 25436 4828 1 9 . 1 1 16 16 SER HA H 16 4.500 4.500 4.756 -0.256 25436 4829 1 9 . 1 1 16 16 SER C C 16 172.120 172.120 173.861 -1.741 25436 4830 1 9 . 1 1 16 16 SER CA C 16 56.814 56.814 57.964 -1.150 25436 4831 1 9 . 1 1 16 16 SER CB C 16 63.439 63.439 63.833 -0.394 25436 4832 1 9 . 1 1 16 16 SER H H 16 7.249 7.249 7.864 -0.615 25436 4833 1 9 . 1 1 17 17 ARG N N 17 123.335 123.335 121.742 1.593 25436 4834 1 9 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.226 0.358 25436 4835 1 9 . 1 1 17 17 ARG C C 17 174.490 174.490 174.898 -0.408 25436 4836 1 9 . 1 1 17 17 ARG CA C 17 54.364 54.364 55.069 -0.705 25436 4837 1 9 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.965 -1.107 25436 4838 1 9 . 1 1 17 17 ARG H H 17 7.400 7.400 7.643 -0.243 25436 4839 1 9 . 1 1 18 18 VAL N N 18 122.241 122.241 121.815 0.426 25436 4840 1 9 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.649 0.068 25436 4841 1 9 . 1 1 18 18 VAL C C 18 174.862 174.862 174.370 0.492 25436 4842 1 9 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.561 -0.838 25436 4843 1 9 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.231 0.050 25436 4844 1 9 . 1 1 18 18 VAL H H 18 9.264 9.264 8.952 0.312 25436 4845 1 9 . 1 1 19 19 PHE N N 19 125.933 125.933 128.772 -2.839 25436 4846 1 9 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.332 0.134 25436 4847 1 9 . 1 1 19 19 PHE C C 19 171.966 171.966 173.610 -1.644 25436 4848 1 9 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.115 2.008 25436 4849 1 9 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.919 -0.974 25436 4850 1 9 . 1 1 19 19 PHE H H 19 9.162 9.162 9.241 -0.079 25436 4851 1 9 . 1 1 20 20 ILE N N 20 126.425 126.425 126.987 -0.562 25436 4852 1 9 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.275 -0.406 25436 4853 1 9 . 1 1 20 20 ILE C C 20 173.048 173.048 174.263 -1.215 25436 4854 1 9 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.045 -0.716 25436 4855 1 9 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.770 0.265 25436 4856 1 9 . 1 1 20 20 ILE H H 20 7.723 7.723 8.015 -0.292 25436 4857 1 9 . 1 1 21 21 GLY N N 21 113.255 113.255 111.151 2.104 25436 4858 1 9 . 1 1 21 21 GLY C C 21 173.768 173.768 174.369 -0.601 25436 4859 1 9 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.053 0.877 25436 4860 1 9 . 1 1 21 21 GLY H H 21 8.498 8.498 8.465 0.033 25436 4861 1 9 . 1 1 22 22 ASN N N 22 116.172 116.172 115.516 0.656 25436 4862 1 9 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.289 0.140 25436 4863 1 9 . 1 1 22 22 ASN C C 22 174.204 174.204 174.713 -0.509 25436 4864 1 9 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.208 -0.690 25436 4865 1 9 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.470 0.305 25436 4866 1 9 . 1 1 22 22 ASN H H 22 7.227 7.227 8.447 -1.220 25436 4867 1 9 . 1 1 23 23 LEU N N 23 119.429 119.429 119.173 0.256 25436 4868 1 9 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.284 -0.341 25436 4869 1 9 . 1 1 23 23 LEU C C 23 176.550 176.550 177.333 -0.783 25436 4870 1 9 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.654 -2.077 25436 4871 1 9 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.260 1.108 25436 4872 1 9 . 1 1 23 23 LEU H H 23 7.110 7.110 7.355 -0.245 25436 4873 1 9 . 1 1 24 24 ASN N N 24 122.292 122.292 122.107 0.185 25436 4874 1 9 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.542 0.530 25436 4875 1 9 . 1 1 24 24 ASN C C 24 175.830 175.830 175.752 0.078 25436 4876 1 9 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.401 -3.900 25436 4877 1 9 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.213 -2.622 25436 4878 1 9 . 1 1 24 24 ASN H H 24 8.975 8.975 8.941 0.034 25436 4879 1 9 . 1 1 25 25 THR N N 25 118.371 118.371 108.892 9.479 25436 4880 1 9 . 1 1 25 25 THR HA H 25 4.411 4.411 3.990 0.421 25436 4881 1 9 . 1 1 25 25 THR C C 25 175.285 175.285 175.131 0.154 25436 4882 1 9 . 1 1 25 25 THR CA C 25 63.453 63.453 63.373 0.080 25436 4883 1 9 . 1 1 25 25 THR CB C 25 67.150 67.150 67.819 -0.669 25436 4884 1 9 . 1 1 25 25 THR H H 25 8.466 8.466 8.288 0.178 25436 4885 1 9 . 1 1 26 26 LEU N N 26 121.017 121.017 118.175 2.842 25436 4886 1 9 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.456 -0.249 25436 4887 1 9 . 1 1 26 26 LEU C C 26 178.243 178.243 177.026 1.217 25436 4888 1 9 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.370 0.369 25436 4889 1 9 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.280 -1.148 25436 4890 1 9 . 1 1 26 26 LEU H H 26 7.583 7.583 8.101 -0.518 25436 4891 1 9 . 1 1 27 27 VAL N N 27 115.968 115.968 116.219 -0.251 25436 4892 1 9 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.241 -0.216 25436 4893 1 9 . 1 1 27 27 VAL C C 27 175.199 175.199 175.584 -0.385 25436 4894 1 9 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.844 0.365 25436 4895 1 9 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.951 1.231 25436 4896 1 9 . 1 1 27 27 VAL H H 27 6.846 6.846 7.868 -1.022 25436 4897 1 9 . 1 1 28 28 VAL N N 28 121.753 121.753 120.874 0.879 25436 4898 1 9 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.034 -0.167 25436 4899 1 9 . 1 1 28 28 VAL C C 28 174.351 174.351 175.094 -0.743 25436 4900 1 9 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.197 0.983 25436 4901 1 9 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.239 -1.194 25436 4902 1 9 . 1 1 28 28 VAL H H 28 8.389 8.389 7.593 0.796 25436 4903 1 9 . 1 1 29 29 LYS N N 29 124.108 124.108 121.582 2.526 25436 4904 1 9 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.637 -0.009 25436 4905 1 9 . 1 1 29 29 LYS C C 29 177.958 177.958 176.852 1.106 25436 4906 1 9 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.958 -0.298 25436 4907 1 9 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.393 0.063 25436 4908 1 9 . 1 1 29 29 LYS H H 29 8.929 8.929 7.972 0.957 25436 4909 1 9 . 1 1 30 30 LYS N N 30 123.352 123.352 121.950 1.402 25436 4910 1 9 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.891 -0.228 25436 4911 1 9 . 1 1 30 30 LYS C C 30 177.638 177.638 178.369 -0.731 25436 4912 1 9 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.871 2.529 25436 4913 1 9 . 1 1 30 30 LYS CB C 30 32.656 32.656 31.655 1.001 25436 4914 1 9 . 1 1 30 30 LYS H H 30 8.994 8.994 8.722 0.272 25436 4915 1 9 . 1 1 31 31 SER N N 31 111.491 111.491 108.691 2.800 25436 4916 1 9 . 1 1 31 31 SER HA H 31 4.175 4.175 4.730 -0.555 25436 4917 1 9 . 1 1 31 31 SER C C 31 177.616 177.616 174.931 2.685 25436 4918 1 9 . 1 1 31 31 SER CA C 31 61.402 61.402 58.967 2.435 25436 4919 1 9 . 1 1 31 31 SER CB C 31 61.541 61.541 62.828 -1.287 25436 4920 1 9 . 1 1 31 31 SER H H 31 8.686 8.686 8.154 0.532 25436 4921 1 9 . 1 1 32 32 ASP N N 32 122.114 122.114 122.656 -0.542 25436 4922 1 9 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.750 -0.226 25436 4923 1 9 . 1 1 32 32 ASP C C 32 178.193 178.193 178.311 -0.118 25436 4924 1 9 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.513 0.682 25436 4925 1 9 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.611 0.202 25436 4926 1 9 . 1 1 32 32 ASP H H 32 7.147 7.147 7.916 -0.769 25436 4927 1 9 . 1 1 33 33 VAL N N 33 120.064 120.064 120.312 -0.248 25436 4928 1 9 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.844 -0.376 25436 4929 1 9 . 1 1 33 33 VAL C C 33 178.623 178.623 176.845 1.778 25436 4930 1 9 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.418 0.919 25436 4931 1 9 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.841 -0.545 25436 4932 1 9 . 1 1 33 33 VAL H H 33 7.939 7.939 7.826 0.113 25436 4933 1 9 . 1 1 34 34 GLU N N 34 118.713 118.713 116.125 2.588 25436 4934 1 9 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.177 -0.418 25436 4935 1 9 . 1 1 34 34 GLU C C 34 178.700 178.700 176.121 2.579 25436 4936 1 9 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.365 3.138 25436 4937 1 9 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.135 0.195 25436 4938 1 9 . 1 1 34 34 GLU H H 34 8.641 8.641 7.772 0.869 25436 4939 1 9 . 1 1 35 35 ALA N N 35 121.519 121.519 120.343 1.176 25436 4940 1 9 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.552 -0.402 25436 4941 1 9 . 1 1 35 35 ALA C C 35 180.482 180.482 178.182 2.300 25436 4942 1 9 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.780 2.762 25436 4943 1 9 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.245 -2.188 25436 4944 1 9 . 1 1 35 35 ALA H H 35 7.818 7.818 7.688 0.130 25436 4945 1 9 . 1 1 36 36 ILE N N 36 117.410 117.410 118.129 -0.719 25436 4946 1 9 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.155 -0.487 25436 4947 1 9 . 1 1 36 36 ILE C C 36 178.664 178.664 176.438 2.226 25436 4948 1 9 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.953 1.837 25436 4949 1 9 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.413 0.372 25436 4950 1 9 . 1 1 36 36 ILE H H 36 7.778 7.778 7.629 0.149 25436 4951 1 9 . 1 1 37 37 PHE N N 37 113.502 113.502 116.960 -3.458 25436 4952 1 9 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.816 -0.453 25436 4953 1 9 . 1 1 37 37 PHE C C 37 179.622 179.622 177.544 2.078 25436 4954 1 9 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.738 3.965 25436 4955 1 9 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.412 -3.228 25436 4956 1 9 . 1 1 37 37 PHE H H 37 8.587 8.587 7.814 0.773 25436 4957 1 9 . 1 1 38 38 SER N N 38 122.010 122.010 115.418 6.592 25436 4958 1 9 . 1 1 38 38 SER HA H 38 4.819 4.819 4.688 0.131 25436 4959 1 9 . 1 1 38 38 SER C C 38 175.438 175.438 175.496 -0.058 25436 4960 1 9 . 1 1 38 38 SER CA C 38 61.462 61.462 59.774 1.688 25436 4961 1 9 . 1 1 38 38 SER CB C 38 62.737 62.737 62.896 -0.159 25436 4962 1 9 . 1 1 38 38 SER H H 38 8.827 8.827 8.656 0.171 25436 4963 1 9 . 1 1 39 39 LYS N N 39 119.345 119.345 117.574 1.771 25436 4964 1 9 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.164 -0.197 25436 4965 1 9 . 1 1 39 39 LYS C C 39 177.063 177.063 176.477 0.586 25436 4966 1 9 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.657 0.602 25436 4967 1 9 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.858 -0.296 25436 4968 1 9 . 1 1 39 39 LYS H H 39 7.057 7.057 8.028 -0.971 25436 4969 1 9 . 1 1 40 40 TYR N N 40 114.420 114.420 118.981 -4.561 25436 4970 1 9 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.570 -0.289 25436 4971 1 9 . 1 1 40 40 TYR C C 40 174.841 174.841 174.259 0.582 25436 4972 1 9 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.230 1.625 25436 4973 1 9 . 1 1 40 40 TYR CB C 40 38.361 38.361 39.900 -1.539 25436 4974 1 9 . 1 1 40 40 TYR H H 40 6.956 6.956 7.706 -0.750 25436 4975 1 9 . 1 1 41 41 GLY N N 41 106.506 106.506 105.158 1.348 25436 4976 1 9 . 1 1 41 41 GLY C C 41 170.572 170.572 172.411 -1.839 25436 4977 1 9 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.107 -0.536 25436 4978 1 9 . 1 1 41 41 GLY H H 41 7.430 7.430 7.308 0.122 25436 4979 1 9 . 1 1 42 42 LYS N N 42 117.771 117.771 121.220 -3.449 25436 4980 1 9 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.586 -0.385 25436 4981 1 9 . 1 1 42 42 LYS C C 42 176.535 176.535 176.241 0.294 25436 4982 1 9 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.640 2.492 25436 4983 1 9 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.702 0.254 25436 4984 1 9 . 1 1 42 42 LYS H H 42 8.037 8.037 8.278 -0.241 25436 4985 1 9 . 1 1 43 43 ILE N N 43 127.134 127.134 127.000 0.134 25436 4986 1 9 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.405 -0.379 25436 4987 1 9 . 1 1 43 43 ILE C C 43 176.992 176.992 175.978 1.014 25436 4988 1 9 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.789 -0.393 25436 4989 1 9 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.761 0.106 25436 4990 1 9 . 1 1 43 43 ILE H H 43 8.720 8.720 8.548 0.172 25436 4991 1 9 . 1 1 44 44 VAL N N 44 121.988 121.988 120.621 1.367 25436 4992 1 9 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.506 -0.138 25436 4993 1 9 . 1 1 44 44 VAL C C 44 176.854 176.854 174.540 2.314 25436 4994 1 9 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.759 1.126 25436 4995 1 9 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.948 -0.476 25436 4996 1 9 . 1 1 44 44 VAL H H 44 8.707 8.707 8.919 -0.212 25436 4997 1 9 . 1 1 45 45 GLY N N 45 109.497 109.497 106.928 2.569 25436 4998 1 9 . 1 1 45 45 GLY C C 45 171.265 171.265 171.615 -0.350 25436 4999 1 9 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.498 -0.481 25436 5000 1 9 . 1 1 45 45 GLY H H 45 7.541 7.541 7.450 0.091 25436 5001 1 9 . 1 1 46 46 CYS N N 46 124.565 124.565 121.560 3.005 25436 5002 1 9 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.300 -0.289 25436 5003 1 9 . 1 1 46 46 CYS C C 46 172.072 172.072 172.412 -0.340 25436 5004 1 9 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.555 0.429 25436 5005 1 9 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.800 -2.471 25436 5006 1 9 . 1 1 46 46 CYS H H 46 8.983 8.983 8.875 0.108 25436 5007 1 9 . 1 1 47 47 SER N N 47 122.911 122.911 119.349 3.562 25436 5008 1 9 . 1 1 47 47 SER HA H 47 4.906 4.906 4.920 -0.014 25436 5009 1 9 . 1 1 47 47 SER C C 47 171.848 171.848 171.992 -0.144 25436 5010 1 9 . 1 1 47 47 SER CA C 47 56.487 56.487 57.400 -0.913 25436 5011 1 9 . 1 1 47 47 SER CB C 47 65.679 65.679 66.315 -0.636 25436 5012 1 9 . 1 1 47 47 SER H H 47 8.568 8.568 9.182 -0.614 25436 5013 1 9 . 1 1 48 48 VAL N N 48 121.488 121.488 120.607 0.881 25436 5014 1 9 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.225 -0.083 25436 5015 1 9 . 1 1 48 48 VAL C C 48 173.990 173.990 173.708 0.282 25436 5016 1 9 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.839 1.408 25436 5017 1 9 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.734 -0.867 25436 5018 1 9 . 1 1 48 48 VAL H H 48 8.588 8.588 8.161 0.427 25436 5019 1 9 . 1 1 49 49 HIS N N 49 130.227 130.227 124.845 5.382 25436 5020 1 9 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.714 -0.305 25436 5021 1 9 . 1 1 49 49 HIS C C 49 173.949 173.949 173.894 0.055 25436 5022 1 9 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.192 0.474 25436 5023 1 9 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.116 -0.998 25436 5024 1 9 . 1 1 49 49 HIS H H 49 8.380 8.380 8.638 -0.258 25436 5025 1 9 . 1 1 50 50 LYS N N 50 121.171 121.171 119.893 1.278 25436 5026 1 9 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.929 0.505 25436 5027 1 9 . 1 1 50 50 LYS C C 50 175.527 175.527 177.435 -1.908 25436 5028 1 9 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.750 -0.832 25436 5029 1 9 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.132 -1.711 25436 5030 1 9 . 1 1 50 50 LYS H H 50 7.717 7.717 8.172 -0.455 25436 5031 1 9 . 1 1 51 51 GLY N N 51 113.993 113.993 111.654 2.339 25436 5032 1 9 . 1 1 51 51 GLY C C 51 174.252 174.252 172.983 1.269 25436 5033 1 9 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.408 -1.002 25436 5034 1 9 . 1 1 51 51 GLY H H 51 9.404 9.404 8.807 0.597 25436 5035 1 9 . 1 1 52 52 PHE N N 52 112.326 112.326 114.581 -2.255 25436 5036 1 9 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.599 -0.307 25436 5037 1 9 . 1 1 52 52 PHE C C 52 171.605 171.605 173.003 -1.398 25436 5038 1 9 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.359 0.895 25436 5039 1 9 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.488 -0.447 25436 5040 1 9 . 1 1 52 52 PHE H H 52 7.006 7.006 7.049 -0.043 25436 5041 1 9 . 1 1 53 53 ALA N N 53 119.722 119.722 119.333 0.389 25436 5042 1 9 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.914 -0.106 25436 5043 1 9 . 1 1 53 53 ALA C C 53 173.029 173.029 174.570 -1.541 25436 5044 1 9 . 1 1 53 53 ALA CA C 53 50.296 50.296 50.962 -0.666 25436 5045 1 9 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.545 2.254 25436 5046 1 9 . 1 1 53 53 ALA H H 53 8.677 8.677 8.576 0.101 25436 5047 1 9 . 1 1 54 54 PHE N N 54 112.104 112.104 116.647 -4.543 25436 5048 1 9 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.671 -0.091 25436 5049 1 9 . 1 1 54 54 PHE C C 54 175.794 175.794 174.428 1.366 25436 5050 1 9 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.882 -0.168 25436 5051 1 9 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.644 -0.358 25436 5052 1 9 . 1 1 54 54 PHE H H 54 8.797 8.797 8.967 -0.170 25436 5053 1 9 . 1 1 55 55 VAL N N 55 118.542 118.542 120.283 -1.741 25436 5054 1 9 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.406 -0.193 25436 5055 1 9 . 1 1 55 55 VAL C C 55 172.806 172.806 173.505 -0.699 25436 5056 1 9 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.020 0.908 25436 5057 1 9 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.941 -1.021 25436 5058 1 9 . 1 1 55 55 VAL H H 55 8.295 8.295 8.681 -0.386 25436 5059 1 9 . 1 1 56 56 GLN N N 56 128.473 128.473 124.835 3.638 25436 5060 1 9 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.776 -0.206 25436 5061 1 9 . 1 1 56 56 GLN C C 56 173.893 173.893 174.224 -0.331 25436 5062 1 9 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.867 0.397 25436 5063 1 9 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.855 1.215 25436 5064 1 9 . 1 1 56 56 GLN H H 56 9.263 9.263 8.899 0.364 25436 5065 1 9 . 1 1 57 57 TYR N N 57 127.679 127.679 125.356 2.323 25436 5066 1 9 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.278 0.009 25436 5067 1 9 . 1 1 57 57 TYR C C 57 175.609 175.609 177.066 -1.457 25436 5068 1 9 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.344 1.323 25436 5069 1 9 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.080 -0.045 25436 5070 1 9 . 1 1 57 57 TYR H H 57 8.928 8.928 8.975 -0.047 25436 5071 1 9 . 1 1 58 58 VAL N N 58 116.710 116.710 117.780 -1.070 25436 5072 1 9 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.888 0.227 25436 5073 1 9 . 1 1 58 58 VAL C C 58 175.859 175.859 174.726 1.133 25436 5074 1 9 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.475 -0.417 25436 5075 1 9 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.164 0.849 25436 5076 1 9 . 1 1 58 58 VAL H H 58 9.479 9.479 8.671 0.808 25436 5077 1 9 . 1 1 59 59 ASN N N 59 112.455 112.455 113.105 -0.650 25436 5078 1 9 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.803 0.356 25436 5079 1 9 . 1 1 59 59 ASN C C 59 174.482 174.482 175.242 -0.760 25436 5080 1 9 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.948 -0.006 25436 5081 1 9 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.264 1.928 25436 5082 1 9 . 1 1 59 59 ASN H H 59 7.218 7.218 7.530 -0.312 25436 5083 1 9 . 1 1 60 60 GLU N N 60 124.337 124.337 121.102 3.235 25436 5084 1 9 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.325 -0.006 25436 5085 1 9 . 1 1 60 60 GLU C C 60 178.201 178.201 178.096 0.105 25436 5086 1 9 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.362 -0.622 25436 5087 1 9 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.928 0.429 25436 5088 1 9 . 1 1 60 60 GLU H H 60 8.808 8.808 8.962 -0.154 25436 5089 1 9 . 1 1 61 61 ARG N N 61 118.265 118.265 119.939 -1.674 25436 5090 1 9 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.043 -0.046 25436 5091 1 9 . 1 1 61 61 ARG C C 61 179.340 179.340 178.604 0.736 25436 5092 1 9 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.565 0.914 25436 5093 1 9 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.346 0.007 25436 5094 1 9 . 1 1 61 61 ARG H H 61 8.630 8.630 7.787 0.843 25436 5095 1 9 . 1 1 62 62 ASN N N 62 118.081 118.081 118.096 -0.015 25436 5096 1 9 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.279 0.001 25436 5097 1 9 . 1 1 62 62 ASN C C 62 174.851 174.851 176.789 -1.938 25436 5098 1 9 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.212 0.240 25436 5099 1 9 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.301 0.717 25436 5100 1 9 . 1 1 62 62 ASN H H 62 7.785 7.785 8.906 -1.121 25436 5101 1 9 . 1 1 63 63 ALA N N 63 119.543 119.543 123.103 -3.560 25436 5102 1 9 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.459 -0.703 25436 5103 1 9 . 1 1 63 63 ALA C C 63 178.861 178.861 179.417 -0.556 25436 5104 1 9 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.163 -0.202 25436 5105 1 9 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.786 -0.246 25436 5106 1 9 . 1 1 63 63 ALA H H 63 6.779 6.779 7.450 -0.671 25436 5107 1 9 . 1 1 64 64 ARG N N 64 114.965 114.965 118.179 -3.214 25436 5108 1 9 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.132 -0.290 25436 5109 1 9 . 1 1 64 64 ARG C C 64 179.775 179.775 178.608 1.167 25436 5110 1 9 . 1 1 64 64 ARG CA C 64 60.190 60.190 58.715 1.475 25436 5111 1 9 . 1 1 64 64 ARG CB C 64 29.313 29.313 30.162 -0.849 25436 5112 1 9 . 1 1 64 64 ARG H H 64 8.755 8.755 8.020 0.735 25436 5113 1 9 . 1 1 65 65 ALA N N 65 123.704 123.704 122.353 1.351 25436 5114 1 9 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.033 0.097 25436 5115 1 9 . 1 1 65 65 ALA C C 65 179.560 179.560 178.279 1.281 25436 5116 1 9 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.777 0.202 25436 5117 1 9 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.261 -0.369 25436 5118 1 9 . 1 1 65 65 ALA H H 65 7.823 7.823 7.497 0.326 25436 5119 1 9 . 1 1 66 66 ALA N N 66 123.797 123.797 118.849 4.948 25436 5120 1 9 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.623 -1.547 25436 5121 1 9 . 1 1 66 66 ALA C C 66 179.259 179.259 179.373 -0.114 25436 5122 1 9 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.019 0.269 25436 5123 1 9 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.300 -0.026 25436 5124 1 9 . 1 1 66 66 ALA H H 66 7.545 7.545 7.450 0.095 25436 5125 1 9 . 1 1 67 67 VAL N N 67 116.549 116.549 117.527 -0.978 25436 5126 1 9 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.789 -0.435 25436 5127 1 9 . 1 1 67 67 VAL C C 67 177.744 177.744 176.380 1.364 25436 5128 1 9 . 1 1 67 67 VAL CA C 67 66.533 66.533 65.836 0.697 25436 5129 1 9 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.895 0.074 25436 5130 1 9 . 1 1 67 67 VAL H H 67 7.619 7.619 8.349 -0.730 25436 5131 1 9 . 1 1 68 68 ALA N N 68 118.193 118.193 119.472 -1.279 25436 5132 1 9 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.424 -0.297 25436 5133 1 9 . 1 1 68 68 ALA C C 68 180.748 180.748 178.029 2.719 25436 5134 1 9 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.630 1.730 25436 5135 1 9 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.244 -1.115 25436 5136 1 9 . 1 1 68 68 ALA H H 68 7.550 7.550 7.389 0.161 25436 5137 1 9 . 1 1 69 69 GLY N N 69 103.773 103.773 106.415 -2.642 25436 5138 1 9 . 1 1 69 69 GLY C C 69 175.626 175.626 175.433 0.193 25436 5139 1 9 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.464 0.662 25436 5140 1 9 . 1 1 69 69 GLY H H 69 8.140 8.140 7.316 0.824 25436 5141 1 9 . 1 1 70 70 GLU N N 70 114.547 114.547 117.594 -3.047 25436 5142 1 9 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.449 0.187 25436 5143 1 9 . 1 1 70 70 GLU C C 70 176.391 176.391 175.177 1.214 25436 5144 1 9 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.791 -0.632 25436 5145 1 9 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.585 -0.320 25436 5146 1 9 . 1 1 70 70 GLU H H 70 7.654 7.654 7.844 -0.190 25436 5147 1 9 . 1 1 71 71 ASP N N 71 118.202 118.202 120.486 -2.284 25436 5148 1 9 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.319 -0.032 25436 5149 1 9 . 1 1 71 71 ASP C C 71 178.698 178.698 177.788 0.910 25436 5150 1 9 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.124 1.407 25436 5151 1 9 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.982 0.389 25436 5152 1 9 . 1 1 71 71 ASP H H 71 8.020 8.020 7.542 0.478 25436 5153 1 9 . 1 1 72 72 GLY N N 72 114.301 114.301 114.576 -0.275 25436 5154 1 9 . 1 1 72 72 GLY C C 72 173.791 173.791 173.641 0.150 25436 5155 1 9 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.197 0.562 25436 5156 1 9 . 1 1 72 72 GLY H H 72 8.305 8.305 8.444 -0.139 25436 5157 1 9 . 1 1 73 73 ARG N N 73 121.994 121.994 118.492 3.502 25436 5158 1 9 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.531 -0.336 25436 5159 1 9 . 1 1 73 73 ARG C C 73 175.187 175.187 175.085 0.102 25436 5160 1 9 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.797 1.705 25436 5161 1 9 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.790 -0.538 25436 5162 1 9 . 1 1 73 73 ARG H H 73 7.980 7.980 7.757 0.223 25436 5163 1 9 . 1 1 74 74 MET N N 74 125.081 125.081 121.956 3.125 25436 5164 1 9 . 1 1 74 74 MET HA H 74 4.823 4.823 5.080 -0.257 25436 5165 1 9 . 1 1 74 74 MET C C 74 175.726 175.726 175.104 0.622 25436 5166 1 9 . 1 1 74 74 MET CA C 74 55.029 55.029 55.257 -0.228 25436 5167 1 9 . 1 1 74 74 MET CB C 74 33.092 33.092 34.688 -1.597 25436 5168 1 9 . 1 1 74 74 MET H H 74 8.712 8.712 8.432 0.280 25436 5169 1 9 . 1 1 75 75 ILE N N 75 127.490 127.490 125.516 1.974 25436 5170 1 9 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.490 -0.108 25436 5171 1 9 . 1 1 75 75 ILE C C 75 175.276 175.276 175.508 -0.232 25436 5172 1 9 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.832 -1.028 25436 5173 1 9 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.185 -0.789 25436 5174 1 9 . 1 1 75 75 ILE H H 75 8.589 8.589 8.975 -0.386 25436 5175 1 9 . 1 1 76 76 ALA N N 76 132.147 132.147 127.544 4.603 25436 5176 1 9 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.037 0.001 25436 5177 1 9 . 1 1 76 76 ALA C C 76 177.205 177.205 177.768 -0.563 25436 5178 1 9 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.099 -1.165 25436 5179 1 9 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.004 0.144 25436 5180 1 9 . 1 1 76 76 ALA H H 76 9.547 9.547 8.968 0.579 25436 5181 1 9 . 1 1 77 77 GLY N N 77 101.695 101.695 101.874 -0.179 25436 5182 1 9 . 1 1 77 77 GLY C C 77 174.205 174.205 174.172 0.033 25436 5183 1 9 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.956 0.807 25436 5184 1 9 . 1 1 77 77 GLY H H 77 8.445 8.445 8.332 0.113 25436 5185 1 9 . 1 1 78 78 GLN N N 78 119.020 119.020 118.576 0.444 25436 5186 1 9 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.656 0.073 25436 5187 1 9 . 1 1 78 78 GLN C C 78 174.046 174.046 174.150 -0.104 25436 5188 1 9 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.463 -0.268 25436 5189 1 9 . 1 1 78 78 GLN CB C 78 31.889 31.889 33.137 -1.248 25436 5190 1 9 . 1 1 78 78 GLN H H 78 7.720 7.720 7.748 -0.028 25436 5191 1 9 . 1 1 79 79 VAL N N 79 123.374 123.374 121.543 1.831 25436 5192 1 9 . 1 1 79 79 VAL HA H 79 4.012 4.012 5.038 -1.026 25436 5193 1 9 . 1 1 79 79 VAL C C 79 176.347 176.347 175.778 0.569 25436 5194 1 9 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.361 1.294 25436 5195 1 9 . 1 1 79 79 VAL CB C 79 32.084 32.084 32.898 -0.814 25436 5196 1 9 . 1 1 79 79 VAL H H 79 8.532 8.532 8.541 -0.009 25436 5197 1 9 . 1 1 80 80 LEU N N 80 128.569 128.569 122.509 6.060 25436 5198 1 9 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.977 -0.690 25436 5199 1 9 . 1 1 80 80 LEU C C 80 176.521 176.521 175.033 1.488 25436 5200 1 9 . 1 1 80 80 LEU CA C 80 56.063 56.063 51.937 4.126 25436 5201 1 9 . 1 1 80 80 LEU CB C 80 42.821 42.821 42.713 0.108 25436 5202 1 9 . 1 1 80 80 LEU H H 80 9.014 9.014 8.118 0.896 25436 5203 1 9 . 1 1 81 81 ASP N N 81 124.359 124.359 122.532 1.827 25436 5204 1 9 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.131 0.094 25436 5205 1 9 . 1 1 81 81 ASP C C 81 174.659 174.659 175.348 -0.689 25436 5206 1 9 . 1 1 81 81 ASP CA C 81 52.955 52.955 53.638 -0.683 25436 5207 1 9 . 1 1 81 81 ASP CB C 81 42.672 42.672 42.089 0.583 25436 5208 1 9 . 1 1 81 81 ASP H H 81 7.850 7.850 8.293 -0.443 25436 5209 1 9 . 1 1 82 82 ILE N N 82 123.155 123.155 126.534 -3.379 25436 5210 1 9 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.992 0.410 25436 5211 1 9 . 1 1 82 82 ILE C C 82 174.520 174.520 175.156 -0.636 25436 5212 1 9 . 1 1 82 82 ILE CA C 82 59.232 59.232 59.999 -0.767 25436 5213 1 9 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.796 1.167 25436 5214 1 9 . 1 1 82 82 ILE H H 82 9.086 9.086 8.669 0.417 25436 5215 1 9 . 1 1 83 83 ASN N N 83 116.417 116.417 122.431 -6.014 25436 5216 1 9 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.963 -0.116 25436 5217 1 9 . 1 1 83 83 ASN C C 83 174.565 174.565 173.690 0.875 25436 5218 1 9 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.073 0.975 25436 5219 1 9 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.355 0.755 25436 5220 1 9 . 1 1 83 83 ASN H H 83 8.495 8.495 8.531 -0.036 25436 5221 1 9 . 1 1 84 84 LEU N N 84 123.786 123.786 122.789 0.997 25436 5222 1 9 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.380 0.342 25436 5223 1 9 . 1 1 84 84 LEU C C 84 180.968 180.968 178.548 2.420 25436 5224 1 9 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.054 0.246 25436 5225 1 9 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.564 -1.248 25436 5226 1 9 . 1 1 84 84 LEU H H 84 9.427 9.427 8.860 0.567 25436 5227 1 9 . 1 1 85 85 ALA N N 85 127.571 127.571 127.578 -0.007 25436 5228 1 9 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.359 -0.311 25436 5229 1 9 . 1 1 85 85 ALA C C 85 177.931 177.931 176.637 1.294 25436 5230 1 9 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.159 2.137 25436 5231 1 9 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.131 -1.178 25436 5232 1 9 . 1 1 85 85 ALA H H 85 9.295 9.295 8.331 0.964 25436 5233 1 9 . 1 1 86 86 ALA N N 86 115.985 115.985 118.264 -2.279 25436 5234 1 9 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.421 -0.010 25436 5235 1 9 . 1 1 86 86 ALA C C 86 176.152 176.152 176.679 -0.527 25436 5236 1 9 . 1 1 86 86 ALA CA C 86 51.772 51.772 52.000 -0.228 25436 5237 1 9 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.302 0.023 25436 5238 1 9 . 1 1 86 86 ALA H H 86 8.657 8.657 8.147 0.510 25436 5239 1 9 . 1 1 87 87 GLU N N 87 118.975 118.975 119.540 -0.565 25436 5240 1 9 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.619 0.116 25436 5241 1 9 . 1 1 87 87 GLU C C 87 171.676 171.676 174.011 -2.335 25436 5242 1 9 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.344 -0.196 25436 5243 1 9 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.943 -0.027 25436 5244 1 9 . 1 1 87 87 GLU H H 87 7.913 7.913 7.696 0.217 25436 5245 1 9 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.491 -0.144 25436 5246 1 9 . 1 1 88 88 PRO C C 88 177.303 177.303 176.283 1.020 25436 5247 1 9 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.478 -0.600 25436 5248 1 9 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.420 -0.518 25436 5249 1 9 . 1 1 89 89 LYS N N 89 121.335 121.335 122.079 -0.744 25436 5250 1 9 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.353 -0.113 25436 5251 1 9 . 1 1 89 89 LYS C C 89 177.689 177.689 175.807 1.882 25436 5252 1 9 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.465 0.286 25436 5253 1 9 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.398 0.038 25436 5254 1 9 . 1 1 89 89 LYS H H 89 8.020 8.020 8.434 -0.414 25436 5255 1 9 . 1 1 90 90 VAL N N 90 120.786 120.786 121.216 -0.430 25436 5256 1 9 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.093 -0.171 25436 5257 1 9 . 1 1 90 90 VAL C C 90 176.169 176.169 176.072 0.097 25436 5258 1 9 . 1 1 90 90 VAL CA C 90 63.298 63.298 62.072 1.226 25436 5259 1 9 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.434 -1.167 25436 5260 1 9 . 1 1 90 90 VAL H H 90 8.232 8.232 7.979 0.253 25436 5261 1 9 . 1 1 91 91 ASN N N 91 119.214 119.214 121.767 -2.553 25436 5262 1 9 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.690 -0.031 25436 5263 1 9 . 1 1 91 91 ASN C C 91 175.172 175.172 174.897 0.275 25436 5264 1 9 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.475 -0.447 25436 5265 1 9 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.763 -0.594 25436 5266 1 9 . 1 1 91 91 ASN H H 91 8.453 8.453 8.565 -0.112 25436 5267 1 9 . 1 1 92 92 ARG N N 92 120.709 120.709 118.870 1.839 25436 5268 1 9 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.124 0.130 25436 5269 1 9 . 1 1 92 92 ARG C C 92 176.991 176.991 176.561 0.430 25436 5270 1 9 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.338 0.162 25436 5271 1 9 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.246 2.361 25436 5272 1 9 . 1 1 92 92 ARG H H 92 7.925 7.925 8.138 -0.213 25436 5273 1 9 . 1 1 93 93 GLY N N 93 110.299 110.299 105.841 4.458 25436 5274 1 9 . 1 1 93 93 GLY C C 93 174.245 174.245 174.296 -0.051 25436 5275 1 9 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.945 0.471 25436 5276 1 9 . 1 1 93 93 GLY H H 93 8.593 8.593 8.791 -0.198 25436 5277 1 9 . 1 1 94 94 LYS N N 94 120.781 120.781 116.489 4.292 25436 5278 1 9 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.912 0.382 25436 5279 1 9 . 1 1 94 94 LYS C C 94 176.524 176.524 174.839 1.685 25436 5280 1 9 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.175 -1.067 25436 5281 1 9 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.616 1.524 25436 5282 1 9 . 1 1 94 94 LYS H H 94 8.126 8.126 8.103 0.023 25436 5283 1 9 . 1 1 95 95 ALA N N 95 125.012 125.012 119.606 5.406 25436 5284 1 9 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.629 -0.330 25436 5285 1 9 . 1 1 95 95 ALA C C 95 178.324 178.324 176.155 2.169 25436 5286 1 9 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.653 1.148 25436 5287 1 9 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.885 -1.707 25436 5288 1 9 . 1 1 95 95 ALA H H 95 8.435 8.435 7.505 0.930 25436 5289 1 9 . 1 1 96 96 GLY N N 96 108.312 108.312 108.625 -0.313 25436 5290 1 9 . 1 1 96 96 GLY C C 96 174.095 174.095 174.896 -0.801 25436 5291 1 9 . 1 1 96 96 GLY CA C 96 45.282 45.282 45.398 -0.116 25436 5292 1 9 . 1 1 96 96 GLY H H 96 8.414 8.414 8.442 -0.028 25436 5293 1 9 . 1 1 97 97 VAL N N 97 119.818 119.818 118.892 0.926 25436 5294 1 9 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.043 0.029 25436 5295 1 9 . 1 1 97 97 VAL C C 97 176.155 176.155 176.256 -0.101 25436 5296 1 9 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.745 -1.401 25436 5297 1 9 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.562 1.195 25436 5298 1 9 . 1 1 97 97 VAL H H 97 7.919 7.919 8.225 -0.306 25436 5299 1 9 . 1 1 98 98 LYS N N 98 125.912 125.912 119.994 5.918 25436 5300 1 9 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.680 -0.347 25436 5301 1 9 . 1 1 98 98 LYS C C 98 176.426 176.426 175.844 0.582 25436 5302 1 9 . 1 1 98 98 LYS CA C 98 56.169 56.169 54.709 1.460 25436 5303 1 9 . 1 1 98 98 LYS CB C 98 33.048 33.048 33.608 -0.559 25436 5304 1 9 . 1 1 98 98 LYS H H 98 8.466 8.466 7.655 0.811 25436 5305 1 9 . 1 1 99 99 ARG N N 99 123.544 123.544 120.850 2.694 25436 5306 1 9 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.320 0.049 25436 5307 1 9 . 1 1 99 99 ARG C C 99 176.230 176.230 176.322 -0.092 25436 5308 1 9 . 1 1 99 99 ARG CA C 99 55.994 55.994 56.126 -0.132 25436 5309 1 9 . 1 1 99 99 ARG CB C 99 31.164 31.164 30.817 0.347 25436 5310 1 9 . 1 1 99 99 ARG H H 99 8.468 8.468 8.484 -0.016 25436 5311 1 9 . 1 1 100 100 SER N N 100 117.781 117.781 115.313 2.468 25436 5312 1 9 . 1 1 100 100 SER HA H 100 4.452 4.452 4.431 0.021 25436 5313 1 9 . 1 1 100 100 SER C C 100 174.555 174.555 175.946 -1.391 25436 5314 1 9 . 1 1 100 100 SER CA C 100 58.036 58.036 57.535 0.501 25436 5315 1 9 . 1 1 100 100 SER CB C 100 64.139 64.139 63.975 0.164 25436 5316 1 9 . 1 1 100 100 SER H H 100 8.507 8.507 8.395 0.112 25436 5317 1 9 . 1 1 101 101 ALA N N 101 126.090 126.090 127.816 -1.726 25436 5318 1 9 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.214 0.056 25436 5319 1 9 . 1 1 101 101 ALA C C 101 178.046 178.046 177.267 0.779 25436 5320 1 9 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.798 -0.528 25436 5321 1 9 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.613 0.419 25436 5322 1 9 . 1 1 101 101 ALA H H 101 8.529 8.529 8.702 -0.173 25436 5323 1 9 . 1 1 102 102 ALA N N 102 121.750 121.750 117.927 3.823 25436 5324 1 9 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.495 -0.268 25436 5325 1 9 . 1 1 102 102 ALA C C 102 178.253 178.253 178.312 -0.059 25436 5326 1 9 . 1 1 102 102 ALA CA C 102 52.995 52.995 53.099 -0.104 25436 5327 1 9 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.550 -0.472 25436 5328 1 9 . 1 1 102 102 ALA H H 102 8.219 8.219 7.518 0.701 25436 5329 1 9 . 1 1 103 103 GLU N N 103 118.819 118.819 117.076 1.743 25436 5330 1 9 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.524 -0.322 25436 5331 1 9 . 1 1 103 103 GLU C C 103 176.515 176.515 176.700 -0.185 25436 5332 1 9 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.767 0.902 25436 5333 1 9 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.527 -0.365 25436 5334 1 9 . 1 1 103 103 GLU H H 103 8.100 8.100 7.944 0.156 25436 5335 1 9 . 1 1 104 104 MET N N 104 120.178 120.178 119.392 0.786 25436 5336 1 9 . 1 1 104 104 MET HA H 104 4.332 4.332 4.225 0.107 25436 5337 1 9 . 1 1 104 104 MET C C 104 175.861 175.861 177.230 -1.369 25436 5338 1 9 . 1 1 104 104 MET CA C 104 55.869 55.869 54.977 0.892 25436 5339 1 9 . 1 1 104 104 MET CB C 104 32.993 32.993 33.459 -0.466 25436 5340 1 9 . 1 1 104 104 MET H H 104 8.086 8.086 7.584 0.502 25436 5341 1 9 . 1 1 105 105 TYR N N 105 120.369 120.369 119.604 0.765 25436 5342 1 9 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.342 0.310 25436 5343 1 9 . 1 1 105 105 TYR C C 105 175.318 175.318 177.453 -2.135 25436 5344 1 9 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.531 -0.945 25436 5345 1 9 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.000 0.891 25436 5346 1 9 . 1 1 105 105 TYR H H 105 8.137 8.137 8.305 -0.168 25436 5347 1 10 . 1 1 3 3 SER HA H 3 4.564 4.564 4.555 0.009 25436 5348 1 10 . 1 1 3 3 SER C C 3 173.407 173.407 174.998 -1.591 25436 5349 1 10 . 1 1 3 3 SER CA C 3 58.309 58.309 56.737 1.572 25436 5350 1 10 . 1 1 3 3 SER CB C 3 63.980 63.980 64.088 -0.109 25436 5351 1 10 . 1 1 4 4 ASN N N 4 120.204 120.204 119.182 1.022 25436 5352 1 10 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.120 0.097 25436 5353 1 10 . 1 1 4 4 ASN C C 4 176.242 176.242 173.820 2.422 25436 5354 1 10 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.560 0.475 25436 5355 1 10 . 1 1 4 4 ASN CB C 4 38.715 38.715 39.204 -0.489 25436 5356 1 10 . 1 1 4 4 ASN H H 4 8.783 8.783 8.583 0.200 25436 5357 1 10 . 1 1 5 5 VAL N N 5 122.598 122.598 119.456 3.142 25436 5358 1 10 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.343 -0.573 25436 5359 1 10 . 1 1 5 5 VAL C C 5 177.222 177.222 174.495 2.727 25436 5360 1 10 . 1 1 5 5 VAL CA C 5 65.806 65.806 60.635 5.171 25436 5361 1 10 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.383 -2.528 25436 5362 1 10 . 1 1 5 5 VAL H H 5 8.326 8.326 7.495 0.831 25436 5363 1 10 . 1 1 6 6 THR N N 6 118.450 118.450 117.514 0.936 25436 5364 1 10 . 1 1 6 6 THR HA H 6 4.682 4.682 4.561 0.121 25436 5365 1 10 . 1 1 6 6 THR C C 6 174.349 174.349 173.345 1.004 25436 5366 1 10 . 1 1 6 6 THR CA C 6 60.542 60.542 61.843 -1.301 25436 5367 1 10 . 1 1 6 6 THR CB C 6 69.771 69.771 69.344 0.427 25436 5368 1 10 . 1 1 6 6 THR H H 6 9.391 9.391 8.343 1.048 25436 5369 1 10 . 1 1 7 7 ASN N N 7 120.847 120.847 117.558 3.289 25436 5370 1 10 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.463 0.092 25436 5371 1 10 . 1 1 7 7 ASN C C 7 176.863 176.863 175.826 1.037 25436 5372 1 10 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.649 -0.740 25436 5373 1 10 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.648 0.411 25436 5374 1 10 . 1 1 7 7 ASN H H 7 7.970 7.970 7.972 -0.002 25436 5375 1 10 . 1 1 8 8 LYS N N 8 121.736 121.736 121.053 0.683 25436 5376 1 10 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.232 0.022 25436 5377 1 10 . 1 1 8 8 LYS C C 8 180.141 180.141 177.591 2.550 25436 5378 1 10 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.414 1.807 25436 5379 1 10 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.805 -0.515 25436 5380 1 10 . 1 1 8 8 LYS H H 8 8.577 8.577 8.017 0.560 25436 5381 1 10 . 1 1 9 9 THR N N 9 110.800 110.800 110.281 0.519 25436 5382 1 10 . 1 1 9 9 THR HA H 9 4.467 4.467 4.386 0.081 25436 5383 1 10 . 1 1 9 9 THR C C 9 174.484 174.484 173.374 1.110 25436 5384 1 10 . 1 1 9 9 THR CA C 9 61.242 61.242 61.157 0.085 25436 5385 1 10 . 1 1 9 9 THR CB C 9 69.009 69.009 69.265 -0.256 25436 5386 1 10 . 1 1 9 9 THR H H 9 8.695 8.695 8.239 0.456 25436 5387 1 10 . 1 1 10 10 ASP N N 10 120.937 120.937 123.992 -3.055 25436 5388 1 10 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.756 0.067 25436 5389 1 10 . 1 1 10 10 ASP C C 10 173.945 173.945 176.769 -2.824 25436 5390 1 10 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.503 -1.017 25436 5391 1 10 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.540 -1.990 25436 5392 1 10 . 1 1 10 10 ASP H H 10 7.908 7.908 7.950 -0.042 25436 5393 1 10 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.397 -0.247 25436 5394 1 10 . 1 1 11 11 PRO C C 11 178.420 178.420 176.491 1.929 25436 5395 1 10 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.742 1.471 25436 5396 1 10 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.023 0.132 25436 5397 1 10 . 1 1 12 12 ARG N N 12 116.349 116.349 113.593 2.756 25436 5398 1 10 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.813 -0.718 25436 5399 1 10 . 1 1 12 12 ARG C C 12 180.445 180.445 176.573 3.872 25436 5400 1 10 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.190 3.381 25436 5401 1 10 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.863 -0.628 25436 5402 1 10 . 1 1 12 12 ARG H H 12 7.944 7.944 8.026 -0.082 25436 5403 1 10 . 1 1 13 13 SER N N 13 119.401 119.401 115.911 3.490 25436 5404 1 10 . 1 1 13 13 SER HA H 13 4.053 4.053 4.665 -0.612 25436 5405 1 10 . 1 1 13 13 SER C C 13 175.325 175.325 175.545 -0.220 25436 5406 1 10 . 1 1 13 13 SER CA C 13 61.500 61.500 59.332 2.168 25436 5407 1 10 . 1 1 13 13 SER CB C 13 61.798 61.798 63.902 -2.104 25436 5408 1 10 . 1 1 13 13 SER H H 13 8.152 8.152 7.697 0.455 25436 5409 1 10 . 1 1 14 14 MET N N 14 120.254 120.254 117.785 2.469 25436 5410 1 10 . 1 1 14 14 MET HA H 14 4.090 4.090 4.322 -0.232 25436 5411 1 10 . 1 1 14 14 MET C C 14 178.575 178.575 175.547 3.028 25436 5412 1 10 . 1 1 14 14 MET CA C 14 58.317 58.317 57.360 0.957 25436 5413 1 10 . 1 1 14 14 MET CB C 14 31.466 31.466 33.117 -1.651 25436 5414 1 10 . 1 1 14 14 MET H H 14 8.241 8.241 7.984 0.257 25436 5415 1 10 . 1 1 15 15 ASN N N 15 115.299 115.299 109.184 6.115 25436 5416 1 10 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.850 -0.224 25436 5417 1 10 . 1 1 15 15 ASN C C 15 172.554 172.554 176.277 -3.723 25436 5418 1 10 . 1 1 15 15 ASN CA C 15 54.060 54.060 52.949 1.111 25436 5419 1 10 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.761 -0.965 25436 5420 1 10 . 1 1 15 15 ASN H H 15 7.962 7.962 8.120 -0.158 25436 5421 1 10 . 1 1 16 16 SER N N 16 106.079 106.079 114.148 -8.069 25436 5422 1 10 . 1 1 16 16 SER HA H 16 4.500 4.500 4.660 -0.160 25436 5423 1 10 . 1 1 16 16 SER C C 16 172.120 172.120 174.058 -1.938 25436 5424 1 10 . 1 1 16 16 SER CA C 16 56.814 56.814 58.629 -1.815 25436 5425 1 10 . 1 1 16 16 SER CB C 16 63.439 63.439 63.694 -0.255 25436 5426 1 10 . 1 1 16 16 SER H H 16 7.249 7.249 7.628 -0.379 25436 5427 1 10 . 1 1 17 17 ARG N N 17 123.335 123.335 122.365 0.970 25436 5428 1 10 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.301 0.284 25436 5429 1 10 . 1 1 17 17 ARG C C 17 174.490 174.490 174.653 -0.163 25436 5430 1 10 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.963 -0.599 25436 5431 1 10 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.863 -1.005 25436 5432 1 10 . 1 1 17 17 ARG H H 17 7.400 7.400 7.471 -0.071 25436 5433 1 10 . 1 1 18 18 VAL N N 18 122.241 122.241 122.610 -0.369 25436 5434 1 10 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.513 0.204 25436 5435 1 10 . 1 1 18 18 VAL C C 18 174.862 174.862 174.132 0.730 25436 5436 1 10 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.264 -0.541 25436 5437 1 10 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.732 -0.451 25436 5438 1 10 . 1 1 18 18 VAL H H 18 9.264 9.264 9.016 0.248 25436 5439 1 10 . 1 1 19 19 PHE N N 19 125.933 125.933 128.882 -2.949 25436 5440 1 10 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.362 0.104 25436 5441 1 10 . 1 1 19 19 PHE C C 19 171.966 171.966 173.322 -1.356 25436 5442 1 10 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.101 2.022 25436 5443 1 10 . 1 1 19 19 PHE CB C 19 40.945 40.945 42.021 -1.076 25436 5444 1 10 . 1 1 19 19 PHE H H 19 9.162 9.162 9.000 0.162 25436 5445 1 10 . 1 1 20 20 ILE N N 20 126.425 126.425 126.683 -0.258 25436 5446 1 10 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.367 -0.498 25436 5447 1 10 . 1 1 20 20 ILE C C 20 173.048 173.048 174.047 -0.999 25436 5448 1 10 . 1 1 20 20 ILE CA C 20 59.330 59.330 59.930 -0.600 25436 5449 1 10 . 1 1 20 20 ILE CB C 20 39.035 39.035 39.762 -0.727 25436 5450 1 10 . 1 1 20 20 ILE H H 20 7.723 7.723 7.919 -0.196 25436 5451 1 10 . 1 1 21 21 GLY N N 21 113.255 113.255 111.874 1.381 25436 5452 1 10 . 1 1 21 21 GLY C C 21 173.768 173.768 174.063 -0.295 25436 5453 1 10 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.754 1.176 25436 5454 1 10 . 1 1 21 21 GLY H H 21 8.498 8.498 8.699 -0.201 25436 5455 1 10 . 1 1 22 22 ASN N N 22 116.172 116.172 116.352 -0.180 25436 5456 1 10 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.303 0.126 25436 5457 1 10 . 1 1 22 22 ASN C C 22 174.204 174.204 174.669 -0.465 25436 5458 1 10 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.123 -0.605 25436 5459 1 10 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.243 0.532 25436 5460 1 10 . 1 1 22 22 ASN H H 22 7.227 7.227 8.436 -1.209 25436 5461 1 10 . 1 1 23 23 LEU N N 23 119.429 119.429 119.518 -0.089 25436 5462 1 10 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.324 -0.381 25436 5463 1 10 . 1 1 23 23 LEU C C 23 176.550 176.550 177.403 -0.853 25436 5464 1 10 . 1 1 23 23 LEU CA C 23 52.577 52.577 55.002 -2.425 25436 5465 1 10 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.236 1.132 25436 5466 1 10 . 1 1 23 23 LEU H H 23 7.110 7.110 7.501 -0.391 25436 5467 1 10 . 1 1 24 24 ASN N N 24 122.292 122.292 122.669 -0.377 25436 5468 1 10 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.641 0.431 25436 5469 1 10 . 1 1 24 24 ASN C C 24 175.830 175.830 175.546 0.284 25436 5470 1 10 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.271 -1.770 25436 5471 1 10 . 1 1 24 24 ASN CB C 24 35.591 35.591 36.853 -1.262 25436 5472 1 10 . 1 1 24 24 ASN H H 24 8.975 8.975 8.875 0.100 25436 5473 1 10 . 1 1 25 25 THR N N 25 118.371 118.371 113.288 5.083 25436 5474 1 10 . 1 1 25 25 THR HA H 25 4.411 4.411 4.073 0.338 25436 5475 1 10 . 1 1 25 25 THR C C 25 175.285 175.285 175.362 -0.077 25436 5476 1 10 . 1 1 25 25 THR CA C 25 63.453 63.453 64.241 -0.788 25436 5477 1 10 . 1 1 25 25 THR CB C 25 67.150 67.150 68.394 -1.244 25436 5478 1 10 . 1 1 25 25 THR H H 25 8.466 8.466 8.289 0.177 25436 5479 1 10 . 1 1 26 26 LEU N N 26 121.017 121.017 118.408 2.609 25436 5480 1 10 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.333 -0.126 25436 5481 1 10 . 1 1 26 26 LEU C C 26 178.243 178.243 177.172 1.071 25436 5482 1 10 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.089 0.650 25436 5483 1 10 . 1 1 26 26 LEU CB C 26 41.132 41.132 41.944 -0.812 25436 5484 1 10 . 1 1 26 26 LEU H H 26 7.583 7.583 7.693 -0.110 25436 5485 1 10 . 1 1 27 27 VAL N N 27 115.968 115.968 115.137 0.831 25436 5486 1 10 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.176 -0.151 25436 5487 1 10 . 1 1 27 27 VAL C C 27 175.199 175.199 176.281 -1.082 25436 5488 1 10 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.811 0.398 25436 5489 1 10 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.158 1.024 25436 5490 1 10 . 1 1 27 27 VAL H H 27 6.846 6.846 7.818 -0.972 25436 5491 1 10 . 1 1 28 28 VAL N N 28 121.753 121.753 120.837 0.916 25436 5492 1 10 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.945 -0.078 25436 5493 1 10 . 1 1 28 28 VAL C C 28 174.351 174.351 174.538 -0.187 25436 5494 1 10 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.153 1.027 25436 5495 1 10 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.032 -0.987 25436 5496 1 10 . 1 1 28 28 VAL H H 28 8.389 8.389 7.710 0.679 25436 5497 1 10 . 1 1 29 29 LYS N N 29 124.108 124.108 121.246 2.862 25436 5498 1 10 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.533 0.095 25436 5499 1 10 . 1 1 29 29 LYS C C 29 177.958 177.958 176.644 1.314 25436 5500 1 10 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.925 -0.265 25436 5501 1 10 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.252 0.204 25436 5502 1 10 . 1 1 29 29 LYS H H 29 8.929 8.929 8.004 0.925 25436 5503 1 10 . 1 1 30 30 LYS N N 30 123.352 123.352 122.224 1.128 25436 5504 1 10 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.939 -0.276 25436 5505 1 10 . 1 1 30 30 LYS C C 30 177.638 177.638 178.095 -0.457 25436 5506 1 10 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.711 1.689 25436 5507 1 10 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.173 0.483 25436 5508 1 10 . 1 1 30 30 LYS H H 30 8.994 8.994 8.722 0.272 25436 5509 1 10 . 1 1 31 31 SER N N 31 111.491 111.491 113.069 -1.578 25436 5510 1 10 . 1 1 31 31 SER HA H 31 4.175 4.175 4.357 -0.182 25436 5511 1 10 . 1 1 31 31 SER C C 31 177.616 177.616 174.958 2.658 25436 5512 1 10 . 1 1 31 31 SER CA C 31 61.402 61.402 59.925 1.476 25436 5513 1 10 . 1 1 31 31 SER CB C 31 61.541 61.541 62.946 -1.405 25436 5514 1 10 . 1 1 31 31 SER H H 31 8.686 8.686 8.353 0.333 25436 5515 1 10 . 1 1 32 32 ASP N N 32 122.114 122.114 122.238 -0.124 25436 5516 1 10 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.705 -0.181 25436 5517 1 10 . 1 1 32 32 ASP C C 32 178.193 178.193 178.337 -0.144 25436 5518 1 10 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.800 0.395 25436 5519 1 10 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.377 0.436 25436 5520 1 10 . 1 1 32 32 ASP H H 32 7.147 7.147 7.752 -0.605 25436 5521 1 10 . 1 1 33 33 VAL N N 33 120.064 120.064 120.609 -0.545 25436 5522 1 10 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.826 -0.358 25436 5523 1 10 . 1 1 33 33 VAL C C 33 178.623 178.623 176.994 1.629 25436 5524 1 10 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.384 0.953 25436 5525 1 10 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.845 -0.548 25436 5526 1 10 . 1 1 33 33 VAL H H 33 7.939 7.939 7.746 0.193 25436 5527 1 10 . 1 1 34 34 GLU N N 34 118.713 118.713 116.200 2.513 25436 5528 1 10 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.156 -0.397 25436 5529 1 10 . 1 1 34 34 GLU C C 34 178.700 178.700 176.223 2.477 25436 5530 1 10 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.527 2.976 25436 5531 1 10 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.239 0.091 25436 5532 1 10 . 1 1 34 34 GLU H H 34 8.641 8.641 7.797 0.844 25436 5533 1 10 . 1 1 35 35 ALA N N 35 121.519 121.519 120.198 1.321 25436 5534 1 10 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.546 -0.396 25436 5535 1 10 . 1 1 35 35 ALA C C 35 180.482 180.482 178.192 2.290 25436 5536 1 10 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.791 2.751 25436 5537 1 10 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.210 -2.153 25436 5538 1 10 . 1 1 35 35 ALA H H 35 7.818 7.818 7.665 0.153 25436 5539 1 10 . 1 1 36 36 ILE N N 36 117.410 117.410 117.961 -0.551 25436 5540 1 10 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.163 -0.495 25436 5541 1 10 . 1 1 36 36 ILE C C 36 178.664 178.664 176.395 2.269 25436 5542 1 10 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.858 1.932 25436 5543 1 10 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.474 0.311 25436 5544 1 10 . 1 1 36 36 ILE H H 36 7.778 7.778 7.610 0.168 25436 5545 1 10 . 1 1 37 37 PHE N N 37 113.502 113.502 117.137 -3.635 25436 5546 1 10 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.853 -0.490 25436 5547 1 10 . 1 1 37 37 PHE C C 37 179.622 179.622 177.288 2.334 25436 5548 1 10 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.568 4.135 25436 5549 1 10 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.465 -3.281 25436 5550 1 10 . 1 1 37 37 PHE H H 37 8.587 8.587 7.818 0.769 25436 5551 1 10 . 1 1 38 38 SER N N 38 122.010 122.010 115.537 6.473 25436 5552 1 10 . 1 1 38 38 SER HA H 38 4.819 4.819 4.707 0.112 25436 5553 1 10 . 1 1 38 38 SER C C 38 175.438 175.438 175.477 -0.039 25436 5554 1 10 . 1 1 38 38 SER CA C 38 61.462 61.462 59.680 1.782 25436 5555 1 10 . 1 1 38 38 SER CB C 38 62.737 62.737 62.857 -0.120 25436 5556 1 10 . 1 1 38 38 SER H H 38 8.827 8.827 8.669 0.158 25436 5557 1 10 . 1 1 39 39 LYS N N 39 119.345 119.345 117.672 1.673 25436 5558 1 10 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.180 -0.213 25436 5559 1 10 . 1 1 39 39 LYS C C 39 177.063 177.063 176.426 0.637 25436 5560 1 10 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.580 0.679 25436 5561 1 10 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.853 -0.291 25436 5562 1 10 . 1 1 39 39 LYS H H 39 7.057 7.057 8.088 -1.031 25436 5563 1 10 . 1 1 40 40 TYR N N 40 114.420 114.420 119.004 -4.584 25436 5564 1 10 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.571 -0.290 25436 5565 1 10 . 1 1 40 40 TYR C C 40 174.841 174.841 174.230 0.611 25436 5566 1 10 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.284 1.572 25436 5567 1 10 . 1 1 40 40 TYR CB C 40 38.361 38.361 39.969 -1.608 25436 5568 1 10 . 1 1 40 40 TYR H H 40 6.956 6.956 7.680 -0.724 25436 5569 1 10 . 1 1 41 41 GLY N N 41 106.506 106.506 105.161 1.345 25436 5570 1 10 . 1 1 41 41 GLY C C 41 170.572 170.572 172.428 -1.856 25436 5571 1 10 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.105 -0.534 25436 5572 1 10 . 1 1 41 41 GLY H H 41 7.430 7.430 7.324 0.106 25436 5573 1 10 . 1 1 42 42 LYS N N 42 117.771 117.771 121.274 -3.503 25436 5574 1 10 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.563 -0.362 25436 5575 1 10 . 1 1 42 42 LYS C C 42 176.535 176.535 176.328 0.207 25436 5576 1 10 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.702 2.430 25436 5577 1 10 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.636 0.320 25436 5578 1 10 . 1 1 42 42 LYS H H 42 8.037 8.037 8.200 -0.163 25436 5579 1 10 . 1 1 43 43 ILE N N 43 127.134 127.134 127.530 -0.396 25436 5580 1 10 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.432 -0.406 25436 5581 1 10 . 1 1 43 43 ILE C C 43 176.992 176.992 176.125 0.867 25436 5582 1 10 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.929 -0.533 25436 5583 1 10 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.589 0.278 25436 5584 1 10 . 1 1 43 43 ILE H H 43 8.720 8.720 8.547 0.173 25436 5585 1 10 . 1 1 44 44 VAL N N 44 121.988 121.988 120.139 1.849 25436 5586 1 10 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.557 -0.189 25436 5587 1 10 . 1 1 44 44 VAL C C 44 176.854 176.854 175.363 1.491 25436 5588 1 10 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.753 1.132 25436 5589 1 10 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.017 -0.545 25436 5590 1 10 . 1 1 44 44 VAL H H 44 8.707 8.707 9.006 -0.299 25436 5591 1 10 . 1 1 45 45 GLY N N 45 109.497 109.497 108.067 1.430 25436 5592 1 10 . 1 1 45 45 GLY C C 45 171.265 171.265 171.694 -0.429 25436 5593 1 10 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.583 -0.566 25436 5594 1 10 . 1 1 45 45 GLY H H 45 7.541 7.541 7.672 -0.131 25436 5595 1 10 . 1 1 46 46 CYS N N 46 124.565 124.565 121.113 3.452 25436 5596 1 10 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.391 -0.380 25436 5597 1 10 . 1 1 46 46 CYS C C 46 172.072 172.072 172.522 -0.450 25436 5598 1 10 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.533 0.451 25436 5599 1 10 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.884 -2.555 25436 5600 1 10 . 1 1 46 46 CYS H H 46 8.983 8.983 8.646 0.337 25436 5601 1 10 . 1 1 47 47 SER N N 47 122.911 122.911 119.841 3.070 25436 5602 1 10 . 1 1 47 47 SER HA H 47 4.906 4.906 4.771 0.135 25436 5603 1 10 . 1 1 47 47 SER C C 47 171.848 171.848 171.948 -0.100 25436 5604 1 10 . 1 1 47 47 SER CA C 47 56.487 56.487 57.304 -0.817 25436 5605 1 10 . 1 1 47 47 SER CB C 47 65.679 65.679 65.871 -0.192 25436 5606 1 10 . 1 1 47 47 SER H H 47 8.568 8.568 9.110 -0.542 25436 5607 1 10 . 1 1 48 48 VAL N N 48 121.488 121.488 121.406 0.082 25436 5608 1 10 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.089 0.053 25436 5609 1 10 . 1 1 48 48 VAL C C 48 173.990 173.990 173.634 0.356 25436 5610 1 10 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.616 1.631 25436 5611 1 10 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.165 -1.298 25436 5612 1 10 . 1 1 48 48 VAL H H 48 8.588 8.588 8.116 0.472 25436 5613 1 10 . 1 1 49 49 HIS N N 49 130.227 130.227 125.116 5.111 25436 5614 1 10 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.725 -0.316 25436 5615 1 10 . 1 1 49 49 HIS C C 49 173.949 173.949 173.860 0.089 25436 5616 1 10 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.399 0.267 25436 5617 1 10 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.389 -0.271 25436 5618 1 10 . 1 1 49 49 HIS H H 49 8.380 8.380 8.548 -0.168 25436 5619 1 10 . 1 1 50 50 LYS N N 50 121.171 121.171 119.927 1.244 25436 5620 1 10 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.021 0.413 25436 5621 1 10 . 1 1 50 50 LYS C C 50 175.527 175.527 177.376 -1.849 25436 5622 1 10 . 1 1 50 50 LYS CA C 50 55.918 55.918 55.916 0.002 25436 5623 1 10 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.150 -1.729 25436 5624 1 10 . 1 1 50 50 LYS H H 50 7.717 7.717 8.072 -0.355 25436 5625 1 10 . 1 1 51 51 GLY N N 51 113.993 113.993 112.212 1.781 25436 5626 1 10 . 1 1 51 51 GLY C C 51 174.252 174.252 173.020 1.232 25436 5627 1 10 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.480 -1.073 25436 5628 1 10 . 1 1 51 51 GLY H H 51 9.404 9.404 8.806 0.598 25436 5629 1 10 . 1 1 52 52 PHE N N 52 112.326 112.326 114.897 -2.571 25436 5630 1 10 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.596 -0.304 25436 5631 1 10 . 1 1 52 52 PHE C C 52 171.605 171.605 172.943 -1.338 25436 5632 1 10 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.400 0.854 25436 5633 1 10 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.469 -0.428 25436 5634 1 10 . 1 1 52 52 PHE H H 52 7.006 7.006 7.100 -0.094 25436 5635 1 10 . 1 1 53 53 ALA N N 53 119.722 119.722 119.086 0.636 25436 5636 1 10 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.871 -0.063 25436 5637 1 10 . 1 1 53 53 ALA C C 53 173.029 173.029 174.579 -1.550 25436 5638 1 10 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.079 -0.783 25436 5639 1 10 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.539 2.260 25436 5640 1 10 . 1 1 53 53 ALA H H 53 8.677 8.677 8.685 -0.008 25436 5641 1 10 . 1 1 54 54 PHE N N 54 112.104 112.104 116.659 -4.555 25436 5642 1 10 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.643 -0.063 25436 5643 1 10 . 1 1 54 54 PHE C C 54 175.794 175.794 174.153 1.641 25436 5644 1 10 . 1 1 54 54 PHE CA C 54 56.714 56.714 57.088 -0.374 25436 5645 1 10 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.427 -0.141 25436 5646 1 10 . 1 1 54 54 PHE H H 54 8.797 8.797 8.805 -0.008 25436 5647 1 10 . 1 1 55 55 VAL N N 55 118.542 118.542 120.840 -2.298 25436 5648 1 10 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.511 -0.298 25436 5649 1 10 . 1 1 55 55 VAL C C 55 172.806 172.806 174.040 -1.234 25436 5650 1 10 . 1 1 55 55 VAL CA C 55 61.928 61.928 60.998 0.930 25436 5651 1 10 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.886 -0.966 25436 5652 1 10 . 1 1 55 55 VAL H H 55 8.295 8.295 8.775 -0.480 25436 5653 1 10 . 1 1 56 56 GLN N N 56 128.473 128.473 123.518 4.955 25436 5654 1 10 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.757 -0.187 25436 5655 1 10 . 1 1 56 56 GLN C C 56 173.893 173.893 174.343 -0.450 25436 5656 1 10 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.970 0.294 25436 5657 1 10 . 1 1 56 56 GLN CB C 56 32.070 32.070 31.966 0.104 25436 5658 1 10 . 1 1 56 56 GLN H H 56 9.263 9.263 8.831 0.432 25436 5659 1 10 . 1 1 57 57 TYR N N 57 127.679 127.679 124.691 2.988 25436 5660 1 10 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.253 0.034 25436 5661 1 10 . 1 1 57 57 TYR C C 57 175.609 175.609 176.733 -1.124 25436 5662 1 10 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.302 1.366 25436 5663 1 10 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.421 -0.387 25436 5664 1 10 . 1 1 57 57 TYR H H 57 8.928 8.928 9.140 -0.212 25436 5665 1 10 . 1 1 58 58 VAL N N 58 116.710 116.710 116.713 -0.003 25436 5666 1 10 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.906 0.209 25436 5667 1 10 . 1 1 58 58 VAL C C 58 175.859 175.859 175.121 0.738 25436 5668 1 10 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.532 -0.474 25436 5669 1 10 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.155 0.858 25436 5670 1 10 . 1 1 58 58 VAL H H 58 9.479 9.479 8.731 0.748 25436 5671 1 10 . 1 1 59 59 ASN N N 59 112.455 112.455 112.604 -0.149 25436 5672 1 10 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.797 0.362 25436 5673 1 10 . 1 1 59 59 ASN C C 59 174.482 174.482 175.249 -0.767 25436 5674 1 10 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.920 0.022 25436 5675 1 10 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.181 2.011 25436 5676 1 10 . 1 1 59 59 ASN H H 59 7.218 7.218 7.486 -0.268 25436 5677 1 10 . 1 1 60 60 GLU N N 60 124.337 124.337 121.227 3.110 25436 5678 1 10 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.283 0.036 25436 5679 1 10 . 1 1 60 60 GLU C C 60 178.201 178.201 178.094 0.107 25436 5680 1 10 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.585 -0.845 25436 5681 1 10 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.933 0.424 25436 5682 1 10 . 1 1 60 60 GLU H H 60 8.808 8.808 9.007 -0.199 25436 5683 1 10 . 1 1 61 61 ARG N N 61 118.265 118.265 119.803 -1.538 25436 5684 1 10 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.047 -0.050 25436 5685 1 10 . 1 1 61 61 ARG C C 61 179.340 179.340 178.646 0.694 25436 5686 1 10 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.582 0.897 25436 5687 1 10 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.359 -0.005 25436 5688 1 10 . 1 1 61 61 ARG H H 61 8.630 8.630 7.804 0.826 25436 5689 1 10 . 1 1 62 62 ASN N N 62 118.081 118.081 118.037 0.044 25436 5690 1 10 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.275 0.005 25436 5691 1 10 . 1 1 62 62 ASN C C 62 174.851 174.851 176.740 -1.889 25436 5692 1 10 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.323 0.129 25436 5693 1 10 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.368 0.650 25436 5694 1 10 . 1 1 62 62 ASN H H 62 7.785 7.785 8.973 -1.188 25436 5695 1 10 . 1 1 63 63 ALA N N 63 119.543 119.543 123.306 -3.763 25436 5696 1 10 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.460 -0.704 25436 5697 1 10 . 1 1 63 63 ALA C C 63 178.861 178.861 179.606 -0.745 25436 5698 1 10 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.147 -0.186 25436 5699 1 10 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.811 -0.271 25436 5700 1 10 . 1 1 63 63 ALA H H 63 6.779 6.779 7.437 -0.658 25436 5701 1 10 . 1 1 64 64 ARG N N 64 114.965 114.965 118.869 -3.904 25436 5702 1 10 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.077 -0.235 25436 5703 1 10 . 1 1 64 64 ARG C C 64 179.775 179.775 178.603 1.172 25436 5704 1 10 . 1 1 64 64 ARG CA C 64 60.190 60.190 58.462 1.728 25436 5705 1 10 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.620 -0.307 25436 5706 1 10 . 1 1 64 64 ARG H H 64 8.755 8.755 8.274 0.481 25436 5707 1 10 . 1 1 65 65 ALA N N 65 123.704 123.704 121.686 2.018 25436 5708 1 10 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.076 0.054 25436 5709 1 10 . 1 1 65 65 ALA C C 65 179.560 179.560 178.429 1.131 25436 5710 1 10 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.834 0.145 25436 5711 1 10 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.205 -0.313 25436 5712 1 10 . 1 1 65 65 ALA H H 65 7.823 7.823 7.472 0.351 25436 5713 1 10 . 1 1 66 66 ALA N N 66 123.797 123.797 118.916 4.881 25436 5714 1 10 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.624 -1.548 25436 5715 1 10 . 1 1 66 66 ALA C C 66 179.259 179.259 179.305 -0.046 25436 5716 1 10 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.021 0.267 25436 5717 1 10 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.212 0.063 25436 5718 1 10 . 1 1 66 66 ALA H H 66 7.545 7.545 7.451 0.094 25436 5719 1 10 . 1 1 67 67 VAL N N 67 116.549 116.549 118.115 -1.566 25436 5720 1 10 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.813 -0.459 25436 5721 1 10 . 1 1 67 67 VAL C C 67 177.744 177.744 176.575 1.169 25436 5722 1 10 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.105 0.428 25436 5723 1 10 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.712 0.257 25436 5724 1 10 . 1 1 67 67 VAL H H 67 7.619 7.619 8.463 -0.844 25436 5725 1 10 . 1 1 68 68 ALA N N 68 118.193 118.193 119.679 -1.486 25436 5726 1 10 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.434 -0.307 25436 5727 1 10 . 1 1 68 68 ALA C C 68 180.748 180.748 177.879 2.869 25436 5728 1 10 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.788 1.573 25436 5729 1 10 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.335 -1.207 25436 5730 1 10 . 1 1 68 68 ALA H H 68 7.550 7.550 7.504 0.046 25436 5731 1 10 . 1 1 69 69 GLY N N 69 103.773 103.773 106.137 -2.364 25436 5732 1 10 . 1 1 69 69 GLY C C 69 175.626 175.626 175.278 0.348 25436 5733 1 10 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.379 0.747 25436 5734 1 10 . 1 1 69 69 GLY H H 69 8.140 8.140 7.442 0.698 25436 5735 1 10 . 1 1 70 70 GLU N N 70 114.547 114.547 118.064 -3.517 25436 5736 1 10 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.454 0.182 25436 5737 1 10 . 1 1 70 70 GLU C C 70 176.391 176.391 175.080 1.311 25436 5738 1 10 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.630 -0.471 25436 5739 1 10 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.461 -0.196 25436 5740 1 10 . 1 1 70 70 GLU H H 70 7.654 7.654 8.015 -0.361 25436 5741 1 10 . 1 1 71 71 ASP N N 71 118.202 118.202 120.468 -2.266 25436 5742 1 10 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.333 -0.046 25436 5743 1 10 . 1 1 71 71 ASP C C 71 178.698 178.698 177.722 0.976 25436 5744 1 10 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.102 1.429 25436 5745 1 10 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.963 0.408 25436 5746 1 10 . 1 1 71 71 ASP H H 71 8.020 8.020 7.561 0.459 25436 5747 1 10 . 1 1 72 72 GLY N N 72 114.301 114.301 114.643 -0.342 25436 5748 1 10 . 1 1 72 72 GLY C C 72 173.791 173.791 173.632 0.159 25436 5749 1 10 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.201 0.558 25436 5750 1 10 . 1 1 72 72 GLY H H 72 8.305 8.305 8.488 -0.183 25436 5751 1 10 . 1 1 73 73 ARG N N 73 121.994 121.994 118.420 3.574 25436 5752 1 10 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.538 -0.343 25436 5753 1 10 . 1 1 73 73 ARG C C 73 175.187 175.187 174.918 0.269 25436 5754 1 10 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.801 1.701 25436 5755 1 10 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.817 -0.565 25436 5756 1 10 . 1 1 73 73 ARG H H 73 7.980 7.980 7.729 0.251 25436 5757 1 10 . 1 1 74 74 MET N N 74 125.081 125.081 121.984 3.097 25436 5758 1 10 . 1 1 74 74 MET HA H 74 4.823 4.823 5.208 -0.385 25436 5759 1 10 . 1 1 74 74 MET C C 74 175.726 175.726 175.138 0.588 25436 5760 1 10 . 1 1 74 74 MET CA C 74 55.029 55.029 55.185 -0.156 25436 5761 1 10 . 1 1 74 74 MET CB C 74 33.092 33.092 34.639 -1.547 25436 5762 1 10 . 1 1 74 74 MET H H 74 8.712 8.712 8.407 0.305 25436 5763 1 10 . 1 1 75 75 ILE N N 75 127.490 127.490 125.313 2.177 25436 5764 1 10 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.489 -0.107 25436 5765 1 10 . 1 1 75 75 ILE C C 75 175.276 175.276 175.402 -0.126 25436 5766 1 10 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.772 -0.968 25436 5767 1 10 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.314 -0.918 25436 5768 1 10 . 1 1 75 75 ILE H H 75 8.589 8.589 9.006 -0.417 25436 5769 1 10 . 1 1 76 76 ALA N N 76 132.147 132.147 130.171 1.976 25436 5770 1 10 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.001 0.037 25436 5771 1 10 . 1 1 76 76 ALA C C 76 177.205 177.205 177.518 -0.313 25436 5772 1 10 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.008 -1.074 25436 5773 1 10 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.303 -0.155 25436 5774 1 10 . 1 1 76 76 ALA H H 76 9.547 9.547 8.843 0.704 25436 5775 1 10 . 1 1 77 77 GLY N N 77 101.695 101.695 102.114 -0.419 25436 5776 1 10 . 1 1 77 77 GLY C C 77 174.205 174.205 174.586 -0.381 25436 5777 1 10 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.854 0.909 25436 5778 1 10 . 1 1 77 77 GLY H H 77 8.445 8.445 8.216 0.229 25436 5779 1 10 . 1 1 78 78 GLN N N 78 119.020 119.020 118.871 0.149 25436 5780 1 10 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.784 -0.055 25436 5781 1 10 . 1 1 78 78 GLN C C 78 174.046 174.046 174.244 -0.198 25436 5782 1 10 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.024 0.171 25436 5783 1 10 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.313 -0.424 25436 5784 1 10 . 1 1 78 78 GLN H H 78 7.720 7.720 7.898 -0.178 25436 5785 1 10 . 1 1 79 79 VAL N N 79 123.374 123.374 120.958 2.416 25436 5786 1 10 . 1 1 79 79 VAL HA H 79 4.012 4.012 5.010 -0.998 25436 5787 1 10 . 1 1 79 79 VAL C C 79 176.347 176.347 175.609 0.738 25436 5788 1 10 . 1 1 79 79 VAL CA C 79 62.655 62.655 60.979 1.676 25436 5789 1 10 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.453 -1.369 25436 5790 1 10 . 1 1 79 79 VAL H H 79 8.532 8.532 8.358 0.174 25436 5791 1 10 . 1 1 80 80 LEU N N 80 128.569 128.569 122.378 6.191 25436 5792 1 10 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.973 -0.686 25436 5793 1 10 . 1 1 80 80 LEU C C 80 176.521 176.521 175.182 1.339 25436 5794 1 10 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.194 3.869 25436 5795 1 10 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.417 -0.597 25436 5796 1 10 . 1 1 80 80 LEU H H 80 9.014 9.014 8.227 0.787 25436 5797 1 10 . 1 1 81 81 ASP N N 81 124.359 124.359 121.922 2.437 25436 5798 1 10 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.305 -0.080 25436 5799 1 10 . 1 1 81 81 ASP C C 81 174.659 174.659 175.145 -0.486 25436 5800 1 10 . 1 1 81 81 ASP CA C 81 52.955 52.955 53.009 -0.054 25436 5801 1 10 . 1 1 81 81 ASP CB C 81 42.672 42.672 42.660 0.012 25436 5802 1 10 . 1 1 81 81 ASP H H 81 7.850 7.850 8.267 -0.417 25436 5803 1 10 . 1 1 82 82 ILE N N 82 123.155 123.155 126.428 -3.273 25436 5804 1 10 . 1 1 82 82 ILE HA H 82 5.402 5.402 5.105 0.297 25436 5805 1 10 . 1 1 82 82 ILE C C 82 174.520 174.520 174.590 -0.070 25436 5806 1 10 . 1 1 82 82 ILE CA C 82 59.232 59.232 59.921 -0.689 25436 5807 1 10 . 1 1 82 82 ILE CB C 82 40.963 40.963 40.981 -0.018 25436 5808 1 10 . 1 1 82 82 ILE H H 82 9.086 9.086 9.192 -0.106 25436 5809 1 10 . 1 1 83 83 ASN N N 83 116.417 116.417 120.384 -3.967 25436 5810 1 10 . 1 1 83 83 ASN HA H 83 4.847 4.847 5.016 -0.169 25436 5811 1 10 . 1 1 83 83 ASN C C 83 174.565 174.565 173.202 1.363 25436 5812 1 10 . 1 1 83 83 ASN CA C 83 53.048 53.048 51.722 1.326 25436 5813 1 10 . 1 1 83 83 ASN CB C 83 43.110 43.110 41.117 1.993 25436 5814 1 10 . 1 1 83 83 ASN H H 83 8.495 8.495 8.467 0.028 25436 5815 1 10 . 1 1 84 84 LEU N N 84 123.786 123.786 120.691 3.095 25436 5816 1 10 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.538 0.184 25436 5817 1 10 . 1 1 84 84 LEU C C 84 180.968 180.968 178.592 2.376 25436 5818 1 10 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.073 0.227 25436 5819 1 10 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.316 -2.000 25436 5820 1 10 . 1 1 84 84 LEU H H 84 9.427 9.427 8.974 0.453 25436 5821 1 10 . 1 1 85 85 ALA N N 85 127.571 127.571 128.113 -0.542 25436 5822 1 10 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.359 -0.311 25436 5823 1 10 . 1 1 85 85 ALA C C 85 177.931 177.931 176.788 1.143 25436 5824 1 10 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.352 1.944 25436 5825 1 10 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.056 -1.103 25436 5826 1 10 . 1 1 85 85 ALA H H 85 9.295 9.295 8.315 0.981 25436 5827 1 10 . 1 1 86 86 ALA N N 86 115.985 115.985 117.803 -1.818 25436 5828 1 10 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.428 -0.017 25436 5829 1 10 . 1 1 86 86 ALA C C 86 176.152 176.152 176.624 -0.472 25436 5830 1 10 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.983 -0.210 25436 5831 1 10 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.669 -0.344 25436 5832 1 10 . 1 1 86 86 ALA H H 86 8.657 8.657 8.113 0.544 25436 5833 1 10 . 1 1 87 87 GLU N N 87 118.975 118.975 119.613 -0.638 25436 5834 1 10 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.613 0.122 25436 5835 1 10 . 1 1 87 87 GLU C C 87 171.676 171.676 173.834 -2.158 25436 5836 1 10 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.309 -0.161 25436 5837 1 10 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.137 -0.220 25436 5838 1 10 . 1 1 87 87 GLU H H 87 7.913 7.913 7.915 -0.002 25436 5839 1 10 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.575 -0.228 25436 5840 1 10 . 1 1 88 88 PRO C C 88 177.303 177.303 176.353 0.950 25436 5841 1 10 . 1 1 88 88 PRO CA C 88 62.878 62.878 62.766 0.112 25436 5842 1 10 . 1 1 88 88 PRO CB C 88 31.902 31.902 31.770 0.133 25436 5843 1 10 . 1 1 89 89 LYS N N 89 121.335 121.335 125.002 -3.667 25436 5844 1 10 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.333 -0.093 25436 5845 1 10 . 1 1 89 89 LYS C C 89 177.689 177.689 176.285 1.404 25436 5846 1 10 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.970 -0.219 25436 5847 1 10 . 1 1 89 89 LYS CB C 89 33.436 33.436 32.711 0.725 25436 5848 1 10 . 1 1 89 89 LYS H H 89 8.020 8.020 8.447 -0.427 25436 5849 1 10 . 1 1 90 90 VAL N N 90 120.786 120.786 116.407 4.379 25436 5850 1 10 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.138 -0.216 25436 5851 1 10 . 1 1 90 90 VAL C C 90 176.169 176.169 175.615 0.554 25436 5852 1 10 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.388 1.910 25436 5853 1 10 . 1 1 90 90 VAL CB C 90 32.267 32.267 34.314 -2.047 25436 5854 1 10 . 1 1 90 90 VAL H H 90 8.232 8.232 7.635 0.597 25436 5855 1 10 . 1 1 91 91 ASN N N 91 119.214 119.214 122.361 -3.147 25436 5856 1 10 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.702 -0.043 25436 5857 1 10 . 1 1 91 91 ASN C C 91 175.172 175.172 174.966 0.206 25436 5858 1 10 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.374 -0.346 25436 5859 1 10 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.764 -0.595 25436 5860 1 10 . 1 1 91 91 ASN H H 91 8.453 8.453 8.791 -0.339 25436 5861 1 10 . 1 1 92 92 ARG N N 92 120.709 120.709 117.763 2.946 25436 5862 1 10 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.046 0.208 25436 5863 1 10 . 1 1 92 92 ARG C C 92 176.991 176.991 176.503 0.488 25436 5864 1 10 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.642 -0.142 25436 5865 1 10 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.557 2.050 25436 5866 1 10 . 1 1 92 92 ARG H H 92 7.925 7.925 8.355 -0.430 25436 5867 1 10 . 1 1 93 93 GLY N N 93 110.299 110.299 105.714 4.585 25436 5868 1 10 . 1 1 93 93 GLY C C 93 174.245 174.245 174.324 -0.079 25436 5869 1 10 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.932 0.484 25436 5870 1 10 . 1 1 93 93 GLY H H 93 8.593 8.593 8.667 -0.074 25436 5871 1 10 . 1 1 94 94 LYS N N 94 120.781 120.781 116.975 3.806 25436 5872 1 10 . 1 1 94 94 LYS HA H 94 4.294 4.294 4.006 0.288 25436 5873 1 10 . 1 1 94 94 LYS C C 94 176.524 176.524 175.031 1.493 25436 5874 1 10 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.235 -1.128 25436 5875 1 10 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.484 1.656 25436 5876 1 10 . 1 1 94 94 LYS H H 94 8.126 8.126 8.148 -0.022 25436 5877 1 10 . 1 1 95 95 ALA N N 95 125.012 125.012 119.244 5.768 25436 5878 1 10 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.608 -0.309 25436 5879 1 10 . 1 1 95 95 ALA C C 95 178.324 178.324 177.726 0.598 25436 5880 1 10 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.332 1.469 25436 5881 1 10 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.817 -1.639 25436 5882 1 10 . 1 1 95 95 ALA H H 95 8.435 8.435 7.423 1.012 25436 5883 1 10 . 1 1 96 96 GLY N N 96 108.312 108.312 107.382 0.930 25436 5884 1 10 . 1 1 96 96 GLY C C 96 174.095 174.095 175.050 -0.955 25436 5885 1 10 . 1 1 96 96 GLY CA C 96 45.282 45.282 45.834 -0.551 25436 5886 1 10 . 1 1 96 96 GLY H H 96 8.414 8.414 8.818 -0.404 25436 5887 1 10 . 1 1 97 97 VAL N N 97 119.818 119.818 119.260 0.558 25436 5888 1 10 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.942 0.130 25436 5889 1 10 . 1 1 97 97 VAL C C 97 176.155 176.155 176.187 -0.032 25436 5890 1 10 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.182 -0.838 25436 5891 1 10 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.910 0.847 25436 5892 1 10 . 1 1 97 97 VAL H H 97 7.919 7.919 7.566 0.353 25436 5893 1 10 . 1 1 98 98 LYS N N 98 125.912 125.912 120.553 5.359 25436 5894 1 10 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.347 -0.014 25436 5895 1 10 . 1 1 98 98 LYS C C 98 176.426 176.426 176.622 -0.196 25436 5896 1 10 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.674 0.495 25436 5897 1 10 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.965 0.083 25436 5898 1 10 . 1 1 98 98 LYS H H 98 8.466 8.466 7.295 1.171 25436 5899 1 10 . 1 1 99 99 ARG N N 99 123.544 123.544 120.707 2.837 25436 5900 1 10 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.243 0.126 25436 5901 1 10 . 1 1 99 99 ARG C C 99 176.230 176.230 176.228 0.002 25436 5902 1 10 . 1 1 99 99 ARG CA C 99 55.994 55.994 56.084 -0.090 25436 5903 1 10 . 1 1 99 99 ARG CB C 99 31.164 31.164 30.672 0.492 25436 5904 1 10 . 1 1 99 99 ARG H H 99 8.468 8.468 8.461 0.007 25436 5905 1 10 . 1 1 100 100 SER N N 100 117.781 117.781 114.986 2.795 25436 5906 1 10 . 1 1 100 100 SER HA H 100 4.452 4.452 4.657 -0.205 25436 5907 1 10 . 1 1 100 100 SER C C 100 174.555 174.555 175.779 -1.224 25436 5908 1 10 . 1 1 100 100 SER CA C 100 58.036 58.036 57.774 0.262 25436 5909 1 10 . 1 1 100 100 SER CB C 100 64.139 64.139 64.263 -0.124 25436 5910 1 10 . 1 1 100 100 SER H H 100 8.507 8.507 8.175 0.332 25436 5911 1 10 . 1 1 101 101 ALA N N 101 126.090 126.090 127.111 -1.021 25436 5912 1 10 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.123 0.147 25436 5913 1 10 . 1 1 101 101 ALA C C 101 178.046 178.046 177.826 0.220 25436 5914 1 10 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.661 -1.391 25436 5915 1 10 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.571 0.461 25436 5916 1 10 . 1 1 101 101 ALA H H 101 8.529 8.529 9.240 -0.711 25436 5917 1 10 . 1 1 102 102 ALA N N 102 121.750 121.750 118.658 3.092 25436 5918 1 10 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.434 -0.207 25436 5919 1 10 . 1 1 102 102 ALA C C 102 178.253 178.253 177.616 0.637 25436 5920 1 10 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.827 0.168 25436 5921 1 10 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.977 -0.899 25436 5922 1 10 . 1 1 102 102 ALA H H 102 8.219 8.219 7.873 0.346 25436 5923 1 10 . 1 1 103 103 GLU N N 103 118.819 118.819 117.234 1.585 25436 5924 1 10 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.489 -0.286 25436 5925 1 10 . 1 1 103 103 GLU C C 103 176.515 176.515 177.011 -0.496 25436 5926 1 10 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.870 0.799 25436 5927 1 10 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.151 0.011 25436 5928 1 10 . 1 1 103 103 GLU H H 103 8.100 8.100 8.119 -0.019 25436 5929 1 10 . 1 1 104 104 MET N N 104 120.178 120.178 117.883 2.295 25436 5930 1 10 . 1 1 104 104 MET HA H 104 4.332 4.332 4.050 0.282 25436 5931 1 10 . 1 1 104 104 MET C C 104 175.861 175.861 176.655 -0.794 25436 5932 1 10 . 1 1 104 104 MET CA C 104 55.869 55.869 57.665 -1.796 25436 5933 1 10 . 1 1 104 104 MET CB C 104 32.993 32.993 32.481 0.512 25436 5934 1 10 . 1 1 104 104 MET H H 104 8.086 8.086 7.870 0.216 25436 5935 1 10 . 1 1 105 105 TYR N N 105 120.369 120.369 116.221 4.148 25436 5936 1 10 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.634 0.018 25436 5937 1 10 . 1 1 105 105 TYR C C 105 175.318 175.318 176.800 -1.482 25436 5938 1 10 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.699 -0.114 25436 5939 1 10 . 1 1 105 105 TYR CB C 105 38.891 38.891 39.023 -0.132 25436 5940 1 10 . 1 1 105 105 TYR H H 105 8.137 8.137 7.620 0.517 25436 5941 1 11 . 1 1 3 3 SER HA H 3 4.564 4.564 4.396 0.168 25436 5942 1 11 . 1 1 3 3 SER C C 3 173.407 173.407 174.485 -1.078 25436 5943 1 11 . 1 1 3 3 SER CA C 3 58.309 58.309 58.067 0.242 25436 5944 1 11 . 1 1 3 3 SER CB C 3 63.980 63.980 63.505 0.475 25436 5945 1 11 . 1 1 4 4 ASN N N 4 120.204 120.204 118.032 2.172 25436 5946 1 11 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.017 0.200 25436 5947 1 11 . 1 1 4 4 ASN C C 4 176.242 176.242 174.171 2.071 25436 5948 1 11 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.534 0.501 25436 5949 1 11 . 1 1 4 4 ASN CB C 4 38.715 38.715 39.244 -0.529 25436 5950 1 11 . 1 1 4 4 ASN H H 4 8.783 8.783 8.585 0.198 25436 5951 1 11 . 1 1 5 5 VAL N N 5 122.598 122.598 119.938 2.660 25436 5952 1 11 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.264 -0.494 25436 5953 1 11 . 1 1 5 5 VAL C C 5 177.222 177.222 174.685 2.537 25436 5954 1 11 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.140 4.666 25436 5955 1 11 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.734 -2.879 25436 5956 1 11 . 1 1 5 5 VAL H H 5 8.326 8.326 7.516 0.810 25436 5957 1 11 . 1 1 6 6 THR N N 6 118.450 118.450 117.328 1.122 25436 5958 1 11 . 1 1 6 6 THR HA H 6 4.682 4.682 4.469 0.213 25436 5959 1 11 . 1 1 6 6 THR C C 6 174.349 174.349 173.471 0.878 25436 5960 1 11 . 1 1 6 6 THR CA C 6 60.542 60.542 62.209 -1.667 25436 5961 1 11 . 1 1 6 6 THR CB C 6 69.771 69.771 69.527 0.244 25436 5962 1 11 . 1 1 6 6 THR H H 6 9.391 9.391 8.446 0.945 25436 5963 1 11 . 1 1 7 7 ASN N N 7 120.847 120.847 118.713 2.134 25436 5964 1 11 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.630 -0.075 25436 5965 1 11 . 1 1 7 7 ASN C C 7 176.863 176.863 175.656 1.207 25436 5966 1 11 . 1 1 7 7 ASN CA C 7 51.909 51.909 53.101 -1.192 25436 5967 1 11 . 1 1 7 7 ASN CB C 7 38.059 38.059 38.412 -0.353 25436 5968 1 11 . 1 1 7 7 ASN H H 7 7.970 7.970 8.042 -0.072 25436 5969 1 11 . 1 1 8 8 LYS N N 8 121.736 121.736 120.315 1.421 25436 5970 1 11 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.377 -0.123 25436 5971 1 11 . 1 1 8 8 LYS C C 8 180.141 180.141 176.442 3.699 25436 5972 1 11 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.316 1.905 25436 5973 1 11 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.047 -0.757 25436 5974 1 11 . 1 1 8 8 LYS H H 8 8.577 8.577 8.073 0.504 25436 5975 1 11 . 1 1 9 9 THR N N 9 110.800 110.800 109.844 0.956 25436 5976 1 11 . 1 1 9 9 THR HA H 9 4.467 4.467 4.411 0.056 25436 5977 1 11 . 1 1 9 9 THR C C 9 174.484 174.484 173.703 0.781 25436 5978 1 11 . 1 1 9 9 THR CA C 9 61.242 61.242 60.743 0.499 25436 5979 1 11 . 1 1 9 9 THR CB C 9 69.009 69.009 69.047 -0.038 25436 5980 1 11 . 1 1 9 9 THR H H 9 8.695 8.695 8.288 0.407 25436 5981 1 11 . 1 1 10 10 ASP N N 10 120.937 120.937 123.646 -2.709 25436 5982 1 11 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.697 0.126 25436 5983 1 11 . 1 1 10 10 ASP C C 10 173.945 173.945 176.660 -2.715 25436 5984 1 11 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.037 -0.551 25436 5985 1 11 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.327 -1.777 25436 5986 1 11 . 1 1 10 10 ASP H H 10 7.908 7.908 7.896 0.012 25436 5987 1 11 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.422 -0.272 25436 5988 1 11 . 1 1 11 11 PRO C C 11 178.420 178.420 176.454 1.966 25436 5989 1 11 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.742 1.471 25436 5990 1 11 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.067 0.088 25436 5991 1 11 . 1 1 12 12 ARG N N 12 116.349 116.349 112.822 3.527 25436 5992 1 11 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.757 -0.662 25436 5993 1 11 . 1 1 12 12 ARG C C 12 180.445 180.445 176.762 3.683 25436 5994 1 11 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.552 3.019 25436 5995 1 11 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.212 -0.977 25436 5996 1 11 . 1 1 12 12 ARG H H 12 7.944 7.944 8.024 -0.080 25436 5997 1 11 . 1 1 13 13 SER N N 13 119.401 119.401 116.320 3.081 25436 5998 1 11 . 1 1 13 13 SER HA H 13 4.053 4.053 4.577 -0.524 25436 5999 1 11 . 1 1 13 13 SER C C 13 175.325 175.325 175.450 -0.125 25436 6000 1 11 . 1 1 13 13 SER CA C 13 61.500 61.500 60.735 0.765 25436 6001 1 11 . 1 1 13 13 SER CB C 13 61.798 61.798 63.660 -1.862 25436 6002 1 11 . 1 1 13 13 SER H H 13 8.152 8.152 7.387 0.765 25436 6003 1 11 . 1 1 14 14 MET N N 14 120.254 120.254 116.614 3.640 25436 6004 1 11 . 1 1 14 14 MET HA H 14 4.090 4.090 4.361 -0.271 25436 6005 1 11 . 1 1 14 14 MET C C 14 178.575 178.575 175.323 3.252 25436 6006 1 11 . 1 1 14 14 MET CA C 14 58.317 58.317 57.236 1.081 25436 6007 1 11 . 1 1 14 14 MET CB C 14 31.466 31.466 33.201 -1.735 25436 6008 1 11 . 1 1 14 14 MET H H 14 8.241 8.241 7.837 0.404 25436 6009 1 11 . 1 1 15 15 ASN N N 15 115.299 115.299 110.539 4.760 25436 6010 1 11 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.870 -0.244 25436 6011 1 11 . 1 1 15 15 ASN C C 15 172.554 172.554 175.996 -3.442 25436 6012 1 11 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.062 0.998 25436 6013 1 11 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.696 -0.900 25436 6014 1 11 . 1 1 15 15 ASN H H 15 7.962 7.962 7.460 0.502 25436 6015 1 11 . 1 1 16 16 SER N N 16 106.079 106.079 113.630 -7.551 25436 6016 1 11 . 1 1 16 16 SER HA H 16 4.500 4.500 4.781 -0.281 25436 6017 1 11 . 1 1 16 16 SER C C 16 172.120 172.120 173.841 -1.721 25436 6018 1 11 . 1 1 16 16 SER CA C 16 56.814 56.814 58.087 -1.272 25436 6019 1 11 . 1 1 16 16 SER CB C 16 63.439 63.439 63.887 -0.448 25436 6020 1 11 . 1 1 16 16 SER H H 16 7.249 7.249 7.823 -0.574 25436 6021 1 11 . 1 1 17 17 ARG N N 17 123.335 123.335 121.808 1.527 25436 6022 1 11 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.142 0.443 25436 6023 1 11 . 1 1 17 17 ARG C C 17 174.490 174.490 174.883 -0.393 25436 6024 1 11 . 1 1 17 17 ARG CA C 17 54.364 54.364 55.070 -0.706 25436 6025 1 11 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.846 -0.987 25436 6026 1 11 . 1 1 17 17 ARG H H 17 7.400 7.400 7.669 -0.269 25436 6027 1 11 . 1 1 18 18 VAL N N 18 122.241 122.241 121.941 0.300 25436 6028 1 11 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.691 0.026 25436 6029 1 11 . 1 1 18 18 VAL C C 18 174.862 174.862 174.237 0.625 25436 6030 1 11 . 1 1 18 18 VAL CA C 18 60.723 60.723 60.905 -0.182 25436 6031 1 11 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.922 0.359 25436 6032 1 11 . 1 1 18 18 VAL H H 18 9.264 9.264 9.032 0.232 25436 6033 1 11 . 1 1 19 19 PHE N N 19 125.933 125.933 129.017 -3.084 25436 6034 1 11 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.247 0.219 25436 6035 1 11 . 1 1 19 19 PHE C C 19 171.966 171.966 173.475 -1.509 25436 6036 1 11 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.202 1.921 25436 6037 1 11 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.684 -0.739 25436 6038 1 11 . 1 1 19 19 PHE H H 19 9.162 9.162 9.198 -0.036 25436 6039 1 11 . 1 1 20 20 ILE N N 20 126.425 126.425 126.828 -0.403 25436 6040 1 11 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.131 -0.262 25436 6041 1 11 . 1 1 20 20 ILE C C 20 173.048 173.048 174.238 -1.190 25436 6042 1 11 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.090 -0.760 25436 6043 1 11 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.681 0.354 25436 6044 1 11 . 1 1 20 20 ILE H H 20 7.723 7.723 8.008 -0.285 25436 6045 1 11 . 1 1 21 21 GLY N N 21 113.255 113.255 110.784 2.471 25436 6046 1 11 . 1 1 21 21 GLY C C 21 173.768 173.768 174.311 -0.543 25436 6047 1 11 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.116 0.814 25436 6048 1 11 . 1 1 21 21 GLY H H 21 8.498 8.498 8.258 0.240 25436 6049 1 11 . 1 1 22 22 ASN N N 22 116.172 116.172 115.110 1.062 25436 6050 1 11 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.313 0.116 25436 6051 1 11 . 1 1 22 22 ASN C C 22 174.204 174.204 174.528 -0.324 25436 6052 1 11 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.197 -0.679 25436 6053 1 11 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.293 0.482 25436 6054 1 11 . 1 1 22 22 ASN H H 22 7.227 7.227 8.381 -1.154 25436 6055 1 11 . 1 1 23 23 LEU N N 23 119.429 119.429 118.802 0.627 25436 6056 1 11 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.291 -0.348 25436 6057 1 11 . 1 1 23 23 LEU C C 23 176.550 176.550 175.461 1.089 25436 6058 1 11 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.743 -2.166 25436 6059 1 11 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.385 0.983 25436 6060 1 11 . 1 1 23 23 LEU H H 23 7.110 7.110 7.494 -0.384 25436 6061 1 11 . 1 1 24 24 ASN N N 24 122.292 122.292 119.765 2.527 25436 6062 1 11 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.649 0.423 25436 6063 1 11 . 1 1 24 24 ASN C C 24 175.830 175.830 175.456 0.374 25436 6064 1 11 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.444 -1.943 25436 6065 1 11 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.934 -3.343 25436 6066 1 11 . 1 1 24 24 ASN H H 24 8.975 8.975 8.922 0.053 25436 6067 1 11 . 1 1 25 25 THR N N 25 118.371 118.371 117.414 0.957 25436 6068 1 11 . 1 1 25 25 THR HA H 25 4.411 4.411 4.404 0.007 25436 6069 1 11 . 1 1 25 25 THR C C 25 175.285 175.285 175.555 -0.270 25436 6070 1 11 . 1 1 25 25 THR CA C 25 63.453 63.453 62.353 1.100 25436 6071 1 11 . 1 1 25 25 THR CB C 25 67.150 67.150 69.027 -1.877 25436 6072 1 11 . 1 1 25 25 THR H H 25 8.466 8.466 8.401 0.065 25436 6073 1 11 . 1 1 26 26 LEU N N 26 121.017 121.017 119.632 1.385 25436 6074 1 11 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.465 -0.258 25436 6075 1 11 . 1 1 26 26 LEU C C 26 178.243 178.243 176.738 1.505 25436 6076 1 11 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.618 0.121 25436 6077 1 11 . 1 1 26 26 LEU CB C 26 41.132 41.132 41.906 -0.774 25436 6078 1 11 . 1 1 26 26 LEU H H 26 7.583 7.583 8.123 -0.540 25436 6079 1 11 . 1 1 27 27 VAL N N 27 115.968 115.968 115.114 0.854 25436 6080 1 11 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.184 -0.159 25436 6081 1 11 . 1 1 27 27 VAL C C 27 175.199 175.199 175.898 -0.699 25436 6082 1 11 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.455 0.754 25436 6083 1 11 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.127 1.055 25436 6084 1 11 . 1 1 27 27 VAL H H 27 6.846 6.846 7.458 -0.613 25436 6085 1 11 . 1 1 28 28 VAL N N 28 121.753 121.753 121.429 0.324 25436 6086 1 11 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.018 -0.151 25436 6087 1 11 . 1 1 28 28 VAL C C 28 174.351 174.351 174.503 -0.152 25436 6088 1 11 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.134 1.046 25436 6089 1 11 . 1 1 28 28 VAL CB C 28 32.045 32.045 32.556 -0.511 25436 6090 1 11 . 1 1 28 28 VAL H H 28 8.389 8.389 7.455 0.934 25436 6091 1 11 . 1 1 29 29 LYS N N 29 124.108 124.108 120.991 3.117 25436 6092 1 11 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.591 0.037 25436 6093 1 11 . 1 1 29 29 LYS C C 29 177.958 177.958 175.861 2.097 25436 6094 1 11 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.503 -0.843 25436 6095 1 11 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.078 0.378 25436 6096 1 11 . 1 1 29 29 LYS H H 29 8.929 8.929 7.856 1.073 25436 6097 1 11 . 1 1 30 30 LYS N N 30 123.352 123.352 121.391 1.961 25436 6098 1 11 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.919 -0.256 25436 6099 1 11 . 1 1 30 30 LYS C C 30 177.638 177.638 178.186 -0.548 25436 6100 1 11 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.999 1.401 25436 6101 1 11 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.065 0.591 25436 6102 1 11 . 1 1 30 30 LYS H H 30 8.994 8.994 8.742 0.252 25436 6103 1 11 . 1 1 31 31 SER N N 31 111.491 111.491 109.712 1.779 25436 6104 1 11 . 1 1 31 31 SER HA H 31 4.175 4.175 4.668 -0.493 25436 6105 1 11 . 1 1 31 31 SER C C 31 177.616 177.616 175.037 2.579 25436 6106 1 11 . 1 1 31 31 SER CA C 31 61.402 61.402 59.306 2.096 25436 6107 1 11 . 1 1 31 31 SER CB C 31 61.541 61.541 62.771 -1.230 25436 6108 1 11 . 1 1 31 31 SER H H 31 8.686 8.686 8.271 0.415 25436 6109 1 11 . 1 1 32 32 ASP N N 32 122.114 122.114 122.628 -0.514 25436 6110 1 11 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.768 -0.244 25436 6111 1 11 . 1 1 32 32 ASP C C 32 178.193 178.193 178.350 -0.157 25436 6112 1 11 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.410 0.785 25436 6113 1 11 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.865 -0.052 25436 6114 1 11 . 1 1 32 32 ASP H H 32 7.147 7.147 7.887 -0.740 25436 6115 1 11 . 1 1 33 33 VAL N N 33 120.064 120.064 121.174 -1.110 25436 6116 1 11 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.808 -0.340 25436 6117 1 11 . 1 1 33 33 VAL C C 33 178.623 178.623 176.912 1.711 25436 6118 1 11 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.344 0.993 25436 6119 1 11 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.997 -0.701 25436 6120 1 11 . 1 1 33 33 VAL H H 33 7.939 7.939 8.085 -0.146 25436 6121 1 11 . 1 1 34 34 GLU N N 34 118.713 118.713 116.327 2.386 25436 6122 1 11 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.189 -0.430 25436 6123 1 11 . 1 1 34 34 GLU C C 34 178.700 178.700 176.126 2.574 25436 6124 1 11 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.264 3.239 25436 6125 1 11 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.115 0.215 25436 6126 1 11 . 1 1 34 34 GLU H H 34 8.641 8.641 8.011 0.630 25436 6127 1 11 . 1 1 35 35 ALA N N 35 121.519 121.519 119.983 1.536 25436 6128 1 11 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.558 -0.408 25436 6129 1 11 . 1 1 35 35 ALA C C 35 180.482 180.482 178.003 2.479 25436 6130 1 11 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.825 2.717 25436 6131 1 11 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.221 -2.164 25436 6132 1 11 . 1 1 35 35 ALA H H 35 7.818 7.818 7.673 0.145 25436 6133 1 11 . 1 1 36 36 ILE N N 36 117.410 117.410 117.357 0.053 25436 6134 1 11 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.151 -0.483 25436 6135 1 11 . 1 1 36 36 ILE C C 36 178.664 178.664 176.813 1.851 25436 6136 1 11 . 1 1 36 36 ILE CA C 36 64.790 64.790 63.338 1.452 25436 6137 1 11 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.708 0.077 25436 6138 1 11 . 1 1 36 36 ILE H H 36 7.778 7.778 7.696 0.082 25436 6139 1 11 . 1 1 37 37 PHE N N 37 113.502 113.502 118.754 -5.252 25436 6140 1 11 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.872 -0.509 25436 6141 1 11 . 1 1 37 37 PHE C C 37 179.622 179.622 177.373 2.249 25436 6142 1 11 . 1 1 37 37 PHE CA C 37 62.703 62.703 59.310 3.393 25436 6143 1 11 . 1 1 37 37 PHE CB C 37 37.184 37.184 39.856 -2.672 25436 6144 1 11 . 1 1 37 37 PHE H H 37 8.587 8.587 8.093 0.494 25436 6145 1 11 . 1 1 38 38 SER N N 38 122.010 122.010 115.526 6.484 25436 6146 1 11 . 1 1 38 38 SER HA H 38 4.819 4.819 4.725 0.094 25436 6147 1 11 . 1 1 38 38 SER C C 38 175.438 175.438 175.477 -0.039 25436 6148 1 11 . 1 1 38 38 SER CA C 38 61.462 61.462 59.700 1.762 25436 6149 1 11 . 1 1 38 38 SER CB C 38 62.737 62.737 62.895 -0.158 25436 6150 1 11 . 1 1 38 38 SER H H 38 8.827 8.827 8.665 0.162 25436 6151 1 11 . 1 1 39 39 LYS N N 39 119.345 119.345 117.643 1.702 25436 6152 1 11 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.195 -0.228 25436 6153 1 11 . 1 1 39 39 LYS C C 39 177.063 177.063 176.372 0.691 25436 6154 1 11 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.535 0.724 25436 6155 1 11 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.791 -0.229 25436 6156 1 11 . 1 1 39 39 LYS H H 39 7.057 7.057 8.090 -1.033 25436 6157 1 11 . 1 1 40 40 TYR N N 40 114.420 114.420 118.779 -4.359 25436 6158 1 11 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.520 -0.239 25436 6159 1 11 . 1 1 40 40 TYR C C 40 174.841 174.841 174.199 0.642 25436 6160 1 11 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.616 1.240 25436 6161 1 11 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.164 -1.803 25436 6162 1 11 . 1 1 40 40 TYR H H 40 6.956 6.956 7.627 -0.671 25436 6163 1 11 . 1 1 41 41 GLY N N 41 106.506 106.506 104.153 2.353 25436 6164 1 11 . 1 1 41 41 GLY C C 41 170.572 170.572 172.394 -1.822 25436 6165 1 11 . 1 1 41 41 GLY CA C 41 44.571 44.571 44.892 -0.321 25436 6166 1 11 . 1 1 41 41 GLY H H 41 7.430 7.430 7.330 0.100 25436 6167 1 11 . 1 1 42 42 LYS N N 42 117.771 117.771 121.207 -3.436 25436 6168 1 11 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.617 -0.416 25436 6169 1 11 . 1 1 42 42 LYS C C 42 176.535 176.535 176.273 0.262 25436 6170 1 11 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.548 2.584 25436 6171 1 11 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.738 0.218 25436 6172 1 11 . 1 1 42 42 LYS H H 42 8.037 8.037 8.303 -0.266 25436 6173 1 11 . 1 1 43 43 ILE N N 43 127.134 127.134 127.024 0.110 25436 6174 1 11 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.348 -0.322 25436 6175 1 11 . 1 1 43 43 ILE C C 43 176.992 176.992 176.012 0.980 25436 6176 1 11 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.874 -0.478 25436 6177 1 11 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.635 0.232 25436 6178 1 11 . 1 1 43 43 ILE H H 43 8.720 8.720 8.558 0.162 25436 6179 1 11 . 1 1 44 44 VAL N N 44 121.988 121.988 119.939 2.049 25436 6180 1 11 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.522 -0.154 25436 6181 1 11 . 1 1 44 44 VAL C C 44 176.854 176.854 175.014 1.840 25436 6182 1 11 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.836 1.049 25436 6183 1 11 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.882 -0.410 25436 6184 1 11 . 1 1 44 44 VAL H H 44 8.707 8.707 8.890 -0.183 25436 6185 1 11 . 1 1 45 45 GLY N N 45 109.497 109.497 108.167 1.330 25436 6186 1 11 . 1 1 45 45 GLY C C 45 171.265 171.265 172.131 -0.866 25436 6187 1 11 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.813 -0.796 25436 6188 1 11 . 1 1 45 45 GLY H H 45 7.541 7.541 7.619 -0.078 25436 6189 1 11 . 1 1 46 46 CYS N N 46 124.565 124.565 117.669 6.896 25436 6190 1 11 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.271 -0.260 25436 6191 1 11 . 1 1 46 46 CYS C C 46 172.072 172.072 172.221 -0.149 25436 6192 1 11 . 1 1 46 46 CYS CA C 46 57.984 57.984 56.728 1.256 25436 6193 1 11 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.258 -2.929 25436 6194 1 11 . 1 1 46 46 CYS H H 46 8.983 8.983 9.107 -0.124 25436 6195 1 11 . 1 1 47 47 SER N N 47 122.911 122.911 115.307 7.604 25436 6196 1 11 . 1 1 47 47 SER HA H 47 4.906 4.906 4.881 0.025 25436 6197 1 11 . 1 1 47 47 SER C C 47 171.848 171.848 172.414 -0.566 25436 6198 1 11 . 1 1 47 47 SER CA C 47 56.487 56.487 57.718 -1.231 25436 6199 1 11 . 1 1 47 47 SER CB C 47 65.679 65.679 66.472 -0.794 25436 6200 1 11 . 1 1 47 47 SER H H 47 8.568 8.568 8.960 -0.392 25436 6201 1 11 . 1 1 48 48 VAL N N 48 121.488 121.488 120.562 0.926 25436 6202 1 11 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.110 0.032 25436 6203 1 11 . 1 1 48 48 VAL C C 48 173.990 173.990 174.432 -0.442 25436 6204 1 11 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.106 1.141 25436 6205 1 11 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.801 -0.934 25436 6206 1 11 . 1 1 48 48 VAL H H 48 8.588 8.588 8.220 0.368 25436 6207 1 11 . 1 1 49 49 HIS N N 49 130.227 130.227 123.384 6.843 25436 6208 1 11 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.626 -0.217 25436 6209 1 11 . 1 1 49 49 HIS C C 49 173.949 173.949 173.793 0.156 25436 6210 1 11 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.093 0.573 25436 6211 1 11 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.321 -1.202 25436 6212 1 11 . 1 1 49 49 HIS H H 49 8.380 8.380 8.466 -0.086 25436 6213 1 11 . 1 1 50 50 LYS N N 50 121.171 121.171 120.431 0.740 25436 6214 1 11 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.152 0.282 25436 6215 1 11 . 1 1 50 50 LYS C C 50 175.527 175.527 177.648 -2.121 25436 6216 1 11 . 1 1 50 50 LYS CA C 50 55.918 55.918 55.960 -0.042 25436 6217 1 11 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.245 -1.824 25436 6218 1 11 . 1 1 50 50 LYS H H 50 7.717 7.717 8.099 -0.382 25436 6219 1 11 . 1 1 51 51 GLY N N 51 113.993 113.993 112.600 1.393 25436 6220 1 11 . 1 1 51 51 GLY C C 51 174.252 174.252 172.770 1.482 25436 6221 1 11 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.365 -0.958 25436 6222 1 11 . 1 1 51 51 GLY H H 51 9.404 9.404 8.882 0.522 25436 6223 1 11 . 1 1 52 52 PHE N N 52 112.326 112.326 114.726 -2.400 25436 6224 1 11 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.597 -0.305 25436 6225 1 11 . 1 1 52 52 PHE C C 52 171.605 171.605 172.964 -1.359 25436 6226 1 11 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.354 0.900 25436 6227 1 11 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.380 -0.339 25436 6228 1 11 . 1 1 52 52 PHE H H 52 7.006 7.006 7.176 -0.170 25436 6229 1 11 . 1 1 53 53 ALA N N 53 119.722 119.722 119.146 0.576 25436 6230 1 11 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.805 0.003 25436 6231 1 11 . 1 1 53 53 ALA C C 53 173.029 173.029 174.536 -1.507 25436 6232 1 11 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.065 -0.769 25436 6233 1 11 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.453 2.346 25436 6234 1 11 . 1 1 53 53 ALA H H 53 8.677 8.677 8.605 0.072 25436 6235 1 11 . 1 1 54 54 PHE N N 54 112.104 112.104 116.765 -4.661 25436 6236 1 11 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.612 -0.032 25436 6237 1 11 . 1 1 54 54 PHE C C 54 175.794 175.794 174.380 1.414 25436 6238 1 11 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.997 -0.283 25436 6239 1 11 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.596 -0.310 25436 6240 1 11 . 1 1 54 54 PHE H H 54 8.797 8.797 8.935 -0.138 25436 6241 1 11 . 1 1 55 55 VAL N N 55 118.542 118.542 120.568 -2.026 25436 6242 1 11 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.423 -0.210 25436 6243 1 11 . 1 1 55 55 VAL C C 55 172.806 172.806 173.534 -0.728 25436 6244 1 11 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.007 0.921 25436 6245 1 11 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.991 -1.071 25436 6246 1 11 . 1 1 55 55 VAL H H 55 8.295 8.295 8.746 -0.451 25436 6247 1 11 . 1 1 56 56 GLN N N 56 128.473 128.473 124.559 3.914 25436 6248 1 11 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.793 -0.223 25436 6249 1 11 . 1 1 56 56 GLN C C 56 173.893 173.893 174.182 -0.289 25436 6250 1 11 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.895 0.369 25436 6251 1 11 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.858 1.212 25436 6252 1 11 . 1 1 56 56 GLN H H 56 9.263 9.263 8.893 0.370 25436 6253 1 11 . 1 1 57 57 TYR N N 57 127.679 127.679 125.372 2.307 25436 6254 1 11 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.216 0.071 25436 6255 1 11 . 1 1 57 57 TYR C C 57 175.609 175.609 176.973 -1.364 25436 6256 1 11 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.523 1.145 25436 6257 1 11 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.071 -0.037 25436 6258 1 11 . 1 1 57 57 TYR H H 57 8.928 8.928 8.913 0.015 25436 6259 1 11 . 1 1 58 58 VAL N N 58 116.710 116.710 117.889 -1.179 25436 6260 1 11 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.921 0.194 25436 6261 1 11 . 1 1 58 58 VAL C C 58 175.859 175.859 175.482 0.377 25436 6262 1 11 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.017 0.041 25436 6263 1 11 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.169 0.844 25436 6264 1 11 . 1 1 58 58 VAL H H 58 9.479 9.479 8.668 0.811 25436 6265 1 11 . 1 1 59 59 ASN N N 59 112.455 112.455 113.679 -1.224 25436 6266 1 11 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.780 0.379 25436 6267 1 11 . 1 1 59 59 ASN C C 59 174.482 174.482 175.119 -0.637 25436 6268 1 11 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.817 0.125 25436 6269 1 11 . 1 1 59 59 ASN CB C 59 42.192 42.192 39.738 2.454 25436 6270 1 11 . 1 1 59 59 ASN H H 59 7.218 7.218 7.575 -0.357 25436 6271 1 11 . 1 1 60 60 GLU N N 60 124.337 124.337 121.169 3.168 25436 6272 1 11 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.313 0.006 25436 6273 1 11 . 1 1 60 60 GLU C C 60 178.201 178.201 178.116 0.085 25436 6274 1 11 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.413 -0.673 25436 6275 1 11 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.949 0.408 25436 6276 1 11 . 1 1 60 60 GLU H H 60 8.808 8.808 8.970 -0.162 25436 6277 1 11 . 1 1 61 61 ARG N N 61 118.265 118.265 119.854 -1.589 25436 6278 1 11 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.044 -0.047 25436 6279 1 11 . 1 1 61 61 ARG C C 61 179.340 179.340 178.613 0.727 25436 6280 1 11 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.574 0.905 25436 6281 1 11 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.350 0.004 25436 6282 1 11 . 1 1 61 61 ARG H H 61 8.630 8.630 7.798 0.832 25436 6283 1 11 . 1 1 62 62 ASN N N 62 118.081 118.081 118.060 0.021 25436 6284 1 11 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.280 0.000 25436 6285 1 11 . 1 1 62 62 ASN C C 62 174.851 174.851 176.793 -1.942 25436 6286 1 11 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.200 0.252 25436 6287 1 11 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.301 0.717 25436 6288 1 11 . 1 1 62 62 ASN H H 62 7.785 7.785 8.930 -1.145 25436 6289 1 11 . 1 1 63 63 ALA N N 63 119.543 119.543 123.203 -3.660 25436 6290 1 11 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.435 -0.679 25436 6291 1 11 . 1 1 63 63 ALA C C 63 178.861 178.861 179.426 -0.565 25436 6292 1 11 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.183 -0.222 25436 6293 1 11 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.776 -0.235 25436 6294 1 11 . 1 1 63 63 ALA H H 63 6.779 6.779 7.443 -0.664 25436 6295 1 11 . 1 1 64 64 ARG N N 64 114.965 114.965 117.290 -2.325 25436 6296 1 11 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.039 -0.197 25436 6297 1 11 . 1 1 64 64 ARG C C 64 179.775 179.775 178.516 1.259 25436 6298 1 11 . 1 1 64 64 ARG CA C 64 60.190 60.190 58.870 1.320 25436 6299 1 11 . 1 1 64 64 ARG CB C 64 29.313 29.313 30.174 -0.861 25436 6300 1 11 . 1 1 64 64 ARG H H 64 8.755 8.755 8.007 0.748 25436 6301 1 11 . 1 1 65 65 ALA N N 65 123.704 123.704 122.258 1.446 25436 6302 1 11 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.086 0.044 25436 6303 1 11 . 1 1 65 65 ALA C C 65 179.560 179.560 178.329 1.231 25436 6304 1 11 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.807 0.172 25436 6305 1 11 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.303 -0.411 25436 6306 1 11 . 1 1 65 65 ALA H H 65 7.823 7.823 7.505 0.318 25436 6307 1 11 . 1 1 66 66 ALA N N 66 123.797 123.797 118.934 4.863 25436 6308 1 11 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.552 -1.476 25436 6309 1 11 . 1 1 66 66 ALA C C 66 179.259 179.259 179.269 -0.010 25436 6310 1 11 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.001 0.287 25436 6311 1 11 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.226 0.049 25436 6312 1 11 . 1 1 66 66 ALA H H 66 7.545 7.545 7.474 0.071 25436 6313 1 11 . 1 1 67 67 VAL N N 67 116.549 116.549 117.897 -1.348 25436 6314 1 11 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.806 -0.452 25436 6315 1 11 . 1 1 67 67 VAL C C 67 177.744 177.744 176.399 1.345 25436 6316 1 11 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.054 0.479 25436 6317 1 11 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.662 0.307 25436 6318 1 11 . 1 1 67 67 VAL H H 67 7.619 7.619 8.407 -0.788 25436 6319 1 11 . 1 1 68 68 ALA N N 68 118.193 118.193 119.647 -1.454 25436 6320 1 11 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.417 -0.290 25436 6321 1 11 . 1 1 68 68 ALA C C 68 180.748 180.748 177.913 2.835 25436 6322 1 11 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.761 1.600 25436 6323 1 11 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.295 -1.167 25436 6324 1 11 . 1 1 68 68 ALA H H 68 7.550 7.550 7.396 0.154 25436 6325 1 11 . 1 1 69 69 GLY N N 69 103.773 103.773 106.506 -2.733 25436 6326 1 11 . 1 1 69 69 GLY C C 69 175.626 175.626 175.410 0.216 25436 6327 1 11 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.520 0.606 25436 6328 1 11 . 1 1 69 69 GLY H H 69 8.140 8.140 7.453 0.687 25436 6329 1 11 . 1 1 70 70 GLU N N 70 114.547 114.547 117.981 -3.434 25436 6330 1 11 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.424 0.212 25436 6331 1 11 . 1 1 70 70 GLU C C 70 176.391 176.391 175.145 1.246 25436 6332 1 11 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.514 -0.355 25436 6333 1 11 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.244 0.021 25436 6334 1 11 . 1 1 70 70 GLU H H 70 7.654 7.654 7.901 -0.247 25436 6335 1 11 . 1 1 71 71 ASP N N 71 118.202 118.202 120.452 -2.250 25436 6336 1 11 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.311 -0.024 25436 6337 1 11 . 1 1 71 71 ASP C C 71 178.698 178.698 177.773 0.925 25436 6338 1 11 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.111 1.420 25436 6339 1 11 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.973 0.398 25436 6340 1 11 . 1 1 71 71 ASP H H 71 8.020 8.020 7.518 0.502 25436 6341 1 11 . 1 1 72 72 GLY N N 72 114.301 114.301 114.556 -0.255 25436 6342 1 11 . 1 1 72 72 GLY C C 72 173.791 173.791 173.626 0.165 25436 6343 1 11 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.188 0.571 25436 6344 1 11 . 1 1 72 72 GLY H H 72 8.305 8.305 8.432 -0.127 25436 6345 1 11 . 1 1 73 73 ARG N N 73 121.994 121.994 118.410 3.584 25436 6346 1 11 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.550 -0.355 25436 6347 1 11 . 1 1 73 73 ARG C C 73 175.187 175.187 174.873 0.314 25436 6348 1 11 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.743 1.759 25436 6349 1 11 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.856 -0.604 25436 6350 1 11 . 1 1 73 73 ARG H H 73 7.980 7.980 7.756 0.224 25436 6351 1 11 . 1 1 74 74 MET N N 74 125.081 125.081 121.905 3.176 25436 6352 1 11 . 1 1 74 74 MET HA H 74 4.823 4.823 5.117 -0.294 25436 6353 1 11 . 1 1 74 74 MET C C 74 175.726 175.726 175.121 0.605 25436 6354 1 11 . 1 1 74 74 MET CA C 74 55.029 55.029 55.161 -0.132 25436 6355 1 11 . 1 1 74 74 MET CB C 74 33.092 33.092 34.613 -1.521 25436 6356 1 11 . 1 1 74 74 MET H H 74 8.712 8.712 8.413 0.299 25436 6357 1 11 . 1 1 75 75 ILE N N 75 127.490 127.490 125.558 1.932 25436 6358 1 11 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.482 -0.100 25436 6359 1 11 . 1 1 75 75 ILE C C 75 175.276 175.276 175.530 -0.254 25436 6360 1 11 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.876 -1.072 25436 6361 1 11 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.110 -0.714 25436 6362 1 11 . 1 1 75 75 ILE H H 75 8.589 8.589 8.940 -0.351 25436 6363 1 11 . 1 1 76 76 ALA N N 76 132.147 132.147 127.714 4.433 25436 6364 1 11 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.042 -0.004 25436 6365 1 11 . 1 1 76 76 ALA C C 76 177.205 177.205 177.719 -0.514 25436 6366 1 11 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.068 -1.134 25436 6367 1 11 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.021 0.127 25436 6368 1 11 . 1 1 76 76 ALA H H 76 9.547 9.547 8.969 0.578 25436 6369 1 11 . 1 1 77 77 GLY N N 77 101.695 101.695 101.819 -0.124 25436 6370 1 11 . 1 1 77 77 GLY C C 77 174.205 174.205 174.130 0.075 25436 6371 1 11 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.934 0.829 25436 6372 1 11 . 1 1 77 77 GLY H H 77 8.445 8.445 8.334 0.111 25436 6373 1 11 . 1 1 78 78 GLN N N 78 119.020 119.020 118.903 0.117 25436 6374 1 11 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.704 0.025 25436 6375 1 11 . 1 1 78 78 GLN C C 78 174.046 174.046 174.463 -0.417 25436 6376 1 11 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.133 0.062 25436 6377 1 11 . 1 1 78 78 GLN CB C 78 31.889 31.889 33.199 -1.310 25436 6378 1 11 . 1 1 78 78 GLN H H 78 7.720 7.720 7.922 -0.202 25436 6379 1 11 . 1 1 79 79 VAL N N 79 123.374 123.374 121.544 1.830 25436 6380 1 11 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.936 -0.924 25436 6381 1 11 . 1 1 79 79 VAL C C 79 176.347 176.347 175.650 0.697 25436 6382 1 11 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.177 1.478 25436 6383 1 11 . 1 1 79 79 VAL CB C 79 32.084 32.084 32.848 -0.764 25436 6384 1 11 . 1 1 79 79 VAL H H 79 8.532 8.532 8.345 0.187 25436 6385 1 11 . 1 1 80 80 LEU N N 80 128.569 128.569 122.034 6.535 25436 6386 1 11 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.955 -0.668 25436 6387 1 11 . 1 1 80 80 LEU C C 80 176.521 176.521 175.075 1.446 25436 6388 1 11 . 1 1 80 80 LEU CA C 80 56.063 56.063 51.862 4.201 25436 6389 1 11 . 1 1 80 80 LEU CB C 80 42.821 42.821 42.752 0.070 25436 6390 1 11 . 1 1 80 80 LEU H H 80 9.014 9.014 8.164 0.850 25436 6391 1 11 . 1 1 81 81 ASP N N 81 124.359 124.359 122.624 1.735 25436 6392 1 11 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.111 0.114 25436 6393 1 11 . 1 1 81 81 ASP C C 81 174.659 174.659 175.305 -0.646 25436 6394 1 11 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.944 0.011 25436 6395 1 11 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.518 1.154 25436 6396 1 11 . 1 1 81 81 ASP H H 81 7.850 7.850 8.429 -0.579 25436 6397 1 11 . 1 1 82 82 ILE N N 82 123.155 123.155 126.447 -3.292 25436 6398 1 11 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.908 0.494 25436 6399 1 11 . 1 1 82 82 ILE C C 82 174.520 174.520 175.265 -0.745 25436 6400 1 11 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.182 -0.950 25436 6401 1 11 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.601 1.362 25436 6402 1 11 . 1 1 82 82 ILE H H 82 9.086 9.086 8.516 0.570 25436 6403 1 11 . 1 1 83 83 ASN N N 83 116.417 116.417 122.494 -6.077 25436 6404 1 11 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.949 -0.102 25436 6405 1 11 . 1 1 83 83 ASN C C 83 174.565 174.565 173.682 0.883 25436 6406 1 11 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.099 0.949 25436 6407 1 11 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.314 0.796 25436 6408 1 11 . 1 1 83 83 ASN H H 83 8.495 8.495 8.468 0.027 25436 6409 1 11 . 1 1 84 84 LEU N N 84 123.786 123.786 122.788 0.998 25436 6410 1 11 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.385 0.337 25436 6411 1 11 . 1 1 84 84 LEU C C 84 180.968 180.968 178.526 2.442 25436 6412 1 11 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.035 0.265 25436 6413 1 11 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.590 -1.274 25436 6414 1 11 . 1 1 84 84 LEU H H 84 9.427 9.427 8.863 0.564 25436 6415 1 11 . 1 1 85 85 ALA N N 85 127.571 127.571 127.566 0.005 25436 6416 1 11 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.360 -0.312 25436 6417 1 11 . 1 1 85 85 ALA C C 85 177.931 177.931 176.631 1.300 25436 6418 1 11 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.147 2.150 25436 6419 1 11 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.122 -1.169 25436 6420 1 11 . 1 1 85 85 ALA H H 85 9.295 9.295 8.351 0.944 25436 6421 1 11 . 1 1 86 86 ALA N N 86 115.985 115.985 118.255 -2.270 25436 6422 1 11 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.428 -0.017 25436 6423 1 11 . 1 1 86 86 ALA C C 86 176.152 176.152 176.691 -0.539 25436 6424 1 11 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.996 -0.224 25436 6425 1 11 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.323 0.002 25436 6426 1 11 . 1 1 86 86 ALA H H 86 8.657 8.657 8.142 0.515 25436 6427 1 11 . 1 1 87 87 GLU N N 87 118.975 118.975 119.627 -0.652 25436 6428 1 11 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.641 0.094 25436 6429 1 11 . 1 1 87 87 GLU C C 87 171.676 171.676 174.064 -2.388 25436 6430 1 11 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.425 -0.277 25436 6431 1 11 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.959 -0.043 25436 6432 1 11 . 1 1 87 87 GLU H H 87 7.913 7.913 7.719 0.194 25436 6433 1 11 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.493 -0.146 25436 6434 1 11 . 1 1 88 88 PRO C C 88 177.303 177.303 176.662 0.641 25436 6435 1 11 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.371 -0.493 25436 6436 1 11 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.371 -0.469 25436 6437 1 11 . 1 1 89 89 LYS N N 89 121.335 121.335 119.408 1.927 25436 6438 1 11 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.399 -0.159 25436 6439 1 11 . 1 1 89 89 LYS C C 89 177.689 177.689 175.431 2.258 25436 6440 1 11 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.519 0.232 25436 6441 1 11 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.406 0.030 25436 6442 1 11 . 1 1 89 89 LYS H H 89 8.020 8.020 8.510 -0.490 25436 6443 1 11 . 1 1 90 90 VAL N N 90 120.786 120.786 119.959 0.827 25436 6444 1 11 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.432 -0.510 25436 6445 1 11 . 1 1 90 90 VAL C C 90 176.169 176.169 175.701 0.468 25436 6446 1 11 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.501 2.797 25436 6447 1 11 . 1 1 90 90 VAL CB C 90 32.267 32.267 34.095 -1.828 25436 6448 1 11 . 1 1 90 90 VAL H H 90 8.232 8.232 7.619 0.613 25436 6449 1 11 . 1 1 91 91 ASN N N 91 119.214 119.214 122.556 -3.342 25436 6450 1 11 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.691 -0.032 25436 6451 1 11 . 1 1 91 91 ASN C C 91 175.172 175.172 174.713 0.459 25436 6452 1 11 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.681 -0.653 25436 6453 1 11 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.496 -0.327 25436 6454 1 11 . 1 1 91 91 ASN H H 91 8.453 8.453 8.713 -0.260 25436 6455 1 11 . 1 1 92 92 ARG N N 92 120.709 120.709 115.898 4.811 25436 6456 1 11 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.078 0.176 25436 6457 1 11 . 1 1 92 92 ARG C C 92 176.991 176.991 176.579 0.412 25436 6458 1 11 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.873 -0.373 25436 6459 1 11 . 1 1 92 92 ARG CB C 92 30.607 30.607 27.856 2.751 25436 6460 1 11 . 1 1 92 92 ARG H H 92 7.925 7.925 8.130 -0.205 25436 6461 1 11 . 1 1 93 93 GLY N N 93 110.299 110.299 107.193 3.106 25436 6462 1 11 . 1 1 93 93 GLY C C 93 174.245 174.245 173.627 0.618 25436 6463 1 11 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.481 0.935 25436 6464 1 11 . 1 1 93 93 GLY H H 93 8.593 8.593 8.592 0.001 25436 6465 1 11 . 1 1 94 94 LYS N N 94 120.781 120.781 118.789 1.992 25436 6466 1 11 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.950 0.344 25436 6467 1 11 . 1 1 94 94 LYS C C 94 176.524 176.524 176.705 -0.181 25436 6468 1 11 . 1 1 94 94 LYS CA C 94 56.107 56.107 56.596 -0.489 25436 6469 1 11 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.797 1.343 25436 6470 1 11 . 1 1 94 94 LYS H H 94 8.126 8.126 7.743 0.383 25436 6471 1 11 . 1 1 95 95 ALA N N 95 125.012 125.012 123.476 1.536 25436 6472 1 11 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.260 0.039 25436 6473 1 11 . 1 1 95 95 ALA C C 95 178.324 178.324 178.758 -0.434 25436 6474 1 11 . 1 1 95 95 ALA CA C 95 52.801 52.801 53.343 -0.542 25436 6475 1 11 . 1 1 95 95 ALA CB C 95 19.178 19.178 19.086 0.092 25436 6476 1 11 . 1 1 95 95 ALA H H 95 8.435 8.435 8.474 -0.039 25436 6477 1 11 . 1 1 96 96 GLY N N 96 108.312 108.312 103.779 4.533 25436 6478 1 11 . 1 1 96 96 GLY C C 96 174.095 174.095 174.777 -0.682 25436 6479 1 11 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.004 -0.722 25436 6480 1 11 . 1 1 96 96 GLY H H 96 8.414 8.414 8.422 -0.008 25436 6481 1 11 . 1 1 97 97 VAL N N 97 119.818 119.818 116.788 3.030 25436 6482 1 11 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.937 0.135 25436 6483 1 11 . 1 1 97 97 VAL C C 97 176.155 176.155 176.647 -0.492 25436 6484 1 11 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.552 -1.208 25436 6485 1 11 . 1 1 97 97 VAL CB C 97 32.757 32.757 32.027 0.730 25436 6486 1 11 . 1 1 97 97 VAL H H 97 7.919 7.919 8.096 -0.177 25436 6487 1 11 . 1 1 98 98 LYS N N 98 125.912 125.912 120.742 5.170 25436 6488 1 11 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.504 -0.171 25436 6489 1 11 . 1 1 98 98 LYS C C 98 176.426 176.426 176.079 0.347 25436 6490 1 11 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.401 0.768 25436 6491 1 11 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.876 0.172 25436 6492 1 11 . 1 1 98 98 LYS H H 98 8.466 8.466 7.835 0.631 25436 6493 1 11 . 1 1 99 99 ARG N N 99 123.544 123.544 119.928 3.616 25436 6494 1 11 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.599 -0.230 25436 6495 1 11 . 1 1 99 99 ARG C C 99 176.230 176.230 176.029 0.201 25436 6496 1 11 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.307 0.687 25436 6497 1 11 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.585 -0.421 25436 6498 1 11 . 1 1 99 99 ARG H H 99 8.468 8.468 8.470 -0.002 25436 6499 1 11 . 1 1 100 100 SER N N 100 117.781 117.781 118.040 -0.259 25436 6500 1 11 . 1 1 100 100 SER HA H 100 4.452 4.452 4.574 -0.122 25436 6501 1 11 . 1 1 100 100 SER C C 100 174.555 174.555 175.968 -1.413 25436 6502 1 11 . 1 1 100 100 SER CA C 100 58.036 58.036 57.575 0.461 25436 6503 1 11 . 1 1 100 100 SER CB C 100 64.139 64.139 64.124 0.015 25436 6504 1 11 . 1 1 100 100 SER H H 100 8.507 8.507 8.640 -0.133 25436 6505 1 11 . 1 1 101 101 ALA N N 101 126.090 126.090 127.820 -1.730 25436 6506 1 11 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.195 0.075 25436 6507 1 11 . 1 1 101 101 ALA C C 101 178.046 178.046 177.400 0.646 25436 6508 1 11 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.892 -0.622 25436 6509 1 11 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.594 0.438 25436 6510 1 11 . 1 1 101 101 ALA H H 101 8.529 8.529 8.857 -0.328 25436 6511 1 11 . 1 1 102 102 ALA N N 102 121.750 121.750 119.759 1.991 25436 6512 1 11 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.384 -0.157 25436 6513 1 11 . 1 1 102 102 ALA C C 102 178.253 178.253 177.734 0.519 25436 6514 1 11 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.588 0.407 25436 6515 1 11 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.060 -0.982 25436 6516 1 11 . 1 1 102 102 ALA H H 102 8.219 8.219 7.720 0.499 25436 6517 1 11 . 1 1 103 103 GLU N N 103 118.819 118.819 118.195 0.624 25436 6518 1 11 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.410 -0.208 25436 6519 1 11 . 1 1 103 103 GLU C C 103 176.515 176.515 176.459 0.056 25436 6520 1 11 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.585 1.084 25436 6521 1 11 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.523 -0.360 25436 6522 1 11 . 1 1 103 103 GLU H H 103 8.100 8.100 8.029 0.071 25436 6523 1 11 . 1 1 104 104 MET N N 104 120.178 120.178 119.153 1.025 25436 6524 1 11 . 1 1 104 104 MET HA H 104 4.332 4.332 4.203 0.129 25436 6525 1 11 . 1 1 104 104 MET C C 104 175.861 175.861 177.074 -1.213 25436 6526 1 11 . 1 1 104 104 MET CA C 104 55.869 55.869 55.462 0.407 25436 6527 1 11 . 1 1 104 104 MET CB C 104 32.993 32.993 33.180 -0.187 25436 6528 1 11 . 1 1 104 104 MET H H 104 8.086 8.086 7.692 0.394 25436 6529 1 11 . 1 1 105 105 TYR N N 105 120.369 120.369 118.700 1.669 25436 6530 1 11 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.472 0.180 25436 6531 1 11 . 1 1 105 105 TYR C C 105 175.318 175.318 176.885 -1.567 25436 6532 1 11 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.589 -1.004 25436 6533 1 11 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.339 0.552 25436 6534 1 11 . 1 1 105 105 TYR H H 105 8.137 8.137 8.624 -0.487 25436 6535 1 12 . 1 1 3 3 SER HA H 3 4.564 4.564 4.399 0.165 25436 6536 1 12 . 1 1 3 3 SER C C 3 173.407 173.407 174.538 -1.131 25436 6537 1 12 . 1 1 3 3 SER CA C 3 58.309 58.309 57.914 0.395 25436 6538 1 12 . 1 1 3 3 SER CB C 3 63.980 63.980 63.628 0.352 25436 6539 1 12 . 1 1 4 4 ASN N N 4 120.204 120.204 119.449 0.755 25436 6540 1 12 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.104 0.113 25436 6541 1 12 . 1 1 4 4 ASN C C 4 176.242 176.242 173.707 2.535 25436 6542 1 12 . 1 1 4 4 ASN CA C 4 53.035 53.035 51.873 1.162 25436 6543 1 12 . 1 1 4 4 ASN CB C 4 38.715 38.715 37.822 0.893 25436 6544 1 12 . 1 1 4 4 ASN H H 4 8.783 8.783 8.569 0.214 25436 6545 1 12 . 1 1 5 5 VAL N N 5 122.598 122.598 118.392 4.206 25436 6546 1 12 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.319 -0.549 25436 6547 1 12 . 1 1 5 5 VAL C C 5 177.222 177.222 175.006 2.216 25436 6548 1 12 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.722 4.084 25436 6549 1 12 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.158 -3.303 25436 6550 1 12 . 1 1 5 5 VAL H H 5 8.326 8.326 7.399 0.927 25436 6551 1 12 . 1 1 6 6 THR N N 6 118.450 118.450 113.695 4.755 25436 6552 1 12 . 1 1 6 6 THR HA H 6 4.682 4.682 4.534 0.148 25436 6553 1 12 . 1 1 6 6 THR C C 6 174.349 174.349 173.663 0.686 25436 6554 1 12 . 1 1 6 6 THR CA C 6 60.542 60.542 61.789 -1.247 25436 6555 1 12 . 1 1 6 6 THR CB C 6 69.771 69.771 69.774 -0.003 25436 6556 1 12 . 1 1 6 6 THR H H 6 9.391 9.391 8.448 0.943 25436 6557 1 12 . 1 1 7 7 ASN N N 7 120.847 120.847 118.192 2.655 25436 6558 1 12 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.609 -0.054 25436 6559 1 12 . 1 1 7 7 ASN C C 7 176.863 176.863 175.029 1.834 25436 6560 1 12 . 1 1 7 7 ASN CA C 7 51.909 51.909 53.053 -1.144 25436 6561 1 12 . 1 1 7 7 ASN CB C 7 38.059 38.059 38.377 -0.318 25436 6562 1 12 . 1 1 7 7 ASN H H 7 7.970 7.970 8.127 -0.157 25436 6563 1 12 . 1 1 8 8 LYS N N 8 121.736 121.736 120.777 0.959 25436 6564 1 12 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.414 -0.160 25436 6565 1 12 . 1 1 8 8 LYS C C 8 180.141 180.141 176.661 3.480 25436 6566 1 12 . 1 1 8 8 LYS CA C 8 58.221 58.221 55.862 2.359 25436 6567 1 12 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.108 -0.818 25436 6568 1 12 . 1 1 8 8 LYS H H 8 8.577 8.577 8.185 0.392 25436 6569 1 12 . 1 1 9 9 THR N N 9 110.800 110.800 110.321 0.479 25436 6570 1 12 . 1 1 9 9 THR HA H 9 4.467 4.467 4.369 0.098 25436 6571 1 12 . 1 1 9 9 THR C C 9 174.484 174.484 173.400 1.084 25436 6572 1 12 . 1 1 9 9 THR CA C 9 61.242 61.242 61.240 0.002 25436 6573 1 12 . 1 1 9 9 THR CB C 9 69.009 69.009 69.609 -0.600 25436 6574 1 12 . 1 1 9 9 THR H H 9 8.695 8.695 8.285 0.410 25436 6575 1 12 . 1 1 10 10 ASP N N 10 120.937 120.937 124.154 -3.217 25436 6576 1 12 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.903 -0.080 25436 6577 1 12 . 1 1 10 10 ASP C C 10 173.945 173.945 176.065 -2.120 25436 6578 1 12 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.883 -1.397 25436 6579 1 12 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.712 -2.162 25436 6580 1 12 . 1 1 10 10 ASP H H 10 7.908 7.908 7.861 0.047 25436 6581 1 12 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.399 -0.249 25436 6582 1 12 . 1 1 11 11 PRO C C 11 178.420 178.420 176.412 2.008 25436 6583 1 12 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.642 1.571 25436 6584 1 12 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.003 0.152 25436 6585 1 12 . 1 1 12 12 ARG N N 12 116.349 116.349 113.701 2.648 25436 6586 1 12 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.834 -0.739 25436 6587 1 12 . 1 1 12 12 ARG C C 12 180.445 180.445 175.954 4.491 25436 6588 1 12 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.254 3.317 25436 6589 1 12 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.038 -0.803 25436 6590 1 12 . 1 1 12 12 ARG H H 12 7.944 7.944 8.015 -0.071 25436 6591 1 12 . 1 1 13 13 SER N N 13 119.401 119.401 114.974 4.427 25436 6592 1 12 . 1 1 13 13 SER HA H 13 4.053 4.053 4.861 -0.808 25436 6593 1 12 . 1 1 13 13 SER C C 13 175.325 175.325 175.342 -0.017 25436 6594 1 12 . 1 1 13 13 SER CA C 13 61.500 61.500 58.753 2.747 25436 6595 1 12 . 1 1 13 13 SER CB C 13 61.798 61.798 64.490 -2.692 25436 6596 1 12 . 1 1 13 13 SER H H 13 8.152 8.152 7.817 0.335 25436 6597 1 12 . 1 1 14 14 MET N N 14 120.254 120.254 118.343 1.911 25436 6598 1 12 . 1 1 14 14 MET HA H 14 4.090 4.090 4.289 -0.199 25436 6599 1 12 . 1 1 14 14 MET C C 14 178.575 178.575 175.648 2.927 25436 6600 1 12 . 1 1 14 14 MET CA C 14 58.317 58.317 57.891 0.426 25436 6601 1 12 . 1 1 14 14 MET CB C 14 31.466 31.466 32.927 -1.461 25436 6602 1 12 . 1 1 14 14 MET H H 14 8.241 8.241 7.917 0.324 25436 6603 1 12 . 1 1 15 15 ASN N N 15 115.299 115.299 111.680 3.619 25436 6604 1 12 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.764 -0.138 25436 6605 1 12 . 1 1 15 15 ASN C C 15 172.554 172.554 175.512 -2.958 25436 6606 1 12 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.160 0.900 25436 6607 1 12 . 1 1 15 15 ASN CB C 15 38.796 38.796 38.782 0.014 25436 6608 1 12 . 1 1 15 15 ASN H H 15 7.962 7.962 8.384 -0.422 25436 6609 1 12 . 1 1 16 16 SER N N 16 106.079 106.079 113.453 -7.374 25436 6610 1 12 . 1 1 16 16 SER HA H 16 4.500 4.500 4.708 -0.208 25436 6611 1 12 . 1 1 16 16 SER C C 16 172.120 172.120 173.966 -1.846 25436 6612 1 12 . 1 1 16 16 SER CA C 16 56.814 56.814 57.756 -0.942 25436 6613 1 12 . 1 1 16 16 SER CB C 16 63.439 63.439 63.915 -0.476 25436 6614 1 12 . 1 1 16 16 SER H H 16 7.249 7.249 8.205 -0.956 25436 6615 1 12 . 1 1 17 17 ARG N N 17 123.335 123.335 120.603 2.732 25436 6616 1 12 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.063 0.522 25436 6617 1 12 . 1 1 17 17 ARG C C 17 174.490 174.490 175.396 -0.906 25436 6618 1 12 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.874 -0.510 25436 6619 1 12 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.944 -1.085 25436 6620 1 12 . 1 1 17 17 ARG H H 17 7.400 7.400 7.682 -0.282 25436 6621 1 12 . 1 1 18 18 VAL N N 18 122.241 122.241 119.268 2.973 25436 6622 1 12 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.614 0.103 25436 6623 1 12 . 1 1 18 18 VAL C C 18 174.862 174.862 174.363 0.499 25436 6624 1 12 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.271 -0.548 25436 6625 1 12 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.674 -0.393 25436 6626 1 12 . 1 1 18 18 VAL H H 18 9.264 9.264 8.531 0.733 25436 6627 1 12 . 1 1 19 19 PHE N N 19 125.933 125.933 129.129 -3.196 25436 6628 1 12 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.298 0.168 25436 6629 1 12 . 1 1 19 19 PHE C C 19 171.966 171.966 173.389 -1.423 25436 6630 1 12 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.151 1.972 25436 6631 1 12 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.542 -0.597 25436 6632 1 12 . 1 1 19 19 PHE H H 19 9.162 9.162 9.272 -0.110 25436 6633 1 12 . 1 1 20 20 ILE N N 20 126.425 126.425 127.737 -1.312 25436 6634 1 12 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.153 -0.284 25436 6635 1 12 . 1 1 20 20 ILE C C 20 173.048 173.048 174.453 -1.405 25436 6636 1 12 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.011 -0.681 25436 6637 1 12 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.236 0.799 25436 6638 1 12 . 1 1 20 20 ILE H H 20 7.723 7.723 8.143 -0.420 25436 6639 1 12 . 1 1 21 21 GLY N N 21 113.255 113.255 110.896 2.359 25436 6640 1 12 . 1 1 21 21 GLY C C 21 173.768 173.768 174.370 -0.602 25436 6641 1 12 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.199 0.731 25436 6642 1 12 . 1 1 21 21 GLY H H 21 8.498 8.498 8.173 0.325 25436 6643 1 12 . 1 1 22 22 ASN N N 22 116.172 116.172 115.407 0.765 25436 6644 1 12 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.287 0.142 25436 6645 1 12 . 1 1 22 22 ASN C C 22 174.204 174.204 174.645 -0.441 25436 6646 1 12 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.203 -0.685 25436 6647 1 12 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.453 0.322 25436 6648 1 12 . 1 1 22 22 ASN H H 22 7.227 7.227 8.419 -1.192 25436 6649 1 12 . 1 1 23 23 LEU N N 23 119.429 119.429 119.031 0.398 25436 6650 1 12 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.332 -0.389 25436 6651 1 12 . 1 1 23 23 LEU C C 23 176.550 176.550 177.057 -0.507 25436 6652 1 12 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.660 -2.083 25436 6653 1 12 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.422 0.945 25436 6654 1 12 . 1 1 23 23 LEU H H 23 7.110 7.110 7.364 -0.254 25436 6655 1 12 . 1 1 24 24 ASN N N 24 122.292 122.292 122.392 -0.100 25436 6656 1 12 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.557 0.515 25436 6657 1 12 . 1 1 24 24 ASN C C 24 175.830 175.830 175.767 0.063 25436 6658 1 12 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.343 -3.842 25436 6659 1 12 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.520 -2.929 25436 6660 1 12 . 1 1 24 24 ASN H H 24 8.975 8.975 8.886 0.089 25436 6661 1 12 . 1 1 25 25 THR N N 25 118.371 118.371 109.037 9.334 25436 6662 1 12 . 1 1 25 25 THR HA H 25 4.411 4.411 4.001 0.410 25436 6663 1 12 . 1 1 25 25 THR C C 25 175.285 175.285 174.674 0.611 25436 6664 1 12 . 1 1 25 25 THR CA C 25 63.453 63.453 64.140 -0.687 25436 6665 1 12 . 1 1 25 25 THR CB C 25 67.150 67.150 66.846 0.304 25436 6666 1 12 . 1 1 25 25 THR H H 25 8.466 8.466 8.313 0.153 25436 6667 1 12 . 1 1 26 26 LEU N N 26 121.017 121.017 118.394 2.623 25436 6668 1 12 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.500 -0.293 25436 6669 1 12 . 1 1 26 26 LEU C C 26 178.243 178.243 177.281 0.962 25436 6670 1 12 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.359 0.380 25436 6671 1 12 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.544 -1.412 25436 6672 1 12 . 1 1 26 26 LEU H H 26 7.583 7.583 7.966 -0.383 25436 6673 1 12 . 1 1 27 27 VAL N N 27 115.968 115.968 115.978 -0.010 25436 6674 1 12 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.234 -0.209 25436 6675 1 12 . 1 1 27 27 VAL C C 27 175.199 175.199 175.528 -0.329 25436 6676 1 12 . 1 1 27 27 VAL CA C 27 63.209 63.209 63.282 -0.074 25436 6677 1 12 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.495 1.688 25436 6678 1 12 . 1 1 27 27 VAL H H 27 6.846 6.846 8.707 -1.861 25436 6679 1 12 . 1 1 28 28 VAL N N 28 121.753 121.753 120.574 1.179 25436 6680 1 12 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.174 -0.307 25436 6681 1 12 . 1 1 28 28 VAL C C 28 174.351 174.351 174.411 -0.060 25436 6682 1 12 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.162 1.018 25436 6683 1 12 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.148 -1.103 25436 6684 1 12 . 1 1 28 28 VAL H H 28 8.389 8.389 7.519 0.870 25436 6685 1 12 . 1 1 29 29 LYS N N 29 124.108 124.108 118.281 5.827 25436 6686 1 12 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.548 0.080 25436 6687 1 12 . 1 1 29 29 LYS C C 29 177.958 177.958 175.789 2.169 25436 6688 1 12 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.702 -1.042 25436 6689 1 12 . 1 1 29 29 LYS CB C 29 34.456 34.456 33.678 0.778 25436 6690 1 12 . 1 1 29 29 LYS H H 29 8.929 8.929 7.736 1.193 25436 6691 1 12 . 1 1 30 30 LYS N N 30 123.352 123.352 121.199 2.153 25436 6692 1 12 . 1 1 30 30 LYS HA H 30 3.663 3.663 4.048 -0.385 25436 6693 1 12 . 1 1 30 30 LYS C C 30 177.638 177.638 178.131 -0.493 25436 6694 1 12 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.567 2.833 25436 6695 1 12 . 1 1 30 30 LYS CB C 30 32.656 32.656 31.685 0.971 25436 6696 1 12 . 1 1 30 30 LYS H H 30 8.994 8.994 8.748 0.246 25436 6697 1 12 . 1 1 31 31 SER N N 31 111.491 111.491 112.385 -0.894 25436 6698 1 12 . 1 1 31 31 SER HA H 31 4.175 4.175 4.651 -0.476 25436 6699 1 12 . 1 1 31 31 SER C C 31 177.616 177.616 174.579 3.037 25436 6700 1 12 . 1 1 31 31 SER CA C 31 61.402 61.402 59.986 1.416 25436 6701 1 12 . 1 1 31 31 SER CB C 31 61.541 61.541 62.809 -1.268 25436 6702 1 12 . 1 1 31 31 SER H H 31 8.686 8.686 8.325 0.361 25436 6703 1 12 . 1 1 32 32 ASP N N 32 122.114 122.114 122.258 -0.144 25436 6704 1 12 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.744 -0.220 25436 6705 1 12 . 1 1 32 32 ASP C C 32 178.193 178.193 178.696 -0.503 25436 6706 1 12 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.165 1.030 25436 6707 1 12 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.549 0.264 25436 6708 1 12 . 1 1 32 32 ASP H H 32 7.147 7.147 7.778 -0.631 25436 6709 1 12 . 1 1 33 33 VAL N N 33 120.064 120.064 120.380 -0.316 25436 6710 1 12 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.869 -0.401 25436 6711 1 12 . 1 1 33 33 VAL C C 33 178.623 178.623 176.869 1.754 25436 6712 1 12 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.431 0.906 25436 6713 1 12 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.854 -0.558 25436 6714 1 12 . 1 1 33 33 VAL H H 33 7.939 7.939 8.240 -0.301 25436 6715 1 12 . 1 1 34 34 GLU N N 34 118.713 118.713 116.546 2.167 25436 6716 1 12 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.184 -0.425 25436 6717 1 12 . 1 1 34 34 GLU C C 34 178.700 178.700 176.581 2.119 25436 6718 1 12 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.606 2.897 25436 6719 1 12 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.197 0.133 25436 6720 1 12 . 1 1 34 34 GLU H H 34 8.641 8.641 7.789 0.852 25436 6721 1 12 . 1 1 35 35 ALA N N 35 121.519 121.519 121.043 0.476 25436 6722 1 12 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.612 -0.462 25436 6723 1 12 . 1 1 35 35 ALA C C 35 180.482 180.482 178.090 2.392 25436 6724 1 12 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.644 2.898 25436 6725 1 12 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.473 -2.416 25436 6726 1 12 . 1 1 35 35 ALA H H 35 7.818 7.818 7.721 0.097 25436 6727 1 12 . 1 1 36 36 ILE N N 36 117.410 117.410 118.133 -0.723 25436 6728 1 12 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.159 -0.491 25436 6729 1 12 . 1 1 36 36 ILE C C 36 178.664 178.664 176.452 2.212 25436 6730 1 12 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.974 1.817 25436 6731 1 12 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.411 0.374 25436 6732 1 12 . 1 1 36 36 ILE H H 36 7.778 7.778 7.644 0.134 25436 6733 1 12 . 1 1 37 37 PHE N N 37 113.502 113.502 116.972 -3.470 25436 6734 1 12 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.808 -0.445 25436 6735 1 12 . 1 1 37 37 PHE C C 37 179.622 179.622 177.527 2.095 25436 6736 1 12 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.799 3.904 25436 6737 1 12 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.480 -3.296 25436 6738 1 12 . 1 1 37 37 PHE H H 37 8.587 8.587 7.802 0.785 25436 6739 1 12 . 1 1 38 38 SER N N 38 122.010 122.010 115.645 6.365 25436 6740 1 12 . 1 1 38 38 SER HA H 38 4.819 4.819 4.696 0.123 25436 6741 1 12 . 1 1 38 38 SER C C 38 175.438 175.438 175.599 -0.161 25436 6742 1 12 . 1 1 38 38 SER CA C 38 61.462 61.462 59.550 1.912 25436 6743 1 12 . 1 1 38 38 SER CB C 38 62.737 62.737 62.790 -0.053 25436 6744 1 12 . 1 1 38 38 SER H H 38 8.827 8.827 8.740 0.087 25436 6745 1 12 . 1 1 39 39 LYS N N 39 119.345 119.345 117.121 2.224 25436 6746 1 12 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.257 -0.290 25436 6747 1 12 . 1 1 39 39 LYS C C 39 177.063 177.063 176.627 0.436 25436 6748 1 12 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.398 0.862 25436 6749 1 12 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.743 -0.181 25436 6750 1 12 . 1 1 39 39 LYS H H 39 7.057 7.057 8.032 -0.975 25436 6751 1 12 . 1 1 40 40 TYR N N 40 114.420 114.420 119.300 -4.880 25436 6752 1 12 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.591 -0.310 25436 6753 1 12 . 1 1 40 40 TYR C C 40 174.841 174.841 174.367 0.474 25436 6754 1 12 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.540 1.316 25436 6755 1 12 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.297 -1.936 25436 6756 1 12 . 1 1 40 40 TYR H H 40 6.956 6.956 7.654 -0.698 25436 6757 1 12 . 1 1 41 41 GLY N N 41 106.506 106.506 105.375 1.131 25436 6758 1 12 . 1 1 41 41 GLY C C 41 170.572 170.572 172.123 -1.551 25436 6759 1 12 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.368 -0.798 25436 6760 1 12 . 1 1 41 41 GLY H H 41 7.430 7.430 7.426 0.004 25436 6761 1 12 . 1 1 42 42 LYS N N 42 117.771 117.771 121.253 -3.482 25436 6762 1 12 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.613 -0.412 25436 6763 1 12 . 1 1 42 42 LYS C C 42 176.535 176.535 176.255 0.280 25436 6764 1 12 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.564 2.568 25436 6765 1 12 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.686 0.270 25436 6766 1 12 . 1 1 42 42 LYS H H 42 8.037 8.037 8.299 -0.262 25436 6767 1 12 . 1 1 43 43 ILE N N 43 127.134 127.134 127.035 0.099 25436 6768 1 12 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.375 -0.349 25436 6769 1 12 . 1 1 43 43 ILE C C 43 176.992 176.992 175.990 1.002 25436 6770 1 12 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.836 -0.439 25436 6771 1 12 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.730 0.137 25436 6772 1 12 . 1 1 43 43 ILE H H 43 8.720 8.720 8.555 0.165 25436 6773 1 12 . 1 1 44 44 VAL N N 44 121.988 121.988 119.907 2.081 25436 6774 1 12 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.559 -0.191 25436 6775 1 12 . 1 1 44 44 VAL C C 44 176.854 176.854 175.368 1.486 25436 6776 1 12 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.604 1.281 25436 6777 1 12 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.154 -0.682 25436 6778 1 12 . 1 1 44 44 VAL H H 44 8.707 8.707 8.946 -0.239 25436 6779 1 12 . 1 1 45 45 GLY N N 45 109.497 109.497 108.217 1.280 25436 6780 1 12 . 1 1 45 45 GLY C C 45 171.265 171.265 171.886 -0.621 25436 6781 1 12 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.701 -0.684 25436 6782 1 12 . 1 1 45 45 GLY H H 45 7.541 7.541 7.588 -0.047 25436 6783 1 12 . 1 1 46 46 CYS N N 46 124.565 124.565 121.104 3.461 25436 6784 1 12 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.150 -0.139 25436 6785 1 12 . 1 1 46 46 CYS C C 46 172.072 172.072 172.419 -0.347 25436 6786 1 12 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.620 0.364 25436 6787 1 12 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.311 -1.982 25436 6788 1 12 . 1 1 46 46 CYS H H 46 8.983 8.983 8.699 0.284 25436 6789 1 12 . 1 1 47 47 SER N N 47 122.911 122.911 120.371 2.540 25436 6790 1 12 . 1 1 47 47 SER HA H 47 4.906 4.906 4.995 -0.089 25436 6791 1 12 . 1 1 47 47 SER C C 47 171.848 171.848 172.339 -0.491 25436 6792 1 12 . 1 1 47 47 SER CA C 47 56.487 56.487 57.315 -0.828 25436 6793 1 12 . 1 1 47 47 SER CB C 47 65.679 65.679 66.272 -0.593 25436 6794 1 12 . 1 1 47 47 SER H H 47 8.568 8.568 8.870 -0.302 25436 6795 1 12 . 1 1 48 48 VAL N N 48 121.488 121.488 120.423 1.065 25436 6796 1 12 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.103 0.039 25436 6797 1 12 . 1 1 48 48 VAL C C 48 173.990 173.990 174.240 -0.250 25436 6798 1 12 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.063 1.184 25436 6799 1 12 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.577 -0.709 25436 6800 1 12 . 1 1 48 48 VAL H H 48 8.588 8.588 8.256 0.332 25436 6801 1 12 . 1 1 49 49 HIS N N 49 130.227 130.227 123.449 6.778 25436 6802 1 12 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.630 -0.221 25436 6803 1 12 . 1 1 49 49 HIS C C 49 173.949 173.949 173.541 0.408 25436 6804 1 12 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.005 0.661 25436 6805 1 12 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.382 -1.264 25436 6806 1 12 . 1 1 49 49 HIS H H 49 8.380 8.380 8.388 -0.008 25436 6807 1 12 . 1 1 50 50 LYS N N 50 121.171 121.171 119.748 1.423 25436 6808 1 12 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.999 0.435 25436 6809 1 12 . 1 1 50 50 LYS C C 50 175.527 175.527 177.389 -1.862 25436 6810 1 12 . 1 1 50 50 LYS CA C 50 55.918 55.918 55.995 -0.077 25436 6811 1 12 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.174 -1.753 25436 6812 1 12 . 1 1 50 50 LYS H H 50 7.717 7.717 8.109 -0.392 25436 6813 1 12 . 1 1 51 51 GLY N N 51 113.993 113.993 111.856 2.137 25436 6814 1 12 . 1 1 51 51 GLY C C 51 174.252 174.252 172.940 1.312 25436 6815 1 12 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.431 -1.024 25436 6816 1 12 . 1 1 51 51 GLY H H 51 9.404 9.404 8.778 0.626 25436 6817 1 12 . 1 1 52 52 PHE N N 52 112.326 112.326 114.268 -1.942 25436 6818 1 12 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.597 -0.305 25436 6819 1 12 . 1 1 52 52 PHE C C 52 171.605 171.605 172.965 -1.360 25436 6820 1 12 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.380 0.874 25436 6821 1 12 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.385 -0.344 25436 6822 1 12 . 1 1 52 52 PHE H H 52 7.006 7.006 7.068 -0.062 25436 6823 1 12 . 1 1 53 53 ALA N N 53 119.722 119.722 119.153 0.569 25436 6824 1 12 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.822 -0.015 25436 6825 1 12 . 1 1 53 53 ALA C C 53 173.029 173.029 174.504 -1.475 25436 6826 1 12 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.063 -0.767 25436 6827 1 12 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.418 2.381 25436 6828 1 12 . 1 1 53 53 ALA H H 53 8.677 8.677 8.347 0.330 25436 6829 1 12 . 1 1 54 54 PHE N N 54 112.104 112.104 116.058 -3.954 25436 6830 1 12 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.761 -0.181 25436 6831 1 12 . 1 1 54 54 PHE C C 54 175.794 175.794 174.486 1.308 25436 6832 1 12 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.912 -0.198 25436 6833 1 12 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.534 -0.248 25436 6834 1 12 . 1 1 54 54 PHE H H 54 8.797 8.797 9.015 -0.218 25436 6835 1 12 . 1 1 55 55 VAL N N 55 118.542 118.542 120.152 -1.610 25436 6836 1 12 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.427 -0.214 25436 6837 1 12 . 1 1 55 55 VAL C C 55 172.806 172.806 173.854 -1.048 25436 6838 1 12 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.088 0.840 25436 6839 1 12 . 1 1 55 55 VAL CB C 55 34.920 34.920 36.016 -1.096 25436 6840 1 12 . 1 1 55 55 VAL H H 55 8.295 8.295 8.557 -0.262 25436 6841 1 12 . 1 1 56 56 GLN N N 56 128.473 128.473 123.576 4.897 25436 6842 1 12 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.760 -0.190 25436 6843 1 12 . 1 1 56 56 GLN C C 56 173.893 173.893 174.264 -0.371 25436 6844 1 12 . 1 1 56 56 GLN CA C 56 54.264 54.264 54.016 0.248 25436 6845 1 12 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.766 1.304 25436 6846 1 12 . 1 1 56 56 GLN H H 56 9.263 9.263 8.885 0.378 25436 6847 1 12 . 1 1 57 57 TYR N N 57 127.679 127.679 125.499 2.180 25436 6848 1 12 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.269 0.018 25436 6849 1 12 . 1 1 57 57 TYR C C 57 175.609 175.609 176.581 -0.972 25436 6850 1 12 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.144 1.524 25436 6851 1 12 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.313 -0.279 25436 6852 1 12 . 1 1 57 57 TYR H H 57 8.928 8.928 8.886 0.042 25436 6853 1 12 . 1 1 58 58 VAL N N 58 116.710 116.710 118.033 -1.323 25436 6854 1 12 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.919 0.196 25436 6855 1 12 . 1 1 58 58 VAL C C 58 175.859 175.859 175.134 0.725 25436 6856 1 12 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.073 -0.015 25436 6857 1 12 . 1 1 58 58 VAL CB C 58 33.013 33.013 31.917 1.096 25436 6858 1 12 . 1 1 58 58 VAL H H 58 9.479 9.479 8.664 0.815 25436 6859 1 12 . 1 1 59 59 ASN N N 59 112.455 112.455 112.867 -0.412 25436 6860 1 12 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.839 0.320 25436 6861 1 12 . 1 1 59 59 ASN C C 59 174.482 174.482 175.222 -0.740 25436 6862 1 12 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.846 0.096 25436 6863 1 12 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.285 1.907 25436 6864 1 12 . 1 1 59 59 ASN H H 59 7.218 7.218 7.479 -0.261 25436 6865 1 12 . 1 1 60 60 GLU N N 60 124.337 124.337 121.199 3.138 25436 6866 1 12 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.275 0.044 25436 6867 1 12 . 1 1 60 60 GLU C C 60 178.201 178.201 178.083 0.118 25436 6868 1 12 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.481 -0.741 25436 6869 1 12 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.948 0.409 25436 6870 1 12 . 1 1 60 60 GLU H H 60 8.808 8.808 8.971 -0.163 25436 6871 1 12 . 1 1 61 61 ARG N N 61 118.265 118.265 119.863 -1.598 25436 6872 1 12 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.041 -0.044 25436 6873 1 12 . 1 1 61 61 ARG C C 61 179.340 179.340 178.630 0.710 25436 6874 1 12 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.582 0.897 25436 6875 1 12 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.357 -0.003 25436 6876 1 12 . 1 1 61 61 ARG H H 61 8.630 8.630 7.810 0.820 25436 6877 1 12 . 1 1 62 62 ASN N N 62 118.081 118.081 117.967 0.114 25436 6878 1 12 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.270 0.010 25436 6879 1 12 . 1 1 62 62 ASN C C 62 174.851 174.851 176.722 -1.871 25436 6880 1 12 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.242 0.210 25436 6881 1 12 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.319 0.699 25436 6882 1 12 . 1 1 62 62 ASN H H 62 7.785 7.785 8.964 -1.179 25436 6883 1 12 . 1 1 63 63 ALA N N 63 119.543 119.543 123.383 -3.840 25436 6884 1 12 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.457 -0.701 25436 6885 1 12 . 1 1 63 63 ALA C C 63 178.861 178.861 179.625 -0.764 25436 6886 1 12 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.186 -0.225 25436 6887 1 12 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.804 -0.264 25436 6888 1 12 . 1 1 63 63 ALA H H 63 6.779 6.779 7.409 -0.630 25436 6889 1 12 . 1 1 64 64 ARG N N 64 114.965 114.965 118.812 -3.847 25436 6890 1 12 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.081 -0.239 25436 6891 1 12 . 1 1 64 64 ARG C C 64 179.775 179.775 178.633 1.142 25436 6892 1 12 . 1 1 64 64 ARG CA C 64 60.190 60.190 58.482 1.708 25436 6893 1 12 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.646 -0.334 25436 6894 1 12 . 1 1 64 64 ARG H H 64 8.755 8.755 8.162 0.593 25436 6895 1 12 . 1 1 65 65 ALA N N 65 123.704 123.704 121.696 2.008 25436 6896 1 12 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.088 0.042 25436 6897 1 12 . 1 1 65 65 ALA C C 65 179.560 179.560 178.468 1.092 25436 6898 1 12 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.844 0.135 25436 6899 1 12 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.223 -0.331 25436 6900 1 12 . 1 1 65 65 ALA H H 65 7.823 7.823 7.481 0.342 25436 6901 1 12 . 1 1 66 66 ALA N N 66 123.797 123.797 118.808 4.989 25436 6902 1 12 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.615 -1.539 25436 6903 1 12 . 1 1 66 66 ALA C C 66 179.259 179.259 179.286 -0.027 25436 6904 1 12 . 1 1 66 66 ALA CA C 66 54.288 54.288 53.969 0.319 25436 6905 1 12 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.265 0.011 25436 6906 1 12 . 1 1 66 66 ALA H H 66 7.545 7.545 7.467 0.078 25436 6907 1 12 . 1 1 67 67 VAL N N 67 116.549 116.549 118.142 -1.593 25436 6908 1 12 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.810 -0.456 25436 6909 1 12 . 1 1 67 67 VAL C C 67 177.744 177.744 176.509 1.235 25436 6910 1 12 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.128 0.405 25436 6911 1 12 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.680 0.289 25436 6912 1 12 . 1 1 67 67 VAL H H 67 7.619 7.619 8.465 -0.846 25436 6913 1 12 . 1 1 68 68 ALA N N 68 118.193 118.193 119.693 -1.500 25436 6914 1 12 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.417 -0.290 25436 6915 1 12 . 1 1 68 68 ALA C C 68 180.748 180.748 177.917 2.831 25436 6916 1 12 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.832 1.529 25436 6917 1 12 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.300 -1.172 25436 6918 1 12 . 1 1 68 68 ALA H H 68 7.550 7.550 7.483 0.067 25436 6919 1 12 . 1 1 69 69 GLY N N 69 103.773 103.773 106.192 -2.419 25436 6920 1 12 . 1 1 69 69 GLY C C 69 175.626 175.626 175.313 0.313 25436 6921 1 12 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.407 0.719 25436 6922 1 12 . 1 1 69 69 GLY H H 69 8.140 8.140 7.439 0.702 25436 6923 1 12 . 1 1 70 70 GLU N N 70 114.547 114.547 118.071 -3.524 25436 6924 1 12 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.452 0.184 25436 6925 1 12 . 1 1 70 70 GLU C C 70 176.391 176.391 175.111 1.280 25436 6926 1 12 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.603 -0.445 25436 6927 1 12 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.371 -0.106 25436 6928 1 12 . 1 1 70 70 GLU H H 70 7.654 7.654 8.035 -0.381 25436 6929 1 12 . 1 1 71 71 ASP N N 71 118.202 118.202 120.496 -2.294 25436 6930 1 12 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.322 -0.035 25436 6931 1 12 . 1 1 71 71 ASP C C 71 178.698 178.698 177.773 0.925 25436 6932 1 12 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.119 1.412 25436 6933 1 12 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.964 0.407 25436 6934 1 12 . 1 1 71 71 ASP H H 71 8.020 8.020 7.566 0.454 25436 6935 1 12 . 1 1 72 72 GLY N N 72 114.301 114.301 114.616 -0.315 25436 6936 1 12 . 1 1 72 72 GLY C C 72 173.791 173.791 173.625 0.166 25436 6937 1 12 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.188 0.571 25436 6938 1 12 . 1 1 72 72 GLY H H 72 8.305 8.305 8.457 -0.152 25436 6939 1 12 . 1 1 73 73 ARG N N 73 121.994 121.994 118.464 3.530 25436 6940 1 12 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.553 -0.358 25436 6941 1 12 . 1 1 73 73 ARG C C 73 175.187 175.187 174.897 0.290 25436 6942 1 12 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.762 1.740 25436 6943 1 12 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.837 -0.585 25436 6944 1 12 . 1 1 73 73 ARG H H 73 7.980 7.980 7.752 0.228 25436 6945 1 12 . 1 1 74 74 MET N N 74 125.081 125.081 122.043 3.038 25436 6946 1 12 . 1 1 74 74 MET HA H 74 4.823 4.823 5.111 -0.288 25436 6947 1 12 . 1 1 74 74 MET C C 74 175.726 175.726 175.138 0.588 25436 6948 1 12 . 1 1 74 74 MET CA C 74 55.029 55.029 55.217 -0.188 25436 6949 1 12 . 1 1 74 74 MET CB C 74 33.092 33.092 34.559 -1.467 25436 6950 1 12 . 1 1 74 74 MET H H 74 8.712 8.712 8.423 0.289 25436 6951 1 12 . 1 1 75 75 ILE N N 75 127.490 127.490 125.557 1.933 25436 6952 1 12 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.484 -0.102 25436 6953 1 12 . 1 1 75 75 ILE C C 75 175.276 175.276 175.501 -0.225 25436 6954 1 12 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.869 -1.065 25436 6955 1 12 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.177 -0.781 25436 6956 1 12 . 1 1 75 75 ILE H H 75 8.589 8.589 8.954 -0.365 25436 6957 1 12 . 1 1 76 76 ALA N N 76 132.147 132.147 127.570 4.577 25436 6958 1 12 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.038 -0.000 25436 6959 1 12 . 1 1 76 76 ALA C C 76 177.205 177.205 177.765 -0.560 25436 6960 1 12 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.095 -1.161 25436 6961 1 12 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.015 0.133 25436 6962 1 12 . 1 1 76 76 ALA H H 76 9.547 9.547 8.967 0.580 25436 6963 1 12 . 1 1 77 77 GLY N N 77 101.695 101.695 101.896 -0.201 25436 6964 1 12 . 1 1 77 77 GLY C C 77 174.205 174.205 174.150 0.055 25436 6965 1 12 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.954 0.809 25436 6966 1 12 . 1 1 77 77 GLY H H 77 8.445 8.445 8.332 0.112 25436 6967 1 12 . 1 1 78 78 GLN N N 78 119.020 119.020 118.970 0.050 25436 6968 1 12 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.714 0.015 25436 6969 1 12 . 1 1 78 78 GLN C C 78 174.046 174.046 174.445 -0.399 25436 6970 1 12 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.151 0.044 25436 6971 1 12 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.670 -0.781 25436 6972 1 12 . 1 1 78 78 GLN H H 78 7.720 7.720 7.909 -0.189 25436 6973 1 12 . 1 1 79 79 VAL N N 79 123.374 123.374 121.927 1.447 25436 6974 1 12 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.993 -0.981 25436 6975 1 12 . 1 1 79 79 VAL C C 79 176.347 176.347 175.672 0.675 25436 6976 1 12 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.220 1.435 25436 6977 1 12 . 1 1 79 79 VAL CB C 79 32.084 32.084 32.766 -0.682 25436 6978 1 12 . 1 1 79 79 VAL H H 79 8.532 8.532 8.382 0.150 25436 6979 1 12 . 1 1 80 80 LEU N N 80 128.569 128.569 122.246 6.323 25436 6980 1 12 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.946 -0.659 25436 6981 1 12 . 1 1 80 80 LEU C C 80 176.521 176.521 175.252 1.269 25436 6982 1 12 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.020 4.043 25436 6983 1 12 . 1 1 80 80 LEU CB C 80 42.821 42.821 42.968 -0.147 25436 6984 1 12 . 1 1 80 80 LEU H H 80 9.014 9.014 8.153 0.861 25436 6985 1 12 . 1 1 81 81 ASP N N 81 124.359 124.359 122.606 1.753 25436 6986 1 12 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.153 0.072 25436 6987 1 12 . 1 1 81 81 ASP C C 81 174.659 174.659 175.362 -0.703 25436 6988 1 12 . 1 1 81 81 ASP CA C 81 52.955 52.955 53.055 -0.100 25436 6989 1 12 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.758 0.914 25436 6990 1 12 . 1 1 81 81 ASP H H 81 7.850 7.850 8.316 -0.466 25436 6991 1 12 . 1 1 82 82 ILE N N 82 123.155 123.155 126.419 -3.264 25436 6992 1 12 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.966 0.436 25436 6993 1 12 . 1 1 82 82 ILE C C 82 174.520 174.520 175.318 -0.798 25436 6994 1 12 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.150 -0.918 25436 6995 1 12 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.681 1.282 25436 6996 1 12 . 1 1 82 82 ILE H H 82 9.086 9.086 8.574 0.512 25436 6997 1 12 . 1 1 83 83 ASN N N 83 116.417 116.417 122.654 -6.237 25436 6998 1 12 . 1 1 83 83 ASN HA H 83 4.847 4.847 5.003 -0.156 25436 6999 1 12 . 1 1 83 83 ASN C C 83 174.565 174.565 173.708 0.857 25436 7000 1 12 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.186 0.862 25436 7001 1 12 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.419 0.692 25436 7002 1 12 . 1 1 83 83 ASN H H 83 8.495 8.495 8.623 -0.128 25436 7003 1 12 . 1 1 84 84 LEU N N 84 123.786 123.786 121.432 2.354 25436 7004 1 12 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.456 0.266 25436 7005 1 12 . 1 1 84 84 LEU C C 84 180.968 180.968 178.487 2.481 25436 7006 1 12 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.402 -0.102 25436 7007 1 12 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.521 -2.205 25436 7008 1 12 . 1 1 84 84 LEU H H 84 9.427 9.427 8.823 0.604 25436 7009 1 12 . 1 1 85 85 ALA N N 85 127.571 127.571 125.805 1.766 25436 7010 1 12 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.408 -0.360 25436 7011 1 12 . 1 1 85 85 ALA C C 85 177.931 177.931 176.654 1.277 25436 7012 1 12 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.056 2.240 25436 7013 1 12 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.046 -1.093 25436 7014 1 12 . 1 1 85 85 ALA H H 85 9.295 9.295 8.524 0.771 25436 7015 1 12 . 1 1 86 86 ALA N N 86 115.985 115.985 118.093 -2.108 25436 7016 1 12 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.415 -0.005 25436 7017 1 12 . 1 1 86 86 ALA C C 86 176.152 176.152 176.666 -0.514 25436 7018 1 12 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.994 -0.222 25436 7019 1 12 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.271 0.054 25436 7020 1 12 . 1 1 86 86 ALA H H 86 8.657 8.657 8.147 0.510 25436 7021 1 12 . 1 1 87 87 GLU N N 87 118.975 118.975 119.573 -0.598 25436 7022 1 12 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.595 0.140 25436 7023 1 12 . 1 1 87 87 GLU C C 87 171.676 171.676 173.767 -2.091 25436 7024 1 12 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.350 -0.202 25436 7025 1 12 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.088 -0.172 25436 7026 1 12 . 1 1 87 87 GLU H H 87 7.913 7.913 7.848 0.065 25436 7027 1 12 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.521 -0.174 25436 7028 1 12 . 1 1 88 88 PRO C C 88 177.303 177.303 176.487 0.816 25436 7029 1 12 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.176 -0.298 25436 7030 1 12 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.425 -0.523 25436 7031 1 12 . 1 1 89 89 LYS N N 89 121.335 121.335 122.433 -1.098 25436 7032 1 12 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.397 -0.157 25436 7033 1 12 . 1 1 89 89 LYS C C 89 177.689 177.689 175.803 1.886 25436 7034 1 12 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.116 0.635 25436 7035 1 12 . 1 1 89 89 LYS CB C 89 33.436 33.436 32.996 0.440 25436 7036 1 12 . 1 1 89 89 LYS H H 89 8.020 8.020 8.670 -0.650 25436 7037 1 12 . 1 1 90 90 VAL N N 90 120.786 120.786 118.458 2.328 25436 7038 1 12 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.184 -0.262 25436 7039 1 12 . 1 1 90 90 VAL C C 90 176.169 176.169 176.077 0.092 25436 7040 1 12 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.248 2.050 25436 7041 1 12 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.318 -1.051 25436 7042 1 12 . 1 1 90 90 VAL H H 90 8.232 8.232 7.652 0.580 25436 7043 1 12 . 1 1 91 91 ASN N N 91 119.214 119.214 121.977 -2.763 25436 7044 1 12 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.746 -0.087 25436 7045 1 12 . 1 1 91 91 ASN C C 91 175.172 175.172 174.982 0.190 25436 7046 1 12 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.369 -0.341 25436 7047 1 12 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.487 -0.318 25436 7048 1 12 . 1 1 91 91 ASN H H 91 8.453 8.453 8.681 -0.228 25436 7049 1 12 . 1 1 92 92 ARG N N 92 120.709 120.709 115.002 5.707 25436 7050 1 12 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.087 0.167 25436 7051 1 12 . 1 1 92 92 ARG C C 92 176.991 176.991 175.946 1.045 25436 7052 1 12 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.555 -0.055 25436 7053 1 12 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.227 2.380 25436 7054 1 12 . 1 1 92 92 ARG H H 92 7.925 7.925 8.346 -0.421 25436 7055 1 12 . 1 1 93 93 GLY N N 93 110.299 110.299 104.990 5.309 25436 7056 1 12 . 1 1 93 93 GLY C C 93 174.245 174.245 174.983 -0.738 25436 7057 1 12 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.492 0.924 25436 7058 1 12 . 1 1 93 93 GLY H H 93 8.593 8.593 8.240 0.353 25436 7059 1 12 . 1 1 94 94 LYS N N 94 120.781 120.781 115.224 5.557 25436 7060 1 12 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.974 0.320 25436 7061 1 12 . 1 1 94 94 LYS C C 94 176.524 176.524 175.253 1.271 25436 7062 1 12 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.717 -1.610 25436 7063 1 12 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.003 2.137 25436 7064 1 12 . 1 1 94 94 LYS H H 94 8.126 8.126 8.401 -0.275 25436 7065 1 12 . 1 1 95 95 ALA N N 95 125.012 125.012 118.192 6.820 25436 7066 1 12 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.570 -0.271 25436 7067 1 12 . 1 1 95 95 ALA C C 95 178.324 178.324 177.562 0.762 25436 7068 1 12 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.070 0.731 25436 7069 1 12 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.467 -1.289 25436 7070 1 12 . 1 1 95 95 ALA H H 95 8.435 8.435 7.861 0.574 25436 7071 1 12 . 1 1 96 96 GLY N N 96 108.312 108.312 105.896 2.416 25436 7072 1 12 . 1 1 96 96 GLY C C 96 174.095 174.095 174.467 -0.372 25436 7073 1 12 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.316 -1.034 25436 7074 1 12 . 1 1 96 96 GLY H H 96 8.414 8.414 8.723 -0.309 25436 7075 1 12 . 1 1 97 97 VAL N N 97 119.818 119.818 117.467 2.351 25436 7076 1 12 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.151 -0.079 25436 7077 1 12 . 1 1 97 97 VAL C C 97 176.155 176.155 175.989 0.166 25436 7078 1 12 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.201 -0.857 25436 7079 1 12 . 1 1 97 97 VAL CB C 97 32.757 32.757 32.737 0.020 25436 7080 1 12 . 1 1 97 97 VAL H H 97 7.919 7.919 7.933 -0.014 25436 7081 1 12 . 1 1 98 98 LYS N N 98 125.912 125.912 119.238 6.674 25436 7082 1 12 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.681 -0.348 25436 7083 1 12 . 1 1 98 98 LYS C C 98 176.426 176.426 175.908 0.518 25436 7084 1 12 . 1 1 98 98 LYS CA C 98 56.169 56.169 54.491 1.678 25436 7085 1 12 . 1 1 98 98 LYS CB C 98 33.048 33.048 34.781 -1.733 25436 7086 1 12 . 1 1 98 98 LYS H H 98 8.466 8.466 7.892 0.574 25436 7087 1 12 . 1 1 99 99 ARG N N 99 123.544 123.544 120.453 3.091 25436 7088 1 12 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.368 0.001 25436 7089 1 12 . 1 1 99 99 ARG C C 99 176.230 176.230 177.989 -1.759 25436 7090 1 12 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.959 0.035 25436 7091 1 12 . 1 1 99 99 ARG CB C 99 31.164 31.164 30.554 0.610 25436 7092 1 12 . 1 1 99 99 ARG H H 99 8.468 8.468 8.623 -0.155 25436 7093 1 12 . 1 1 100 100 SER N N 100 117.781 117.781 117.262 0.519 25436 7094 1 12 . 1 1 100 100 SER HA H 100 4.452 4.452 4.413 0.039 25436 7095 1 12 . 1 1 100 100 SER C C 100 174.555 174.555 174.125 0.430 25436 7096 1 12 . 1 1 100 100 SER CA C 100 58.036 58.036 58.514 -0.478 25436 7097 1 12 . 1 1 100 100 SER CB C 100 64.139 64.139 62.260 1.879 25436 7098 1 12 . 1 1 100 100 SER H H 100 8.507 8.507 8.868 -0.361 25436 7099 1 12 . 1 1 101 101 ALA N N 101 126.090 126.090 119.584 6.506 25436 7100 1 12 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.041 0.229 25436 7101 1 12 . 1 1 101 101 ALA C C 101 178.046 178.046 176.980 1.066 25436 7102 1 12 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.824 -0.554 25436 7103 1 12 . 1 1 101 101 ALA CB C 101 19.032 19.032 17.758 1.274 25436 7104 1 12 . 1 1 101 101 ALA H H 101 8.529 8.529 7.600 0.929 25436 7105 1 12 . 1 1 102 102 ALA N N 102 121.750 121.750 118.591 3.159 25436 7106 1 12 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.562 -0.335 25436 7107 1 12 . 1 1 102 102 ALA C C 102 178.253 178.253 177.623 0.630 25436 7108 1 12 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.778 0.217 25436 7109 1 12 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.652 -0.574 25436 7110 1 12 . 1 1 102 102 ALA H H 102 8.219 8.219 8.010 0.209 25436 7111 1 12 . 1 1 103 103 GLU N N 103 118.819 118.819 118.533 0.286 25436 7112 1 12 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.357 -0.155 25436 7113 1 12 . 1 1 103 103 GLU C C 103 176.515 176.515 175.548 0.967 25436 7114 1 12 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.641 1.028 25436 7115 1 12 . 1 1 103 103 GLU CB C 103 30.162 30.162 29.939 0.223 25436 7116 1 12 . 1 1 103 103 GLU H H 103 8.100 8.100 8.330 -0.230 25436 7117 1 12 . 1 1 104 104 MET N N 104 120.178 120.178 119.251 0.927 25436 7118 1 12 . 1 1 104 104 MET HA H 104 4.332 4.332 4.210 0.122 25436 7119 1 12 . 1 1 104 104 MET C C 104 175.861 175.861 177.128 -1.267 25436 7120 1 12 . 1 1 104 104 MET CA C 104 55.869 55.869 55.491 0.378 25436 7121 1 12 . 1 1 104 104 MET CB C 104 32.993 32.993 33.377 -0.384 25436 7122 1 12 . 1 1 104 104 MET H H 104 8.086 8.086 7.509 0.577 25436 7123 1 12 . 1 1 105 105 TYR N N 105 120.369 120.369 118.766 1.603 25436 7124 1 12 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.377 0.275 25436 7125 1 12 . 1 1 105 105 TYR C C 105 175.318 175.318 176.854 -1.536 25436 7126 1 12 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.810 -1.225 25436 7127 1 12 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.071 0.820 25436 7128 1 12 . 1 1 105 105 TYR H H 105 8.137 8.137 8.404 -0.267 25436 7129 1 13 . 1 1 3 3 SER HA H 3 4.564 4.564 4.419 0.145 25436 7130 1 13 . 1 1 3 3 SER C C 3 173.407 173.407 174.602 -1.195 25436 7131 1 13 . 1 1 3 3 SER CA C 3 58.309 58.309 58.381 -0.072 25436 7132 1 13 . 1 1 3 3 SER CB C 3 63.980 63.980 63.550 0.430 25436 7133 1 13 . 1 1 4 4 ASN N N 4 120.204 120.204 117.169 3.035 25436 7134 1 13 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.563 0.654 25436 7135 1 13 . 1 1 4 4 ASN C C 4 176.242 176.242 173.736 2.506 25436 7136 1 13 . 1 1 4 4 ASN CA C 4 53.035 53.035 54.153 -1.117 25436 7137 1 13 . 1 1 4 4 ASN CB C 4 38.715 38.715 37.718 0.998 25436 7138 1 13 . 1 1 4 4 ASN H H 4 8.783 8.783 8.246 0.537 25436 7139 1 13 . 1 1 5 5 VAL N N 5 122.598 122.598 117.119 5.479 25436 7140 1 13 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.289 -0.519 25436 7141 1 13 . 1 1 5 5 VAL C C 5 177.222 177.222 174.336 2.886 25436 7142 1 13 . 1 1 5 5 VAL CA C 5 65.806 65.806 60.738 5.068 25436 7143 1 13 . 1 1 5 5 VAL CB C 5 30.855 30.855 35.215 -4.360 25436 7144 1 13 . 1 1 5 5 VAL H H 5 8.326 8.326 7.414 0.912 25436 7145 1 13 . 1 1 6 6 THR N N 6 118.450 118.450 117.693 0.757 25436 7146 1 13 . 1 1 6 6 THR HA H 6 4.682 4.682 4.653 0.029 25436 7147 1 13 . 1 1 6 6 THR C C 6 174.349 174.349 173.157 1.192 25436 7148 1 13 . 1 1 6 6 THR CA C 6 60.542 60.542 61.684 -1.143 25436 7149 1 13 . 1 1 6 6 THR CB C 6 69.771 69.771 69.231 0.540 25436 7150 1 13 . 1 1 6 6 THR H H 6 9.391 9.391 8.238 1.153 25436 7151 1 13 . 1 1 7 7 ASN N N 7 120.847 120.847 117.441 3.406 25436 7152 1 13 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.506 0.049 25436 7153 1 13 . 1 1 7 7 ASN C C 7 176.863 176.863 175.916 0.947 25436 7154 1 13 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.602 -0.693 25436 7155 1 13 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.776 0.283 25436 7156 1 13 . 1 1 7 7 ASN H H 7 7.970 7.970 7.907 0.063 25436 7157 1 13 . 1 1 8 8 LYS N N 8 121.736 121.736 121.478 0.258 25436 7158 1 13 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.252 0.002 25436 7159 1 13 . 1 1 8 8 LYS C C 8 180.141 180.141 176.625 3.516 25436 7160 1 13 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.780 1.441 25436 7161 1 13 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.941 -0.652 25436 7162 1 13 . 1 1 8 8 LYS H H 8 8.577 8.577 8.156 0.421 25436 7163 1 13 . 1 1 9 9 THR N N 9 110.800 110.800 108.768 2.032 25436 7164 1 13 . 1 1 9 9 THR HA H 9 4.467 4.467 4.421 0.046 25436 7165 1 13 . 1 1 9 9 THR C C 9 174.484 174.484 173.520 0.964 25436 7166 1 13 . 1 1 9 9 THR CA C 9 61.242 61.242 61.307 -0.065 25436 7167 1 13 . 1 1 9 9 THR CB C 9 69.009 69.009 69.531 -0.522 25436 7168 1 13 . 1 1 9 9 THR H H 9 8.695 8.695 8.337 0.358 25436 7169 1 13 . 1 1 10 10 ASP N N 10 120.937 120.937 123.630 -2.693 25436 7170 1 13 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.833 -0.010 25436 7171 1 13 . 1 1 10 10 ASP C C 10 173.945 173.945 176.529 -2.584 25436 7172 1 13 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.735 -1.249 25436 7173 1 13 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.765 -2.215 25436 7174 1 13 . 1 1 10 10 ASP H H 10 7.908 7.908 7.838 0.070 25436 7175 1 13 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.399 -0.249 25436 7176 1 13 . 1 1 11 11 PRO C C 11 178.420 178.420 176.512 1.908 25436 7177 1 13 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.794 1.419 25436 7178 1 13 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.021 0.134 25436 7179 1 13 . 1 1 12 12 ARG N N 12 116.349 116.349 115.672 0.677 25436 7180 1 13 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.731 -0.636 25436 7181 1 13 . 1 1 12 12 ARG C C 12 180.445 180.445 177.637 2.808 25436 7182 1 13 . 1 1 12 12 ARG CA C 12 59.571 59.571 57.273 2.298 25436 7183 1 13 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.163 -0.928 25436 7184 1 13 . 1 1 12 12 ARG H H 12 7.944 7.944 8.047 -0.103 25436 7185 1 13 . 1 1 13 13 SER N N 13 119.401 119.401 116.749 2.652 25436 7186 1 13 . 1 1 13 13 SER HA H 13 4.053 4.053 4.416 -0.363 25436 7187 1 13 . 1 1 13 13 SER C C 13 175.325 175.325 175.263 0.062 25436 7188 1 13 . 1 1 13 13 SER CA C 13 61.500 61.500 61.444 0.056 25436 7189 1 13 . 1 1 13 13 SER CB C 13 61.798 61.798 63.030 -1.232 25436 7190 1 13 . 1 1 13 13 SER H H 13 8.152 8.152 8.176 -0.024 25436 7191 1 13 . 1 1 14 14 MET N N 14 120.254 120.254 115.858 4.396 25436 7192 1 13 . 1 1 14 14 MET HA H 14 4.090 4.090 4.301 -0.211 25436 7193 1 13 . 1 1 14 14 MET C C 14 178.575 178.575 176.001 2.574 25436 7194 1 13 . 1 1 14 14 MET CA C 14 58.317 58.317 57.429 0.888 25436 7195 1 13 . 1 1 14 14 MET CB C 14 31.466 31.466 32.749 -1.283 25436 7196 1 13 . 1 1 14 14 MET H H 14 8.241 8.241 7.744 0.497 25436 7197 1 13 . 1 1 15 15 ASN N N 15 115.299 115.299 112.324 2.975 25436 7198 1 13 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.927 -0.301 25436 7199 1 13 . 1 1 15 15 ASN C C 15 172.554 172.554 175.208 -2.654 25436 7200 1 13 . 1 1 15 15 ASN CA C 15 54.060 54.060 52.770 1.290 25436 7201 1 13 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.667 -0.871 25436 7202 1 13 . 1 1 15 15 ASN H H 15 7.962 7.962 7.671 0.291 25436 7203 1 13 . 1 1 16 16 SER N N 16 106.079 106.079 114.694 -8.615 25436 7204 1 13 . 1 1 16 16 SER HA H 16 4.500 4.500 4.882 -0.382 25436 7205 1 13 . 1 1 16 16 SER C C 16 172.120 172.120 173.495 -1.375 25436 7206 1 13 . 1 1 16 16 SER CA C 16 56.814 56.814 58.545 -1.732 25436 7207 1 13 . 1 1 16 16 SER CB C 16 63.439 63.439 64.053 -0.614 25436 7208 1 13 . 1 1 16 16 SER H H 16 7.249 7.249 7.510 -0.261 25436 7209 1 13 . 1 1 17 17 ARG N N 17 123.335 123.335 119.649 3.686 25436 7210 1 13 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.158 0.427 25436 7211 1 13 . 1 1 17 17 ARG C C 17 174.490 174.490 174.346 0.144 25436 7212 1 13 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.435 -0.071 25436 7213 1 13 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.772 -0.914 25436 7214 1 13 . 1 1 17 17 ARG H H 17 7.400 7.400 7.382 0.018 25436 7215 1 13 . 1 1 18 18 VAL N N 18 122.241 122.241 118.283 3.958 25436 7216 1 13 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.592 0.125 25436 7217 1 13 . 1 1 18 18 VAL C C 18 174.862 174.862 174.270 0.592 25436 7218 1 13 . 1 1 18 18 VAL CA C 18 60.723 60.723 60.844 -0.121 25436 7219 1 13 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.478 -0.197 25436 7220 1 13 . 1 1 18 18 VAL H H 18 9.264 9.264 8.838 0.426 25436 7221 1 13 . 1 1 19 19 PHE N N 19 125.933 125.933 128.850 -2.917 25436 7222 1 13 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.009 0.457 25436 7223 1 13 . 1 1 19 19 PHE C C 19 171.966 171.966 173.425 -1.459 25436 7224 1 13 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.157 1.966 25436 7225 1 13 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.520 -0.575 25436 7226 1 13 . 1 1 19 19 PHE H H 19 9.162 9.162 9.123 0.039 25436 7227 1 13 . 1 1 20 20 ILE N N 20 126.425 126.425 126.716 -0.291 25436 7228 1 13 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.081 -0.212 25436 7229 1 13 . 1 1 20 20 ILE C C 20 173.048 173.048 174.144 -1.096 25436 7230 1 13 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.053 -0.723 25436 7231 1 13 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.854 0.181 25436 7232 1 13 . 1 1 20 20 ILE H H 20 7.723 7.723 8.016 -0.293 25436 7233 1 13 . 1 1 21 21 GLY N N 21 113.255 113.255 111.015 2.240 25436 7234 1 13 . 1 1 21 21 GLY C C 21 173.768 173.768 174.325 -0.557 25436 7235 1 13 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.056 0.874 25436 7236 1 13 . 1 1 21 21 GLY H H 21 8.498 8.498 8.206 0.292 25436 7237 1 13 . 1 1 22 22 ASN N N 22 116.172 116.172 115.513 0.659 25436 7238 1 13 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.288 0.141 25436 7239 1 13 . 1 1 22 22 ASN C C 22 174.204 174.204 174.613 -0.409 25436 7240 1 13 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.230 -0.712 25436 7241 1 13 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.439 0.336 25436 7242 1 13 . 1 1 22 22 ASN H H 22 7.227 7.227 8.459 -1.232 25436 7243 1 13 . 1 1 23 23 LEU N N 23 119.429 119.429 118.844 0.585 25436 7244 1 13 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.271 -0.328 25436 7245 1 13 . 1 1 23 23 LEU C C 23 176.550 176.550 175.464 1.086 25436 7246 1 13 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.785 -2.208 25436 7247 1 13 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.300 1.068 25436 7248 1 13 . 1 1 23 23 LEU H H 23 7.110 7.110 7.410 -0.300 25436 7249 1 13 . 1 1 24 24 ASN N N 24 122.292 122.292 120.465 1.827 25436 7250 1 13 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.632 0.440 25436 7251 1 13 . 1 1 24 24 ASN C C 24 175.830 175.830 175.492 0.338 25436 7252 1 13 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.583 -2.082 25436 7253 1 13 . 1 1 24 24 ASN CB C 24 35.591 35.591 39.143 -3.552 25436 7254 1 13 . 1 1 24 24 ASN H H 24 8.975 8.975 8.895 0.080 25436 7255 1 13 . 1 1 25 25 THR N N 25 118.371 118.371 117.912 0.459 25436 7256 1 13 . 1 1 25 25 THR HA H 25 4.411 4.411 4.381 0.030 25436 7257 1 13 . 1 1 25 25 THR C C 25 175.285 175.285 174.983 0.302 25436 7258 1 13 . 1 1 25 25 THR CA C 25 63.453 63.453 61.812 1.641 25436 7259 1 13 . 1 1 25 25 THR CB C 25 67.150 67.150 68.925 -1.775 25436 7260 1 13 . 1 1 25 25 THR H H 25 8.466 8.466 8.409 0.057 25436 7261 1 13 . 1 1 26 26 LEU N N 26 121.017 121.017 119.499 1.518 25436 7262 1 13 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.492 -0.285 25436 7263 1 13 . 1 1 26 26 LEU C C 26 178.243 178.243 177.175 1.068 25436 7264 1 13 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.848 0.891 25436 7265 1 13 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.044 -0.912 25436 7266 1 13 . 1 1 26 26 LEU H H 26 7.583 7.583 7.804 -0.221 25436 7267 1 13 . 1 1 27 27 VAL N N 27 115.968 115.968 114.773 1.195 25436 7268 1 13 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.200 -0.175 25436 7269 1 13 . 1 1 27 27 VAL C C 27 175.199 175.199 175.344 -0.145 25436 7270 1 13 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.638 0.571 25436 7271 1 13 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.306 0.875 25436 7272 1 13 . 1 1 27 27 VAL H H 27 6.846 6.846 7.375 -0.529 25436 7273 1 13 . 1 1 28 28 VAL N N 28 121.753 121.753 121.115 0.638 25436 7274 1 13 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.976 -0.109 25436 7275 1 13 . 1 1 28 28 VAL C C 28 174.351 174.351 174.310 0.041 25436 7276 1 13 . 1 1 28 28 VAL CA C 28 63.180 63.180 61.744 1.436 25436 7277 1 13 . 1 1 28 28 VAL CB C 28 32.045 32.045 32.783 -0.738 25436 7278 1 13 . 1 1 28 28 VAL H H 28 8.389 8.389 7.362 1.027 25436 7279 1 13 . 1 1 29 29 LYS N N 29 124.108 124.108 121.659 2.449 25436 7280 1 13 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.548 0.080 25436 7281 1 13 . 1 1 29 29 LYS C C 29 177.958 177.958 176.737 1.221 25436 7282 1 13 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.204 -0.544 25436 7283 1 13 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.139 0.317 25436 7284 1 13 . 1 1 29 29 LYS H H 29 8.929 8.929 8.067 0.862 25436 7285 1 13 . 1 1 30 30 LYS N N 30 123.352 123.352 121.880 1.472 25436 7286 1 13 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.919 -0.256 25436 7287 1 13 . 1 1 30 30 LYS C C 30 177.638 177.638 178.012 -0.374 25436 7288 1 13 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.912 1.488 25436 7289 1 13 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.185 0.471 25436 7290 1 13 . 1 1 30 30 LYS H H 30 8.994 8.994 8.714 0.280 25436 7291 1 13 . 1 1 31 31 SER N N 31 111.491 111.491 113.252 -1.761 25436 7292 1 13 . 1 1 31 31 SER HA H 31 4.175 4.175 4.374 -0.199 25436 7293 1 13 . 1 1 31 31 SER C C 31 177.616 177.616 175.140 2.476 25436 7294 1 13 . 1 1 31 31 SER CA C 31 61.402 61.402 60.669 0.733 25436 7295 1 13 . 1 1 31 31 SER CB C 31 61.541 61.541 62.656 -1.115 25436 7296 1 13 . 1 1 31 31 SER H H 31 8.686 8.686 8.328 0.358 25436 7297 1 13 . 1 1 32 32 ASP N N 32 122.114 122.114 121.788 0.326 25436 7298 1 13 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.718 -0.194 25436 7299 1 13 . 1 1 32 32 ASP C C 32 178.193 178.193 177.800 0.393 25436 7300 1 13 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.768 0.427 25436 7301 1 13 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.418 0.395 25436 7302 1 13 . 1 1 32 32 ASP H H 32 7.147 7.147 7.810 -0.663 25436 7303 1 13 . 1 1 33 33 VAL N N 33 120.064 120.064 119.602 0.462 25436 7304 1 13 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.832 -0.364 25436 7305 1 13 . 1 1 33 33 VAL C C 33 178.623 178.623 177.344 1.279 25436 7306 1 13 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.492 0.845 25436 7307 1 13 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.903 -0.607 25436 7308 1 13 . 1 1 33 33 VAL H H 33 7.939 7.939 7.859 0.081 25436 7309 1 13 . 1 1 34 34 GLU N N 34 118.713 118.713 116.273 2.440 25436 7310 1 13 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.139 -0.380 25436 7311 1 13 . 1 1 34 34 GLU C C 34 178.700 178.700 176.245 2.455 25436 7312 1 13 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.672 2.831 25436 7313 1 13 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.221 0.109 25436 7314 1 13 . 1 1 34 34 GLU H H 34 8.641 8.641 7.996 0.645 25436 7315 1 13 . 1 1 35 35 ALA N N 35 121.519 121.519 119.877 1.642 25436 7316 1 13 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.538 -0.388 25436 7317 1 13 . 1 1 35 35 ALA C C 35 180.482 180.482 178.186 2.296 25436 7318 1 13 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.901 2.641 25436 7319 1 13 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.250 -2.192 25436 7320 1 13 . 1 1 35 35 ALA H H 35 7.818 7.818 7.637 0.181 25436 7321 1 13 . 1 1 36 36 ILE N N 36 117.410 117.410 117.469 -0.059 25436 7322 1 13 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.120 -0.452 25436 7323 1 13 . 1 1 36 36 ILE C C 36 178.664 178.664 176.894 1.770 25436 7324 1 13 . 1 1 36 36 ILE CA C 36 64.790 64.790 63.546 1.244 25436 7325 1 13 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.455 0.330 25436 7326 1 13 . 1 1 36 36 ILE H H 36 7.778 7.778 7.813 -0.035 25436 7327 1 13 . 1 1 37 37 PHE N N 37 113.502 113.502 118.459 -4.957 25436 7328 1 13 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.856 -0.493 25436 7329 1 13 . 1 1 37 37 PHE C C 37 179.622 179.622 177.659 1.963 25436 7330 1 13 . 1 1 37 37 PHE CA C 37 62.703 62.703 59.348 3.355 25436 7331 1 13 . 1 1 37 37 PHE CB C 37 37.184 37.184 39.791 -2.607 25436 7332 1 13 . 1 1 37 37 PHE H H 37 8.587 8.587 8.041 0.546 25436 7333 1 13 . 1 1 38 38 SER N N 38 122.010 122.010 115.298 6.712 25436 7334 1 13 . 1 1 38 38 SER HA H 38 4.819 4.819 4.707 0.112 25436 7335 1 13 . 1 1 38 38 SER C C 38 175.438 175.438 175.436 0.002 25436 7336 1 13 . 1 1 38 38 SER CA C 38 61.462 61.462 59.649 1.813 25436 7337 1 13 . 1 1 38 38 SER CB C 38 62.737 62.737 62.887 -0.150 25436 7338 1 13 . 1 1 38 38 SER H H 38 8.827 8.827 8.649 0.178 25436 7339 1 13 . 1 1 39 39 LYS N N 39 119.345 119.345 117.561 1.784 25436 7340 1 13 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.216 -0.249 25436 7341 1 13 . 1 1 39 39 LYS C C 39 177.063 177.063 176.443 0.620 25436 7342 1 13 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.487 0.772 25436 7343 1 13 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.844 -0.282 25436 7344 1 13 . 1 1 39 39 LYS H H 39 7.057 7.057 8.069 -1.012 25436 7345 1 13 . 1 1 40 40 TYR N N 40 114.420 114.420 119.212 -4.792 25436 7346 1 13 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.569 -0.288 25436 7347 1 13 . 1 1 40 40 TYR C C 40 174.841 174.841 174.371 0.470 25436 7348 1 13 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.870 0.986 25436 7349 1 13 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.370 -2.009 25436 7350 1 13 . 1 1 40 40 TYR H H 40 6.956 6.956 7.591 -0.635 25436 7351 1 13 . 1 1 41 41 GLY N N 41 106.506 106.506 105.150 1.356 25436 7352 1 13 . 1 1 41 41 GLY C C 41 170.572 170.572 172.071 -1.499 25436 7353 1 13 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.294 -0.723 25436 7354 1 13 . 1 1 41 41 GLY H H 41 7.430 7.430 7.400 0.030 25436 7355 1 13 . 1 1 42 42 LYS N N 42 117.771 117.771 121.152 -3.381 25436 7356 1 13 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.583 -0.382 25436 7357 1 13 . 1 1 42 42 LYS C C 42 176.535 176.535 176.291 0.244 25436 7358 1 13 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.606 2.526 25436 7359 1 13 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.761 0.195 25436 7360 1 13 . 1 1 42 42 LYS H H 42 8.037 8.037 8.252 -0.215 25436 7361 1 13 . 1 1 43 43 ILE N N 43 127.134 127.134 127.251 -0.117 25436 7362 1 13 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.458 -0.432 25436 7363 1 13 . 1 1 43 43 ILE C C 43 176.992 176.992 176.252 0.740 25436 7364 1 13 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.885 -0.489 25436 7365 1 13 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.703 0.164 25436 7366 1 13 . 1 1 43 43 ILE H H 43 8.720 8.720 8.594 0.126 25436 7367 1 13 . 1 1 44 44 VAL N N 44 121.988 121.988 120.620 1.368 25436 7368 1 13 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.583 -0.215 25436 7369 1 13 . 1 1 44 44 VAL C C 44 176.854 176.854 174.932 1.922 25436 7370 1 13 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.743 1.142 25436 7371 1 13 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.819 -0.347 25436 7372 1 13 . 1 1 44 44 VAL H H 44 8.707 8.707 9.080 -0.373 25436 7373 1 13 . 1 1 45 45 GLY N N 45 109.497 109.497 107.653 1.844 25436 7374 1 13 . 1 1 45 45 GLY C C 45 171.265 171.265 171.818 -0.553 25436 7375 1 13 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.795 -0.778 25436 7376 1 13 . 1 1 45 45 GLY H H 45 7.541 7.541 7.491 0.050 25436 7377 1 13 . 1 1 46 46 CYS N N 46 124.565 124.565 121.492 3.073 25436 7378 1 13 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.202 -0.191 25436 7379 1 13 . 1 1 46 46 CYS C C 46 172.072 172.072 172.438 -0.366 25436 7380 1 13 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.136 0.848 25436 7381 1 13 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.273 -1.944 25436 7382 1 13 . 1 1 46 46 CYS H H 46 8.983 8.983 8.662 0.321 25436 7383 1 13 . 1 1 47 47 SER N N 47 122.911 122.911 119.197 3.714 25436 7384 1 13 . 1 1 47 47 SER HA H 47 4.906 4.906 4.794 0.112 25436 7385 1 13 . 1 1 47 47 SER C C 47 171.848 171.848 172.018 -0.170 25436 7386 1 13 . 1 1 47 47 SER CA C 47 56.487 56.487 57.767 -1.280 25436 7387 1 13 . 1 1 47 47 SER CB C 47 65.679 65.679 66.130 -0.451 25436 7388 1 13 . 1 1 47 47 SER H H 47 8.568 8.568 9.092 -0.524 25436 7389 1 13 . 1 1 48 48 VAL N N 48 121.488 121.488 121.859 -0.371 25436 7390 1 13 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.026 0.116 25436 7391 1 13 . 1 1 48 48 VAL C C 48 173.990 173.990 173.571 0.419 25436 7392 1 13 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.453 1.794 25436 7393 1 13 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.037 -1.170 25436 7394 1 13 . 1 1 48 48 VAL H H 48 8.588 8.588 8.106 0.482 25436 7395 1 13 . 1 1 49 49 HIS N N 49 130.227 130.227 125.034 5.193 25436 7396 1 13 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.709 -0.300 25436 7397 1 13 . 1 1 49 49 HIS C C 49 173.949 173.949 173.794 0.155 25436 7398 1 13 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.308 0.358 25436 7399 1 13 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.522 -0.404 25436 7400 1 13 . 1 1 49 49 HIS H H 49 8.380 8.380 8.486 -0.106 25436 7401 1 13 . 1 1 50 50 LYS N N 50 121.171 121.171 120.261 0.910 25436 7402 1 13 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.114 0.320 25436 7403 1 13 . 1 1 50 50 LYS C C 50 175.527 175.527 177.865 -2.338 25436 7404 1 13 . 1 1 50 50 LYS CA C 50 55.918 55.918 55.889 0.029 25436 7405 1 13 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.214 -1.793 25436 7406 1 13 . 1 1 50 50 LYS H H 50 7.717 7.717 8.098 -0.381 25436 7407 1 13 . 1 1 51 51 GLY N N 51 113.993 113.993 112.433 1.560 25436 7408 1 13 . 1 1 51 51 GLY C C 51 174.252 174.252 172.786 1.466 25436 7409 1 13 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.520 -1.113 25436 7410 1 13 . 1 1 51 51 GLY H H 51 9.404 9.404 8.811 0.593 25436 7411 1 13 . 1 1 52 52 PHE N N 52 112.326 112.326 114.310 -1.984 25436 7412 1 13 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.569 -0.277 25436 7413 1 13 . 1 1 52 52 PHE C C 52 171.605 171.605 172.953 -1.348 25436 7414 1 13 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.518 0.736 25436 7415 1 13 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.293 -0.252 25436 7416 1 13 . 1 1 52 52 PHE H H 52 7.006 7.006 7.157 -0.151 25436 7417 1 13 . 1 1 53 53 ALA N N 53 119.722 119.722 119.173 0.549 25436 7418 1 13 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.860 -0.052 25436 7419 1 13 . 1 1 53 53 ALA C C 53 173.029 173.029 174.579 -1.550 25436 7420 1 13 . 1 1 53 53 ALA CA C 53 50.296 50.296 50.996 -0.700 25436 7421 1 13 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.487 2.312 25436 7422 1 13 . 1 1 53 53 ALA H H 53 8.677 8.677 8.670 0.007 25436 7423 1 13 . 1 1 54 54 PHE N N 54 112.104 112.104 115.985 -3.881 25436 7424 1 13 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.661 -0.081 25436 7425 1 13 . 1 1 54 54 PHE C C 54 175.794 175.794 174.195 1.599 25436 7426 1 13 . 1 1 54 54 PHE CA C 54 56.714 56.714 57.123 -0.409 25436 7427 1 13 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.645 -0.359 25436 7428 1 13 . 1 1 54 54 PHE H H 54 8.797 8.797 8.830 -0.033 25436 7429 1 13 . 1 1 55 55 VAL N N 55 118.542 118.542 120.750 -2.208 25436 7430 1 13 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.415 -0.202 25436 7431 1 13 . 1 1 55 55 VAL C C 55 172.806 172.806 173.645 -0.839 25436 7432 1 13 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.202 0.726 25436 7433 1 13 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.970 -1.050 25436 7434 1 13 . 1 1 55 55 VAL H H 55 8.295 8.295 8.657 -0.362 25436 7435 1 13 . 1 1 56 56 GLN N N 56 128.473 128.473 124.649 3.824 25436 7436 1 13 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.728 -0.158 25436 7437 1 13 . 1 1 56 56 GLN C C 56 173.893 173.893 174.350 -0.457 25436 7438 1 13 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.951 0.313 25436 7439 1 13 . 1 1 56 56 GLN CB C 56 32.070 32.070 31.048 1.022 25436 7440 1 13 . 1 1 56 56 GLN H H 56 9.263 9.263 8.915 0.348 25436 7441 1 13 . 1 1 57 57 TYR N N 57 127.679 127.679 125.569 2.110 25436 7442 1 13 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.311 -0.024 25436 7443 1 13 . 1 1 57 57 TYR C C 57 175.609 175.609 176.584 -0.975 25436 7444 1 13 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.217 1.451 25436 7445 1 13 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.237 -0.203 25436 7446 1 13 . 1 1 57 57 TYR H H 57 8.928 8.928 8.907 0.021 25436 7447 1 13 . 1 1 58 58 VAL N N 58 116.710 116.710 118.920 -2.210 25436 7448 1 13 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.945 0.170 25436 7449 1 13 . 1 1 58 58 VAL C C 58 175.859 175.859 175.343 0.516 25436 7450 1 13 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.316 -0.258 25436 7451 1 13 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.361 0.652 25436 7452 1 13 . 1 1 58 58 VAL H H 58 9.479 9.479 8.783 0.696 25436 7453 1 13 . 1 1 59 59 ASN N N 59 112.455 112.455 112.252 0.203 25436 7454 1 13 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.837 0.322 25436 7455 1 13 . 1 1 59 59 ASN C C 59 174.482 174.482 175.250 -0.768 25436 7456 1 13 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.517 0.425 25436 7457 1 13 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.044 2.147 25436 7458 1 13 . 1 1 59 59 ASN H H 59 7.218 7.218 7.558 -0.340 25436 7459 1 13 . 1 1 60 60 GLU N N 60 124.337 124.337 120.534 3.803 25436 7460 1 13 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.237 0.082 25436 7461 1 13 . 1 1 60 60 GLU C C 60 178.201 178.201 177.589 0.612 25436 7462 1 13 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.562 -0.822 25436 7463 1 13 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.864 0.493 25436 7464 1 13 . 1 1 60 60 GLU H H 60 8.808 8.808 8.958 -0.150 25436 7465 1 13 . 1 1 61 61 ARG N N 61 118.265 118.265 120.021 -1.756 25436 7466 1 13 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.044 -0.047 25436 7467 1 13 . 1 1 61 61 ARG C C 61 179.340 179.340 178.440 0.900 25436 7468 1 13 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.596 0.883 25436 7469 1 13 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.277 0.077 25436 7470 1 13 . 1 1 61 61 ARG H H 61 8.630 8.630 8.482 0.148 25436 7471 1 13 . 1 1 62 62 ASN N N 62 118.081 118.081 117.788 0.293 25436 7472 1 13 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.293 -0.012 25436 7473 1 13 . 1 1 62 62 ASN C C 62 174.851 174.851 176.747 -1.896 25436 7474 1 13 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.288 0.164 25436 7475 1 13 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.347 0.671 25436 7476 1 13 . 1 1 62 62 ASN H H 62 7.785 7.785 9.037 -1.252 25436 7477 1 13 . 1 1 63 63 ALA N N 63 119.543 119.543 123.295 -3.752 25436 7478 1 13 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.447 -0.691 25436 7479 1 13 . 1 1 63 63 ALA C C 63 178.861 178.861 179.531 -0.670 25436 7480 1 13 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.132 -0.171 25436 7481 1 13 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.750 -0.210 25436 7482 1 13 . 1 1 63 63 ALA H H 63 6.779 6.779 7.410 -0.631 25436 7483 1 13 . 1 1 64 64 ARG N N 64 114.965 114.965 117.299 -2.334 25436 7484 1 13 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.084 -0.242 25436 7485 1 13 . 1 1 64 64 ARG C C 64 179.775 179.775 178.549 1.226 25436 7486 1 13 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.341 2.849 25436 7487 1 13 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.365 -0.052 25436 7488 1 13 . 1 1 64 64 ARG H H 64 8.755 8.755 8.386 0.369 25436 7489 1 13 . 1 1 65 65 ALA N N 65 123.704 123.704 121.842 1.862 25436 7490 1 13 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.167 -0.037 25436 7491 1 13 . 1 1 65 65 ALA C C 65 179.560 179.560 178.507 1.053 25436 7492 1 13 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.868 0.111 25436 7493 1 13 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.300 -0.408 25436 7494 1 13 . 1 1 65 65 ALA H H 65 7.823 7.823 7.537 0.286 25436 7495 1 13 . 1 1 66 66 ALA N N 66 123.797 123.797 118.913 4.884 25436 7496 1 13 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.488 -1.412 25436 7497 1 13 . 1 1 66 66 ALA C C 66 179.259 179.259 179.299 -0.040 25436 7498 1 13 . 1 1 66 66 ALA CA C 66 54.288 54.288 53.978 0.310 25436 7499 1 13 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.202 0.073 25436 7500 1 13 . 1 1 66 66 ALA H H 66 7.545 7.545 7.484 0.061 25436 7501 1 13 . 1 1 67 67 VAL N N 67 116.549 116.549 117.983 -1.434 25436 7502 1 13 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.799 -0.445 25436 7503 1 13 . 1 1 67 67 VAL C C 67 177.744 177.744 176.427 1.317 25436 7504 1 13 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.013 0.520 25436 7505 1 13 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.660 0.309 25436 7506 1 13 . 1 1 67 67 VAL H H 67 7.619 7.619 8.491 -0.872 25436 7507 1 13 . 1 1 68 68 ALA N N 68 118.193 118.193 119.394 -1.201 25436 7508 1 13 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.463 -0.336 25436 7509 1 13 . 1 1 68 68 ALA C C 68 180.748 180.748 177.973 2.775 25436 7510 1 13 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.798 1.563 25436 7511 1 13 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.314 -1.187 25436 7512 1 13 . 1 1 68 68 ALA H H 68 7.550 7.550 7.419 0.131 25436 7513 1 13 . 1 1 69 69 GLY N N 69 103.773 103.773 106.681 -2.908 25436 7514 1 13 . 1 1 69 69 GLY C C 69 175.626 175.626 175.440 0.186 25436 7515 1 13 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.545 0.581 25436 7516 1 13 . 1 1 69 69 GLY H H 69 8.140 8.140 7.467 0.673 25436 7517 1 13 . 1 1 70 70 GLU N N 70 114.547 114.547 118.086 -3.539 25436 7518 1 13 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.373 0.263 25436 7519 1 13 . 1 1 70 70 GLU C C 70 176.391 176.391 175.252 1.139 25436 7520 1 13 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.428 -0.269 25436 7521 1 13 . 1 1 70 70 GLU CB C 70 31.265 31.265 30.931 0.334 25436 7522 1 13 . 1 1 70 70 GLU H H 70 7.654 7.654 7.822 -0.168 25436 7523 1 13 . 1 1 71 71 ASP N N 71 118.202 118.202 120.333 -2.131 25436 7524 1 13 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.302 -0.015 25436 7525 1 13 . 1 1 71 71 ASP C C 71 178.698 178.698 177.750 0.948 25436 7526 1 13 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.059 1.472 25436 7527 1 13 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.956 0.415 25436 7528 1 13 . 1 1 71 71 ASP H H 71 8.020 8.020 7.512 0.508 25436 7529 1 13 . 1 1 72 72 GLY N N 72 114.301 114.301 114.540 -0.239 25436 7530 1 13 . 1 1 72 72 GLY C C 72 173.791 173.791 173.605 0.186 25436 7531 1 13 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.197 0.562 25436 7532 1 13 . 1 1 72 72 GLY H H 72 8.305 8.305 8.426 -0.121 25436 7533 1 13 . 1 1 73 73 ARG N N 73 121.994 121.994 118.402 3.592 25436 7534 1 13 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.546 -0.351 25436 7535 1 13 . 1 1 73 73 ARG C C 73 175.187 175.187 174.886 0.301 25436 7536 1 13 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.724 1.778 25436 7537 1 13 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.849 -0.597 25436 7538 1 13 . 1 1 73 73 ARG H H 73 7.980 7.980 7.736 0.244 25436 7539 1 13 . 1 1 74 74 MET N N 74 125.081 125.081 121.992 3.089 25436 7540 1 13 . 1 1 74 74 MET HA H 74 4.823 4.823 5.117 -0.294 25436 7541 1 13 . 1 1 74 74 MET C C 74 175.726 175.726 175.147 0.579 25436 7542 1 13 . 1 1 74 74 MET CA C 74 55.029 55.029 55.223 -0.194 25436 7543 1 13 . 1 1 74 74 MET CB C 74 33.092 33.092 34.544 -1.452 25436 7544 1 13 . 1 1 74 74 MET H H 74 8.712 8.712 8.414 0.298 25436 7545 1 13 . 1 1 75 75 ILE N N 75 127.490 127.490 125.622 1.868 25436 7546 1 13 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.478 -0.096 25436 7547 1 13 . 1 1 75 75 ILE C C 75 175.276 175.276 175.516 -0.240 25436 7548 1 13 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.854 -1.050 25436 7549 1 13 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.125 -0.729 25436 7550 1 13 . 1 1 75 75 ILE H H 75 8.589 8.589 8.950 -0.361 25436 7551 1 13 . 1 1 76 76 ALA N N 76 132.147 132.147 127.702 4.445 25436 7552 1 13 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.039 -0.001 25436 7553 1 13 . 1 1 76 76 ALA C C 76 177.205 177.205 177.715 -0.510 25436 7554 1 13 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.072 -1.138 25436 7555 1 13 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.008 0.140 25436 7556 1 13 . 1 1 76 76 ALA H H 76 9.547 9.547 8.965 0.582 25436 7557 1 13 . 1 1 77 77 GLY N N 77 101.695 101.695 101.810 -0.115 25436 7558 1 13 . 1 1 77 77 GLY C C 77 174.205 174.205 174.149 0.056 25436 7559 1 13 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.935 0.828 25436 7560 1 13 . 1 1 77 77 GLY H H 77 8.445 8.445 8.332 0.113 25436 7561 1 13 . 1 1 78 78 GLN N N 78 119.020 119.020 118.640 0.380 25436 7562 1 13 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.719 0.010 25436 7563 1 13 . 1 1 78 78 GLN C C 78 174.046 174.046 174.216 -0.170 25436 7564 1 13 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.161 0.034 25436 7565 1 13 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.963 -1.074 25436 7566 1 13 . 1 1 78 78 GLN H H 78 7.720 7.720 7.896 -0.176 25436 7567 1 13 . 1 1 79 79 VAL N N 79 123.374 123.374 121.382 1.992 25436 7568 1 13 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.954 -0.942 25436 7569 1 13 . 1 1 79 79 VAL C C 79 176.347 176.347 175.634 0.713 25436 7570 1 13 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.219 1.436 25436 7571 1 13 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.067 -0.983 25436 7572 1 13 . 1 1 79 79 VAL H H 79 8.532 8.532 8.392 0.140 25436 7573 1 13 . 1 1 80 80 LEU N N 80 128.569 128.569 122.343 6.226 25436 7574 1 13 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.917 -0.630 25436 7575 1 13 . 1 1 80 80 LEU C C 80 176.521 176.521 175.271 1.250 25436 7576 1 13 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.146 3.917 25436 7577 1 13 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.171 -0.350 25436 7578 1 13 . 1 1 80 80 LEU H H 80 9.014 9.014 8.183 0.831 25436 7579 1 13 . 1 1 81 81 ASP N N 81 124.359 124.359 122.639 1.720 25436 7580 1 13 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.101 0.124 25436 7581 1 13 . 1 1 81 81 ASP C C 81 174.659 174.659 175.361 -0.702 25436 7582 1 13 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.766 0.189 25436 7583 1 13 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.377 1.295 25436 7584 1 13 . 1 1 81 81 ASP H H 81 7.850 7.850 8.504 -0.654 25436 7585 1 13 . 1 1 82 82 ILE N N 82 123.155 123.155 126.448 -3.293 25436 7586 1 13 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.831 0.571 25436 7587 1 13 . 1 1 82 82 ILE C C 82 174.520 174.520 175.299 -0.779 25436 7588 1 13 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.324 -1.092 25436 7589 1 13 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.423 1.540 25436 7590 1 13 . 1 1 82 82 ILE H H 82 9.086 9.086 8.400 0.686 25436 7591 1 13 . 1 1 83 83 ASN N N 83 116.417 116.417 122.514 -6.097 25436 7592 1 13 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.932 -0.085 25436 7593 1 13 . 1 1 83 83 ASN C C 83 174.565 174.565 173.618 0.947 25436 7594 1 13 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.123 0.925 25436 7595 1 13 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.261 0.849 25436 7596 1 13 . 1 1 83 83 ASN H H 83 8.495 8.495 8.495 0.000 25436 7597 1 13 . 1 1 84 84 LEU N N 84 123.786 123.786 122.547 1.239 25436 7598 1 13 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.396 0.326 25436 7599 1 13 . 1 1 84 84 LEU C C 84 180.968 180.968 178.397 2.571 25436 7600 1 13 . 1 1 84 84 LEU CA C 84 56.300 56.300 55.989 0.311 25436 7601 1 13 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.698 -1.382 25436 7602 1 13 . 1 1 84 84 LEU H H 84 9.427 9.427 8.847 0.580 25436 7603 1 13 . 1 1 85 85 ALA N N 85 127.571 127.571 127.366 0.205 25436 7604 1 13 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.374 -0.326 25436 7605 1 13 . 1 1 85 85 ALA C C 85 177.931 177.931 176.663 1.268 25436 7606 1 13 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.021 2.275 25436 7607 1 13 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.088 -1.135 25436 7608 1 13 . 1 1 85 85 ALA H H 85 9.295 9.295 8.713 0.582 25436 7609 1 13 . 1 1 86 86 ALA N N 86 115.985 115.985 118.575 -2.590 25436 7610 1 13 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.428 -0.017 25436 7611 1 13 . 1 1 86 86 ALA C C 86 176.152 176.152 176.726 -0.574 25436 7612 1 13 . 1 1 86 86 ALA CA C 86 51.772 51.772 52.000 -0.228 25436 7613 1 13 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.220 0.105 25436 7614 1 13 . 1 1 86 86 ALA H H 86 8.657 8.657 8.131 0.526 25436 7615 1 13 . 1 1 87 87 GLU N N 87 118.975 118.975 119.483 -0.508 25436 7616 1 13 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.627 0.108 25436 7617 1 13 . 1 1 87 87 GLU C C 87 171.676 171.676 173.967 -2.291 25436 7618 1 13 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.356 -0.208 25436 7619 1 13 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.087 -0.171 25436 7620 1 13 . 1 1 87 87 GLU H H 87 7.913 7.913 7.789 0.124 25436 7621 1 13 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.488 -0.141 25436 7622 1 13 . 1 1 88 88 PRO C C 88 177.303 177.303 176.739 0.564 25436 7623 1 13 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.369 -0.491 25436 7624 1 13 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.361 -0.459 25436 7625 1 13 . 1 1 89 89 LYS N N 89 121.335 121.335 121.442 -0.107 25436 7626 1 13 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.433 -0.193 25436 7627 1 13 . 1 1 89 89 LYS C C 89 177.689 177.689 175.626 2.063 25436 7628 1 13 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.453 0.298 25436 7629 1 13 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.263 0.173 25436 7630 1 13 . 1 1 89 89 LYS H H 89 8.020 8.020 8.605 -0.585 25436 7631 1 13 . 1 1 90 90 VAL N N 90 120.786 120.786 119.953 0.833 25436 7632 1 13 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.181 -0.259 25436 7633 1 13 . 1 1 90 90 VAL C C 90 176.169 176.169 176.167 0.002 25436 7634 1 13 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.211 2.087 25436 7635 1 13 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.696 -1.429 25436 7636 1 13 . 1 1 90 90 VAL H H 90 8.232 8.232 7.732 0.500 25436 7637 1 13 . 1 1 91 91 ASN N N 91 119.214 119.214 120.530 -1.316 25436 7638 1 13 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.677 -0.018 25436 7639 1 13 . 1 1 91 91 ASN C C 91 175.172 175.172 175.383 -0.211 25436 7640 1 13 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.514 -0.486 25436 7641 1 13 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.640 -0.471 25436 7642 1 13 . 1 1 91 91 ASN H H 91 8.453 8.453 8.641 -0.188 25436 7643 1 13 . 1 1 92 92 ARG N N 92 120.709 120.709 116.893 3.816 25436 7644 1 13 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.031 0.223 25436 7645 1 13 . 1 1 92 92 ARG C C 92 176.991 176.991 176.426 0.565 25436 7646 1 13 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.649 -0.149 25436 7647 1 13 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.237 2.370 25436 7648 1 13 . 1 1 92 92 ARG H H 92 7.925 7.925 8.334 -0.409 25436 7649 1 13 . 1 1 93 93 GLY N N 93 110.299 110.299 105.242 5.057 25436 7650 1 13 . 1 1 93 93 GLY C C 93 174.245 174.245 174.305 -0.060 25436 7651 1 13 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.898 0.518 25436 7652 1 13 . 1 1 93 93 GLY H H 93 8.593 8.593 8.656 -0.063 25436 7653 1 13 . 1 1 94 94 LYS N N 94 120.781 120.781 115.963 4.818 25436 7654 1 13 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.976 0.318 25436 7655 1 13 . 1 1 94 94 LYS C C 94 176.524 176.524 174.831 1.693 25436 7656 1 13 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.501 -1.394 25436 7657 1 13 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.710 1.430 25436 7658 1 13 . 1 1 94 94 LYS H H 94 8.126 8.126 8.089 0.037 25436 7659 1 13 . 1 1 95 95 ALA N N 95 125.012 125.012 118.192 6.820 25436 7660 1 13 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.810 -0.511 25436 7661 1 13 . 1 1 95 95 ALA C C 95 178.324 178.324 177.923 0.401 25436 7662 1 13 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.258 1.544 25436 7663 1 13 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.692 -1.514 25436 7664 1 13 . 1 1 95 95 ALA H H 95 8.435 8.435 7.305 1.130 25436 7665 1 13 . 1 1 96 96 GLY N N 96 108.312 108.312 107.422 0.890 25436 7666 1 13 . 1 1 96 96 GLY C C 96 174.095 174.095 174.964 -0.869 25436 7667 1 13 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.318 -1.036 25436 7668 1 13 . 1 1 96 96 GLY H H 96 8.414 8.414 8.985 -0.571 25436 7669 1 13 . 1 1 97 97 VAL N N 97 119.818 119.818 118.902 0.916 25436 7670 1 13 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.984 0.088 25436 7671 1 13 . 1 1 97 97 VAL C C 97 176.155 176.155 176.429 -0.274 25436 7672 1 13 . 1 1 97 97 VAL CA C 97 62.344 62.344 62.839 -0.495 25436 7673 1 13 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.862 0.895 25436 7674 1 13 . 1 1 97 97 VAL H H 97 7.919 7.919 7.683 0.236 25436 7675 1 13 . 1 1 98 98 LYS N N 98 125.912 125.912 120.056 5.856 25436 7676 1 13 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.225 0.108 25436 7677 1 13 . 1 1 98 98 LYS C C 98 176.426 176.426 175.751 0.675 25436 7678 1 13 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.706 0.463 25436 7679 1 13 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.939 0.109 25436 7680 1 13 . 1 1 98 98 LYS H H 98 8.466 8.466 7.494 0.972 25436 7681 1 13 . 1 1 99 99 ARG N N 99 123.544 123.544 120.840 2.704 25436 7682 1 13 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.570 -0.201 25436 7683 1 13 . 1 1 99 99 ARG C C 99 176.230 176.230 175.388 0.842 25436 7684 1 13 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.062 0.932 25436 7685 1 13 . 1 1 99 99 ARG CB C 99 31.164 31.164 32.568 -1.404 25436 7686 1 13 . 1 1 99 99 ARG H H 99 8.468 8.468 8.463 0.005 25436 7687 1 13 . 1 1 100 100 SER N N 100 117.781 117.781 115.447 2.334 25436 7688 1 13 . 1 1 100 100 SER HA H 100 4.452 4.452 4.454 -0.002 25436 7689 1 13 . 1 1 100 100 SER C C 100 174.555 174.555 176.356 -1.801 25436 7690 1 13 . 1 1 100 100 SER CA C 100 58.036 58.036 57.284 0.752 25436 7691 1 13 . 1 1 100 100 SER CB C 100 64.139 64.139 64.289 -0.150 25436 7692 1 13 . 1 1 100 100 SER H H 100 8.507 8.507 8.368 0.139 25436 7693 1 13 . 1 1 101 101 ALA N N 101 126.090 126.090 129.224 -3.134 25436 7694 1 13 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.206 0.064 25436 7695 1 13 . 1 1 101 101 ALA C C 101 178.046 178.046 177.130 0.916 25436 7696 1 13 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.039 -0.769 25436 7697 1 13 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.464 0.568 25436 7698 1 13 . 1 1 101 101 ALA H H 101 8.529 8.529 9.149 -0.620 25436 7699 1 13 . 1 1 102 102 ALA N N 102 121.750 121.750 118.969 2.781 25436 7700 1 13 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.557 -0.330 25436 7701 1 13 . 1 1 102 102 ALA C C 102 178.253 178.253 177.776 0.477 25436 7702 1 13 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.540 0.455 25436 7703 1 13 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.156 -1.078 25436 7704 1 13 . 1 1 102 102 ALA H H 102 8.219 8.219 7.565 0.654 25436 7705 1 13 . 1 1 103 103 GLU N N 103 118.819 118.819 117.926 0.893 25436 7706 1 13 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.561 -0.359 25436 7707 1 13 . 1 1 103 103 GLU C C 103 176.515 176.515 177.496 -0.981 25436 7708 1 13 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.894 0.775 25436 7709 1 13 . 1 1 103 103 GLU CB C 103 30.162 30.162 29.778 0.384 25436 7710 1 13 . 1 1 103 103 GLU H H 103 8.100 8.100 8.169 -0.069 25436 7711 1 13 . 1 1 104 104 MET N N 104 120.178 120.178 118.030 2.148 25436 7712 1 13 . 1 1 104 104 MET HA H 104 4.332 4.332 4.131 0.201 25436 7713 1 13 . 1 1 104 104 MET C C 104 175.861 175.861 176.641 -0.780 25436 7714 1 13 . 1 1 104 104 MET CA C 104 55.869 55.869 58.600 -2.731 25436 7715 1 13 . 1 1 104 104 MET CB C 104 32.993 32.993 32.911 0.082 25436 7716 1 13 . 1 1 104 104 MET H H 104 8.086 8.086 7.805 0.281 25436 7717 1 13 . 1 1 105 105 TYR N N 105 120.369 120.369 115.388 4.981 25436 7718 1 13 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.617 0.035 25436 7719 1 13 . 1 1 105 105 TYR C C 105 175.318 175.318 176.900 -1.582 25436 7720 1 13 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.480 0.105 25436 7721 1 13 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.407 0.484 25436 7722 1 13 . 1 1 105 105 TYR H H 105 8.137 8.137 7.847 0.290 25436 7723 1 14 . 1 1 3 3 SER HA H 3 4.564 4.564 4.373 0.191 25436 7724 1 14 . 1 1 3 3 SER C C 3 173.407 173.407 174.547 -1.140 25436 7725 1 14 . 1 1 3 3 SER CA C 3 58.309 58.309 58.237 0.072 25436 7726 1 14 . 1 1 3 3 SER CB C 3 63.980 63.980 63.712 0.268 25436 7727 1 14 . 1 1 4 4 ASN N N 4 120.204 120.204 118.687 1.517 25436 7728 1 14 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.130 0.087 25436 7729 1 14 . 1 1 4 4 ASN C C 4 176.242 176.242 174.051 2.191 25436 7730 1 14 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.460 0.575 25436 7731 1 14 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.975 -0.260 25436 7732 1 14 . 1 1 4 4 ASN H H 4 8.783 8.783 8.625 0.158 25436 7733 1 14 . 1 1 5 5 VAL N N 5 122.598 122.598 120.098 2.500 25436 7734 1 14 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.277 -0.507 25436 7735 1 14 . 1 1 5 5 VAL C C 5 177.222 177.222 175.361 1.861 25436 7736 1 14 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.444 4.362 25436 7737 1 14 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.741 -2.886 25436 7738 1 14 . 1 1 5 5 VAL H H 5 8.326 8.326 7.612 0.714 25436 7739 1 14 . 1 1 6 6 THR N N 6 118.450 118.450 116.041 2.409 25436 7740 1 14 . 1 1 6 6 THR HA H 6 4.682 4.682 4.563 0.119 25436 7741 1 14 . 1 1 6 6 THR C C 6 174.349 174.349 173.066 1.283 25436 7742 1 14 . 1 1 6 6 THR CA C 6 60.542 60.542 61.323 -0.781 25436 7743 1 14 . 1 1 6 6 THR CB C 6 69.771 69.771 69.392 0.379 25436 7744 1 14 . 1 1 6 6 THR H H 6 9.391 9.391 8.513 0.878 25436 7745 1 14 . 1 1 7 7 ASN N N 7 120.847 120.847 117.694 3.153 25436 7746 1 14 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.526 0.029 25436 7747 1 14 . 1 1 7 7 ASN C C 7 176.863 176.863 175.762 1.101 25436 7748 1 14 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.599 -0.690 25436 7749 1 14 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.882 0.177 25436 7750 1 14 . 1 1 7 7 ASN H H 7 7.970 7.970 7.864 0.106 25436 7751 1 14 . 1 1 8 8 LYS N N 8 121.736 121.736 121.849 -0.113 25436 7752 1 14 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.225 0.029 25436 7753 1 14 . 1 1 8 8 LYS C C 8 180.141 180.141 177.643 2.498 25436 7754 1 14 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.564 1.657 25436 7755 1 14 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.796 -0.506 25436 7756 1 14 . 1 1 8 8 LYS H H 8 8.577 8.577 8.298 0.279 25436 7757 1 14 . 1 1 9 9 THR N N 9 110.800 110.800 111.501 -0.701 25436 7758 1 14 . 1 1 9 9 THR HA H 9 4.467 4.467 4.400 0.067 25436 7759 1 14 . 1 1 9 9 THR C C 9 174.484 174.484 173.745 0.739 25436 7760 1 14 . 1 1 9 9 THR CA C 9 61.242 61.242 61.216 0.026 25436 7761 1 14 . 1 1 9 9 THR CB C 9 69.009 69.009 69.235 -0.226 25436 7762 1 14 . 1 1 9 9 THR H H 9 8.695 8.695 8.248 0.447 25436 7763 1 14 . 1 1 10 10 ASP N N 10 120.937 120.937 123.925 -2.988 25436 7764 1 14 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.754 0.069 25436 7765 1 14 . 1 1 10 10 ASP C C 10 173.945 173.945 176.774 -2.829 25436 7766 1 14 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.495 -1.009 25436 7767 1 14 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.461 -1.911 25436 7768 1 14 . 1 1 10 10 ASP H H 10 7.908 7.908 7.942 -0.034 25436 7769 1 14 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.397 -0.247 25436 7770 1 14 . 1 1 11 11 PRO C C 11 178.420 178.420 176.512 1.908 25436 7771 1 14 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.771 1.442 25436 7772 1 14 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.020 0.135 25436 7773 1 14 . 1 1 12 12 ARG N N 12 116.349 116.349 115.642 0.707 25436 7774 1 14 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.748 -0.653 25436 7775 1 14 . 1 1 12 12 ARG C C 12 180.445 180.445 177.530 2.915 25436 7776 1 14 . 1 1 12 12 ARG CA C 12 59.571 59.571 57.237 2.334 25436 7777 1 14 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.213 -0.978 25436 7778 1 14 . 1 1 12 12 ARG H H 12 7.944 7.944 8.080 -0.136 25436 7779 1 14 . 1 1 13 13 SER N N 13 119.401 119.401 116.677 2.724 25436 7780 1 14 . 1 1 13 13 SER HA H 13 4.053 4.053 4.478 -0.425 25436 7781 1 14 . 1 1 13 13 SER C C 13 175.325 175.325 175.332 -0.007 25436 7782 1 14 . 1 1 13 13 SER CA C 13 61.500 61.500 61.179 0.321 25436 7783 1 14 . 1 1 13 13 SER CB C 13 61.798 61.798 62.905 -1.107 25436 7784 1 14 . 1 1 13 13 SER H H 13 8.152 8.152 8.077 0.075 25436 7785 1 14 . 1 1 14 14 MET N N 14 120.254 120.254 116.438 3.816 25436 7786 1 14 . 1 1 14 14 MET HA H 14 4.090 4.090 4.342 -0.252 25436 7787 1 14 . 1 1 14 14 MET C C 14 178.575 178.575 175.442 3.133 25436 7788 1 14 . 1 1 14 14 MET CA C 14 58.317 58.317 56.901 1.416 25436 7789 1 14 . 1 1 14 14 MET CB C 14 31.466 31.466 32.919 -1.453 25436 7790 1 14 . 1 1 14 14 MET H H 14 8.241 8.241 7.789 0.452 25436 7791 1 14 . 1 1 15 15 ASN N N 15 115.299 115.299 112.476 2.823 25436 7792 1 14 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.921 -0.295 25436 7793 1 14 . 1 1 15 15 ASN C C 15 172.554 172.554 176.654 -4.100 25436 7794 1 14 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.088 0.972 25436 7795 1 14 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.909 -1.113 25436 7796 1 14 . 1 1 15 15 ASN H H 15 7.962 7.962 7.565 0.397 25436 7797 1 14 . 1 1 16 16 SER N N 16 106.079 106.079 116.704 -10.625 25436 7798 1 14 . 1 1 16 16 SER HA H 16 4.500 4.500 4.650 -0.150 25436 7799 1 14 . 1 1 16 16 SER C C 16 172.120 172.120 173.576 -1.456 25436 7800 1 14 . 1 1 16 16 SER CA C 16 56.814 56.814 59.415 -2.601 25436 7801 1 14 . 1 1 16 16 SER CB C 16 63.439 63.439 63.363 0.076 25436 7802 1 14 . 1 1 16 16 SER H H 16 7.249 7.249 7.939 -0.690 25436 7803 1 14 . 1 1 17 17 ARG N N 17 123.335 123.335 121.059 2.276 25436 7804 1 14 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.112 0.473 25436 7805 1 14 . 1 1 17 17 ARG C C 17 174.490 174.490 174.463 0.027 25436 7806 1 14 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.894 -0.530 25436 7807 1 14 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.814 -0.956 25436 7808 1 14 . 1 1 17 17 ARG H H 17 7.400 7.400 7.512 -0.112 25436 7809 1 14 . 1 1 18 18 VAL N N 18 122.241 122.241 122.638 -0.397 25436 7810 1 14 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.499 0.218 25436 7811 1 14 . 1 1 18 18 VAL C C 18 174.862 174.862 174.157 0.705 25436 7812 1 14 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.078 -0.355 25436 7813 1 14 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.584 0.697 25436 7814 1 14 . 1 1 18 18 VAL H H 18 9.264 9.264 8.957 0.307 25436 7815 1 14 . 1 1 19 19 PHE N N 19 125.933 125.933 129.011 -3.078 25436 7816 1 14 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.470 -0.004 25436 7817 1 14 . 1 1 19 19 PHE C C 19 171.966 171.966 173.286 -1.320 25436 7818 1 14 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.694 1.429 25436 7819 1 14 . 1 1 19 19 PHE CB C 19 40.945 40.945 42.222 -1.277 25436 7820 1 14 . 1 1 19 19 PHE H H 19 9.162 9.162 8.901 0.261 25436 7821 1 14 . 1 1 20 20 ILE N N 20 126.425 126.425 125.418 1.007 25436 7822 1 14 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.196 -0.327 25436 7823 1 14 . 1 1 20 20 ILE C C 20 173.048 173.048 173.903 -0.855 25436 7824 1 14 . 1 1 20 20 ILE CA C 20 59.330 59.330 59.891 -0.561 25436 7825 1 14 . 1 1 20 20 ILE CB C 20 39.035 39.035 39.632 -0.597 25436 7826 1 14 . 1 1 20 20 ILE H H 20 7.723 7.723 7.402 0.321 25436 7827 1 14 . 1 1 21 21 GLY N N 21 113.255 113.255 111.560 1.695 25436 7828 1 14 . 1 1 21 21 GLY C C 21 173.768 173.768 174.241 -0.473 25436 7829 1 14 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.924 1.006 25436 7830 1 14 . 1 1 21 21 GLY H H 21 8.498 8.498 8.448 0.050 25436 7831 1 14 . 1 1 22 22 ASN N N 22 116.172 116.172 116.116 0.056 25436 7832 1 14 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.296 0.133 25436 7833 1 14 . 1 1 22 22 ASN C C 22 174.204 174.204 174.594 -0.390 25436 7834 1 14 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.106 -0.588 25436 7835 1 14 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.105 0.670 25436 7836 1 14 . 1 1 22 22 ASN H H 22 7.227 7.227 8.488 -1.261 25436 7837 1 14 . 1 1 23 23 LEU N N 23 119.429 119.429 119.260 0.169 25436 7838 1 14 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.312 -0.369 25436 7839 1 14 . 1 1 23 23 LEU C C 23 176.550 176.550 177.228 -0.678 25436 7840 1 14 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.972 -2.395 25436 7841 1 14 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.161 1.207 25436 7842 1 14 . 1 1 23 23 LEU H H 23 7.110 7.110 7.417 -0.307 25436 7843 1 14 . 1 1 24 24 ASN N N 24 122.292 122.292 122.033 0.259 25436 7844 1 14 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.700 0.372 25436 7845 1 14 . 1 1 24 24 ASN C C 24 175.830 175.830 175.865 -0.035 25436 7846 1 14 . 1 1 24 24 ASN CA C 24 51.501 51.501 52.933 -1.432 25436 7847 1 14 . 1 1 24 24 ASN CB C 24 35.591 35.591 36.762 -1.171 25436 7848 1 14 . 1 1 24 24 ASN H H 24 8.975 8.975 8.824 0.151 25436 7849 1 14 . 1 1 25 25 THR N N 25 118.371 118.371 111.403 6.968 25436 7850 1 14 . 1 1 25 25 THR HA H 25 4.411 4.411 4.127 0.284 25436 7851 1 14 . 1 1 25 25 THR C C 25 175.285 175.285 175.384 -0.099 25436 7852 1 14 . 1 1 25 25 THR CA C 25 63.453 63.453 64.004 -0.551 25436 7853 1 14 . 1 1 25 25 THR CB C 25 67.150 67.150 68.303 -1.153 25436 7854 1 14 . 1 1 25 25 THR H H 25 8.466 8.466 8.053 0.413 25436 7855 1 14 . 1 1 26 26 LEU N N 26 121.017 121.017 119.411 1.606 25436 7856 1 14 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.310 -0.103 25436 7857 1 14 . 1 1 26 26 LEU C C 26 178.243 178.243 177.067 1.176 25436 7858 1 14 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.515 1.224 25436 7859 1 14 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.003 -0.871 25436 7860 1 14 . 1 1 26 26 LEU H H 26 7.583 7.583 7.870 -0.287 25436 7861 1 14 . 1 1 27 27 VAL N N 27 115.968 115.968 114.226 1.742 25436 7862 1 14 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.194 -0.169 25436 7863 1 14 . 1 1 27 27 VAL C C 27 175.199 175.199 175.154 0.045 25436 7864 1 14 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.553 0.656 25436 7865 1 14 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.246 0.936 25436 7866 1 14 . 1 1 27 27 VAL H H 27 6.846 6.846 7.734 -0.888 25436 7867 1 14 . 1 1 28 28 VAL N N 28 121.753 121.753 121.248 0.505 25436 7868 1 14 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.021 -0.154 25436 7869 1 14 . 1 1 28 28 VAL C C 28 174.351 174.351 174.389 -0.038 25436 7870 1 14 . 1 1 28 28 VAL CA C 28 63.180 63.180 61.457 1.723 25436 7871 1 14 . 1 1 28 28 VAL CB C 28 32.045 32.045 32.920 -0.875 25436 7872 1 14 . 1 1 28 28 VAL H H 28 8.389 8.389 7.627 0.762 25436 7873 1 14 . 1 1 29 29 LYS N N 29 124.108 124.108 121.033 3.075 25436 7874 1 14 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.624 0.004 25436 7875 1 14 . 1 1 29 29 LYS C C 29 177.958 177.958 176.102 1.856 25436 7876 1 14 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.074 -0.414 25436 7877 1 14 . 1 1 29 29 LYS CB C 29 34.456 34.456 33.913 0.543 25436 7878 1 14 . 1 1 29 29 LYS H H 29 8.929 8.929 7.756 1.173 25436 7879 1 14 . 1 1 30 30 LYS N N 30 123.352 123.352 121.353 1.999 25436 7880 1 14 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.917 -0.254 25436 7881 1 14 . 1 1 30 30 LYS C C 30 177.638 177.638 178.220 -0.582 25436 7882 1 14 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.875 1.525 25436 7883 1 14 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.057 0.599 25436 7884 1 14 . 1 1 30 30 LYS H H 30 8.994 8.994 8.735 0.259 25436 7885 1 14 . 1 1 31 31 SER N N 31 111.491 111.491 109.929 1.562 25436 7886 1 14 . 1 1 31 31 SER HA H 31 4.175 4.175 4.674 -0.499 25436 7887 1 14 . 1 1 31 31 SER C C 31 177.616 177.616 175.006 2.610 25436 7888 1 14 . 1 1 31 31 SER CA C 31 61.402 61.402 59.257 2.145 25436 7889 1 14 . 1 1 31 31 SER CB C 31 61.541 61.541 62.829 -1.288 25436 7890 1 14 . 1 1 31 31 SER H H 31 8.686 8.686 8.255 0.431 25436 7891 1 14 . 1 1 32 32 ASP N N 32 122.114 122.114 122.385 -0.271 25436 7892 1 14 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.760 -0.236 25436 7893 1 14 . 1 1 32 32 ASP C C 32 178.193 178.193 178.294 -0.101 25436 7894 1 14 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.267 0.928 25436 7895 1 14 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.562 0.251 25436 7896 1 14 . 1 1 32 32 ASP H H 32 7.147 7.147 7.876 -0.729 25436 7897 1 14 . 1 1 33 33 VAL N N 33 120.064 120.064 120.679 -0.615 25436 7898 1 14 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.877 -0.409 25436 7899 1 14 . 1 1 33 33 VAL C C 33 178.623 178.623 176.903 1.720 25436 7900 1 14 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.211 1.126 25436 7901 1 14 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.916 -0.620 25436 7902 1 14 . 1 1 33 33 VAL H H 33 7.939 7.939 8.038 -0.099 25436 7903 1 14 . 1 1 34 34 GLU N N 34 118.713 118.713 116.686 2.027 25436 7904 1 14 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.189 -0.430 25436 7905 1 14 . 1 1 34 34 GLU C C 34 178.700 178.700 176.587 2.113 25436 7906 1 14 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.523 2.980 25436 7907 1 14 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.275 0.055 25436 7908 1 14 . 1 1 34 34 GLU H H 34 8.641 8.641 7.913 0.728 25436 7909 1 14 . 1 1 35 35 ALA N N 35 121.519 121.519 121.105 0.414 25436 7910 1 14 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.606 -0.456 25436 7911 1 14 . 1 1 35 35 ALA C C 35 180.482 180.482 178.045 2.437 25436 7912 1 14 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.638 2.904 25436 7913 1 14 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.439 -2.382 25436 7914 1 14 . 1 1 35 35 ALA H H 35 7.818 7.818 7.653 0.165 25436 7915 1 14 . 1 1 36 36 ILE N N 36 117.410 117.410 118.035 -0.625 25436 7916 1 14 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.139 -0.471 25436 7917 1 14 . 1 1 36 36 ILE C C 36 178.664 178.664 176.367 2.297 25436 7918 1 14 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.894 1.896 25436 7919 1 14 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.407 0.378 25436 7920 1 14 . 1 1 36 36 ILE H H 36 7.778 7.778 7.589 0.189 25436 7921 1 14 . 1 1 37 37 PHE N N 37 113.502 113.502 116.693 -3.191 25436 7922 1 14 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.871 -0.508 25436 7923 1 14 . 1 1 37 37 PHE C C 37 179.622 179.622 177.353 2.269 25436 7924 1 14 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.522 4.181 25436 7925 1 14 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.457 -3.273 25436 7926 1 14 . 1 1 37 37 PHE H H 37 8.587 8.587 7.848 0.739 25436 7927 1 14 . 1 1 38 38 SER N N 38 122.010 122.010 115.666 6.344 25436 7928 1 14 . 1 1 38 38 SER HA H 38 4.819 4.819 4.711 0.108 25436 7929 1 14 . 1 1 38 38 SER C C 38 175.438 175.438 175.607 -0.169 25436 7930 1 14 . 1 1 38 38 SER CA C 38 61.462 61.462 59.378 2.084 25436 7931 1 14 . 1 1 38 38 SER CB C 38 62.737 62.737 63.184 -0.447 25436 7932 1 14 . 1 1 38 38 SER H H 38 8.827 8.827 8.676 0.151 25436 7933 1 14 . 1 1 39 39 LYS N N 39 119.345 119.345 117.940 1.405 25436 7934 1 14 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.173 -0.206 25436 7935 1 14 . 1 1 39 39 LYS C C 39 177.063 177.063 176.462 0.601 25436 7936 1 14 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.602 0.657 25436 7937 1 14 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.628 -0.066 25436 7938 1 14 . 1 1 39 39 LYS H H 39 7.057 7.057 8.041 -0.984 25436 7939 1 14 . 1 1 40 40 TYR N N 40 114.420 114.420 118.647 -4.227 25436 7940 1 14 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.529 -0.248 25436 7941 1 14 . 1 1 40 40 TYR C C 40 174.841 174.841 174.173 0.668 25436 7942 1 14 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.385 1.471 25436 7943 1 14 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.117 -1.756 25436 7944 1 14 . 1 1 40 40 TYR H H 40 6.956 6.956 7.627 -0.671 25436 7945 1 14 . 1 1 41 41 GLY N N 41 106.506 106.506 104.094 2.412 25436 7946 1 14 . 1 1 41 41 GLY C C 41 170.572 170.572 172.372 -1.800 25436 7947 1 14 . 1 1 41 41 GLY CA C 41 44.571 44.571 44.888 -0.317 25436 7948 1 14 . 1 1 41 41 GLY H H 41 7.430 7.430 7.328 0.102 25436 7949 1 14 . 1 1 42 42 LYS N N 42 117.771 117.771 121.222 -3.451 25436 7950 1 14 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.596 -0.395 25436 7951 1 14 . 1 1 42 42 LYS C C 42 176.535 176.535 176.291 0.244 25436 7952 1 14 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.560 2.571 25436 7953 1 14 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.651 0.305 25436 7954 1 14 . 1 1 42 42 LYS H H 42 8.037 8.037 8.240 -0.203 25436 7955 1 14 . 1 1 43 43 ILE N N 43 127.134 127.134 127.221 -0.087 25436 7956 1 14 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.399 -0.373 25436 7957 1 14 . 1 1 43 43 ILE C C 43 176.992 176.992 176.016 0.976 25436 7958 1 14 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.935 -0.539 25436 7959 1 14 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.622 0.245 25436 7960 1 14 . 1 1 43 43 ILE H H 43 8.720 8.720 8.541 0.179 25436 7961 1 14 . 1 1 44 44 VAL N N 44 121.988 121.988 121.032 0.956 25436 7962 1 14 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.493 -0.125 25436 7963 1 14 . 1 1 44 44 VAL C C 44 176.854 176.854 174.614 2.240 25436 7964 1 14 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.812 1.073 25436 7965 1 14 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.881 -0.409 25436 7966 1 14 . 1 1 44 44 VAL H H 44 8.707 8.707 8.876 -0.169 25436 7967 1 14 . 1 1 45 45 GLY N N 45 109.497 109.497 106.865 2.632 25436 7968 1 14 . 1 1 45 45 GLY C C 45 171.265 171.265 171.988 -0.723 25436 7969 1 14 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.546 -0.529 25436 7970 1 14 . 1 1 45 45 GLY H H 45 7.541 7.541 7.484 0.057 25436 7971 1 14 . 1 1 46 46 CYS N N 46 124.565 124.565 117.777 6.788 25436 7972 1 14 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.283 -0.272 25436 7973 1 14 . 1 1 46 46 CYS C C 46 172.072 172.072 172.325 -0.253 25436 7974 1 14 . 1 1 46 46 CYS CA C 46 57.984 57.984 56.840 1.144 25436 7975 1 14 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.367 -3.038 25436 7976 1 14 . 1 1 46 46 CYS H H 46 8.983 8.983 9.036 -0.053 25436 7977 1 14 . 1 1 47 47 SER N N 47 122.911 122.911 116.004 6.907 25436 7978 1 14 . 1 1 47 47 SER HA H 47 4.906 4.906 4.841 0.065 25436 7979 1 14 . 1 1 47 47 SER C C 47 171.848 171.848 172.314 -0.466 25436 7980 1 14 . 1 1 47 47 SER CA C 47 56.487 56.487 57.069 -0.582 25436 7981 1 14 . 1 1 47 47 SER CB C 47 65.679 65.679 65.503 0.176 25436 7982 1 14 . 1 1 47 47 SER H H 47 8.568 8.568 8.878 -0.310 25436 7983 1 14 . 1 1 48 48 VAL N N 48 121.488 121.488 123.138 -1.650 25436 7984 1 14 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.156 -0.014 25436 7985 1 14 . 1 1 48 48 VAL C C 48 173.990 173.990 174.165 -0.175 25436 7986 1 14 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.023 1.224 25436 7987 1 14 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.869 -1.002 25436 7988 1 14 . 1 1 48 48 VAL H H 48 8.588 8.588 8.256 0.332 25436 7989 1 14 . 1 1 49 49 HIS N N 49 130.227 130.227 123.083 7.144 25436 7990 1 14 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.681 -0.272 25436 7991 1 14 . 1 1 49 49 HIS C C 49 173.949 173.949 173.492 0.457 25436 7992 1 14 . 1 1 49 49 HIS CA C 49 54.666 54.666 53.857 0.809 25436 7993 1 14 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.325 -1.207 25436 7994 1 14 . 1 1 49 49 HIS H H 49 8.380 8.380 8.623 -0.243 25436 7995 1 14 . 1 1 50 50 LYS N N 50 121.171 121.171 119.986 1.185 25436 7996 1 14 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.992 0.442 25436 7997 1 14 . 1 1 50 50 LYS C C 50 175.527 175.527 177.573 -2.046 25436 7998 1 14 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.322 -0.404 25436 7999 1 14 . 1 1 50 50 LYS CB C 50 30.421 30.421 31.985 -1.564 25436 8000 1 14 . 1 1 50 50 LYS H H 50 7.717 7.717 8.202 -0.485 25436 8001 1 14 . 1 1 51 51 GLY N N 51 113.993 113.993 112.014 1.979 25436 8002 1 14 . 1 1 51 51 GLY C C 51 174.252 174.252 172.990 1.262 25436 8003 1 14 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.464 -1.057 25436 8004 1 14 . 1 1 51 51 GLY H H 51 9.404 9.404 8.769 0.635 25436 8005 1 14 . 1 1 52 52 PHE N N 52 112.326 112.326 115.212 -2.886 25436 8006 1 14 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.581 -0.289 25436 8007 1 14 . 1 1 52 52 PHE C C 52 171.605 171.605 172.867 -1.262 25436 8008 1 14 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.316 0.938 25436 8009 1 14 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.638 -0.597 25436 8010 1 14 . 1 1 52 52 PHE H H 52 7.006 7.006 7.185 -0.179 25436 8011 1 14 . 1 1 53 53 ALA N N 53 119.722 119.722 119.811 -0.089 25436 8012 1 14 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.792 0.016 25436 8013 1 14 . 1 1 53 53 ALA C C 53 173.029 173.029 174.421 -1.392 25436 8014 1 14 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.096 -0.800 25436 8015 1 14 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.499 2.300 25436 8016 1 14 . 1 1 53 53 ALA H H 53 8.677 8.677 8.626 0.051 25436 8017 1 14 . 1 1 54 54 PHE N N 54 112.104 112.104 116.088 -3.984 25436 8018 1 14 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.403 0.177 25436 8019 1 14 . 1 1 54 54 PHE C C 54 175.794 175.794 174.084 1.710 25436 8020 1 14 . 1 1 54 54 PHE CA C 54 56.714 56.714 57.204 -0.490 25436 8021 1 14 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.549 -0.263 25436 8022 1 14 . 1 1 54 54 PHE H H 54 8.797 8.797 8.939 -0.142 25436 8023 1 14 . 1 1 55 55 VAL N N 55 118.542 118.542 120.750 -2.208 25436 8024 1 14 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.441 -0.228 25436 8025 1 14 . 1 1 55 55 VAL C C 55 172.806 172.806 173.710 -0.904 25436 8026 1 14 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.273 0.655 25436 8027 1 14 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.908 -0.988 25436 8028 1 14 . 1 1 55 55 VAL H H 55 8.295 8.295 8.789 -0.494 25436 8029 1 14 . 1 1 56 56 GLN N N 56 128.473 128.473 124.912 3.561 25436 8030 1 14 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.791 -0.221 25436 8031 1 14 . 1 1 56 56 GLN C C 56 173.893 173.893 174.252 -0.359 25436 8032 1 14 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.990 0.274 25436 8033 1 14 . 1 1 56 56 GLN CB C 56 32.070 32.070 31.175 0.895 25436 8034 1 14 . 1 1 56 56 GLN H H 56 9.263 9.263 8.963 0.300 25436 8035 1 14 . 1 1 57 57 TYR N N 57 127.679 127.679 125.235 2.444 25436 8036 1 14 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.308 -0.021 25436 8037 1 14 . 1 1 57 57 TYR C C 57 175.609 175.609 177.333 -1.724 25436 8038 1 14 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.098 1.570 25436 8039 1 14 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.208 -0.174 25436 8040 1 14 . 1 1 57 57 TYR H H 57 8.928 8.928 8.962 -0.034 25436 8041 1 14 . 1 1 58 58 VAL N N 58 116.710 116.710 118.848 -2.138 25436 8042 1 14 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.910 0.205 25436 8043 1 14 . 1 1 58 58 VAL C C 58 175.859 175.859 175.195 0.664 25436 8044 1 14 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.338 -0.280 25436 8045 1 14 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.160 0.854 25436 8046 1 14 . 1 1 58 58 VAL H H 58 9.479 9.479 8.807 0.672 25436 8047 1 14 . 1 1 59 59 ASN N N 59 112.455 112.455 112.191 0.264 25436 8048 1 14 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.846 0.313 25436 8049 1 14 . 1 1 59 59 ASN C C 59 174.482 174.482 175.265 -0.783 25436 8050 1 14 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.459 0.483 25436 8051 1 14 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.219 1.973 25436 8052 1 14 . 1 1 59 59 ASN H H 59 7.218 7.218 7.557 -0.339 25436 8053 1 14 . 1 1 60 60 GLU N N 60 124.337 124.337 120.774 3.563 25436 8054 1 14 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.269 0.050 25436 8055 1 14 . 1 1 60 60 GLU C C 60 178.201 178.201 177.983 0.218 25436 8056 1 14 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.401 -0.661 25436 8057 1 14 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.937 0.420 25436 8058 1 14 . 1 1 60 60 GLU H H 60 8.808 8.808 8.964 -0.157 25436 8059 1 14 . 1 1 61 61 ARG N N 61 118.265 118.265 119.966 -1.701 25436 8060 1 14 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.046 -0.049 25436 8061 1 14 . 1 1 61 61 ARG C C 61 179.340 179.340 178.635 0.705 25436 8062 1 14 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.596 0.883 25436 8063 1 14 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.348 0.006 25436 8064 1 14 . 1 1 61 61 ARG H H 61 8.630 8.630 7.784 0.846 25436 8065 1 14 . 1 1 62 62 ASN N N 62 118.081 118.081 118.080 0.001 25436 8066 1 14 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.278 0.002 25436 8067 1 14 . 1 1 62 62 ASN C C 62 174.851 174.851 176.815 -1.964 25436 8068 1 14 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.259 0.193 25436 8069 1 14 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.322 0.696 25436 8070 1 14 . 1 1 62 62 ASN H H 62 7.785 7.785 9.013 -1.228 25436 8071 1 14 . 1 1 63 63 ALA N N 63 119.543 119.543 123.353 -3.810 25436 8072 1 14 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.487 -0.731 25436 8073 1 14 . 1 1 63 63 ALA C C 63 178.861 178.861 179.625 -0.764 25436 8074 1 14 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.174 -0.213 25436 8075 1 14 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.813 -0.273 25436 8076 1 14 . 1 1 63 63 ALA H H 63 6.779 6.779 7.449 -0.670 25436 8077 1 14 . 1 1 64 64 ARG N N 64 114.965 114.965 118.853 -3.888 25436 8078 1 14 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.090 -0.248 25436 8079 1 14 . 1 1 64 64 ARG C C 64 179.775 179.775 178.596 1.179 25436 8080 1 14 . 1 1 64 64 ARG CA C 64 60.190 60.190 58.450 1.740 25436 8081 1 14 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.650 -0.337 25436 8082 1 14 . 1 1 64 64 ARG H H 64 8.755 8.755 8.289 0.466 25436 8083 1 14 . 1 1 65 65 ALA N N 65 123.704 123.704 121.682 2.022 25436 8084 1 14 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.067 0.063 25436 8085 1 14 . 1 1 65 65 ALA C C 65 179.560 179.560 178.435 1.125 25436 8086 1 14 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.802 0.177 25436 8087 1 14 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.186 -0.294 25436 8088 1 14 . 1 1 65 65 ALA H H 65 7.823 7.823 7.490 0.333 25436 8089 1 14 . 1 1 66 66 ALA N N 66 123.797 123.797 119.044 4.753 25436 8090 1 14 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.689 -1.613 25436 8091 1 14 . 1 1 66 66 ALA C C 66 179.259 179.259 179.313 -0.054 25436 8092 1 14 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.102 0.186 25436 8093 1 14 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.225 0.050 25436 8094 1 14 . 1 1 66 66 ALA H H 66 7.545 7.545 7.486 0.059 25436 8095 1 14 . 1 1 67 67 VAL N N 67 116.549 116.549 118.231 -1.682 25436 8096 1 14 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.827 -0.473 25436 8097 1 14 . 1 1 67 67 VAL C C 67 177.744 177.744 176.671 1.073 25436 8098 1 14 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.113 0.420 25436 8099 1 14 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.724 0.245 25436 8100 1 14 . 1 1 67 67 VAL H H 67 7.619 7.619 8.446 -0.827 25436 8101 1 14 . 1 1 68 68 ALA N N 68 118.193 118.193 119.734 -1.541 25436 8102 1 14 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.430 -0.303 25436 8103 1 14 . 1 1 68 68 ALA C C 68 180.748 180.748 177.909 2.839 25436 8104 1 14 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.815 1.546 25436 8105 1 14 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.306 -1.178 25436 8106 1 14 . 1 1 68 68 ALA H H 68 7.550 7.550 7.583 -0.033 25436 8107 1 14 . 1 1 69 69 GLY N N 69 103.773 103.773 106.422 -2.649 25436 8108 1 14 . 1 1 69 69 GLY C C 69 175.626 175.626 175.428 0.198 25436 8109 1 14 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.465 0.661 25436 8110 1 14 . 1 1 69 69 GLY H H 69 8.140 8.140 7.327 0.813 25436 8111 1 14 . 1 1 70 70 GLU N N 70 114.547 114.547 117.540 -2.993 25436 8112 1 14 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.456 0.180 25436 8113 1 14 . 1 1 70 70 GLU C C 70 176.391 176.391 175.176 1.215 25436 8114 1 14 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.779 -0.619 25436 8115 1 14 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.603 -0.338 25436 8116 1 14 . 1 1 70 70 GLU H H 70 7.654 7.654 7.841 -0.187 25436 8117 1 14 . 1 1 71 71 ASP N N 71 118.202 118.202 120.448 -2.246 25436 8118 1 14 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.343 -0.056 25436 8119 1 14 . 1 1 71 71 ASP C C 71 178.698 178.698 177.773 0.925 25436 8120 1 14 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.116 1.415 25436 8121 1 14 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.990 0.381 25436 8122 1 14 . 1 1 71 71 ASP H H 71 8.020 8.020 7.557 0.463 25436 8123 1 14 . 1 1 72 72 GLY N N 72 114.301 114.301 114.519 -0.218 25436 8124 1 14 . 1 1 72 72 GLY C C 72 173.791 173.791 173.635 0.156 25436 8125 1 14 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.230 0.528 25436 8126 1 14 . 1 1 72 72 GLY H H 72 8.305 8.305 8.434 -0.129 25436 8127 1 14 . 1 1 73 73 ARG N N 73 121.994 121.994 118.497 3.497 25436 8128 1 14 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.543 -0.348 25436 8129 1 14 . 1 1 73 73 ARG C C 73 175.187 175.187 175.058 0.129 25436 8130 1 14 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.783 1.719 25436 8131 1 14 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.833 -0.581 25436 8132 1 14 . 1 1 73 73 ARG H H 73 7.980 7.980 7.727 0.253 25436 8133 1 14 . 1 1 74 74 MET N N 74 125.081 125.081 121.997 3.084 25436 8134 1 14 . 1 1 74 74 MET HA H 74 4.823 4.823 5.130 -0.307 25436 8135 1 14 . 1 1 74 74 MET C C 74 175.726 175.726 175.104 0.622 25436 8136 1 14 . 1 1 74 74 MET CA C 74 55.029 55.029 55.222 -0.194 25436 8137 1 14 . 1 1 74 74 MET CB C 74 33.092 33.092 34.736 -1.643 25436 8138 1 14 . 1 1 74 74 MET H H 74 8.712 8.712 8.438 0.274 25436 8139 1 14 . 1 1 75 75 ILE N N 75 127.490 127.490 125.329 2.161 25436 8140 1 14 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.493 -0.111 25436 8141 1 14 . 1 1 75 75 ILE C C 75 175.276 175.276 175.427 -0.151 25436 8142 1 14 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.755 -0.951 25436 8143 1 14 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.297 -0.901 25436 8144 1 14 . 1 1 75 75 ILE H H 75 8.589 8.589 8.995 -0.406 25436 8145 1 14 . 1 1 76 76 ALA N N 76 132.147 132.147 130.224 1.923 25436 8146 1 14 . 1 1 76 76 ALA HA H 76 4.038 4.038 3.999 0.039 25436 8147 1 14 . 1 1 76 76 ALA C C 76 177.205 177.205 177.515 -0.310 25436 8148 1 14 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.035 -1.101 25436 8149 1 14 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.314 -0.166 25436 8150 1 14 . 1 1 76 76 ALA H H 76 9.547 9.547 8.860 0.687 25436 8151 1 14 . 1 1 77 77 GLY N N 77 101.695 101.695 102.159 -0.464 25436 8152 1 14 . 1 1 77 77 GLY C C 77 174.205 174.205 174.491 -0.286 25436 8153 1 14 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.767 0.997 25436 8154 1 14 . 1 1 77 77 GLY H H 77 8.445 8.445 8.243 0.202 25436 8155 1 14 . 1 1 78 78 GLN N N 78 119.020 119.020 118.888 0.132 25436 8156 1 14 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.739 -0.010 25436 8157 1 14 . 1 1 78 78 GLN C C 78 174.046 174.046 174.402 -0.356 25436 8158 1 14 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.080 0.115 25436 8159 1 14 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.644 -0.755 25436 8160 1 14 . 1 1 78 78 GLN H H 78 7.720 7.720 8.083 -0.363 25436 8161 1 14 . 1 1 79 79 VAL N N 79 123.374 123.374 121.683 1.691 25436 8162 1 14 . 1 1 79 79 VAL HA H 79 4.012 4.012 5.042 -1.030 25436 8163 1 14 . 1 1 79 79 VAL C C 79 176.347 176.347 175.639 0.708 25436 8164 1 14 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.111 1.544 25436 8165 1 14 . 1 1 79 79 VAL CB C 79 32.084 32.084 32.866 -0.782 25436 8166 1 14 . 1 1 79 79 VAL H H 79 8.532 8.532 8.375 0.157 25436 8167 1 14 . 1 1 80 80 LEU N N 80 128.569 128.569 122.558 6.011 25436 8168 1 14 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.945 -0.658 25436 8169 1 14 . 1 1 80 80 LEU C C 80 176.521 176.521 175.341 1.180 25436 8170 1 14 . 1 1 80 80 LEU CA C 80 56.063 56.063 51.956 4.107 25436 8171 1 14 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.051 -0.230 25436 8172 1 14 . 1 1 80 80 LEU H H 80 9.014 9.014 8.136 0.878 25436 8173 1 14 . 1 1 81 81 ASP N N 81 124.359 124.359 122.138 2.221 25436 8174 1 14 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.048 0.177 25436 8175 1 14 . 1 1 81 81 ASP C C 81 174.659 174.659 175.200 -0.541 25436 8176 1 14 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.951 0.004 25436 8177 1 14 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.862 0.810 25436 8178 1 14 . 1 1 81 81 ASP H H 81 7.850 7.850 8.301 -0.451 25436 8179 1 14 . 1 1 82 82 ILE N N 82 123.155 123.155 126.708 -3.553 25436 8180 1 14 . 1 1 82 82 ILE HA H 82 5.402 5.402 5.016 0.386 25436 8181 1 14 . 1 1 82 82 ILE C C 82 174.520 174.520 174.855 -0.335 25436 8182 1 14 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.134 -0.902 25436 8183 1 14 . 1 1 82 82 ILE CB C 82 40.963 40.963 40.502 0.462 25436 8184 1 14 . 1 1 82 82 ILE H H 82 9.086 9.086 8.697 0.389 25436 8185 1 14 . 1 1 83 83 ASN N N 83 116.417 116.417 120.358 -3.941 25436 8186 1 14 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.962 -0.115 25436 8187 1 14 . 1 1 83 83 ASN C C 83 174.565 174.565 173.346 1.219 25436 8188 1 14 . 1 1 83 83 ASN CA C 83 53.048 53.048 51.690 1.358 25436 8189 1 14 . 1 1 83 83 ASN CB C 83 43.110 43.110 40.832 2.278 25436 8190 1 14 . 1 1 83 83 ASN H H 83 8.495 8.495 8.352 0.143 25436 8191 1 14 . 1 1 84 84 LEU N N 84 123.786 123.786 120.617 3.169 25436 8192 1 14 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.529 0.193 25436 8193 1 14 . 1 1 84 84 LEU C C 84 180.968 180.968 178.698 2.270 25436 8194 1 14 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.186 0.114 25436 8195 1 14 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.157 -1.841 25436 8196 1 14 . 1 1 84 84 LEU H H 84 9.427 9.427 8.931 0.496 25436 8197 1 14 . 1 1 85 85 ALA N N 85 127.571 127.571 128.062 -0.491 25436 8198 1 14 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.350 -0.302 25436 8199 1 14 . 1 1 85 85 ALA C C 85 177.931 177.931 176.805 1.126 25436 8200 1 14 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.400 1.896 25436 8201 1 14 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.067 -1.114 25436 8202 1 14 . 1 1 85 85 ALA H H 85 9.295 9.295 8.300 0.995 25436 8203 1 14 . 1 1 86 86 ALA N N 86 115.985 115.985 117.879 -1.894 25436 8204 1 14 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.417 -0.006 25436 8205 1 14 . 1 1 86 86 ALA C C 86 176.152 176.152 176.621 -0.469 25436 8206 1 14 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.958 -0.186 25436 8207 1 14 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.591 -0.266 25436 8208 1 14 . 1 1 86 86 ALA H H 86 8.657 8.657 8.121 0.536 25436 8209 1 14 . 1 1 87 87 GLU N N 87 118.975 118.975 119.642 -0.667 25436 8210 1 14 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.635 0.100 25436 8211 1 14 . 1 1 87 87 GLU C C 87 171.676 171.676 173.866 -2.190 25436 8212 1 14 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.266 -0.118 25436 8213 1 14 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.126 -0.210 25436 8214 1 14 . 1 1 87 87 GLU H H 87 7.913 7.913 7.948 -0.035 25436 8215 1 14 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.497 -0.150 25436 8216 1 14 . 1 1 88 88 PRO C C 88 177.303 177.303 176.486 0.817 25436 8217 1 14 . 1 1 88 88 PRO CA C 88 62.878 62.878 62.932 -0.055 25436 8218 1 14 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.389 -0.487 25436 8219 1 14 . 1 1 89 89 LYS N N 89 121.335 121.335 120.692 0.643 25436 8220 1 14 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.440 -0.200 25436 8221 1 14 . 1 1 89 89 LYS C C 89 177.689 177.689 175.729 1.960 25436 8222 1 14 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.549 0.202 25436 8223 1 14 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.115 0.321 25436 8224 1 14 . 1 1 89 89 LYS H H 89 8.020 8.020 8.741 -0.721 25436 8225 1 14 . 1 1 90 90 VAL N N 90 120.786 120.786 121.026 -0.240 25436 8226 1 14 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.354 -0.432 25436 8227 1 14 . 1 1 90 90 VAL C C 90 176.169 176.169 175.804 0.365 25436 8228 1 14 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.179 2.119 25436 8229 1 14 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.704 -1.437 25436 8230 1 14 . 1 1 90 90 VAL H H 90 8.232 8.232 7.713 0.519 25436 8231 1 14 . 1 1 91 91 ASN N N 91 119.214 119.214 119.880 -0.666 25436 8232 1 14 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.675 -0.016 25436 8233 1 14 . 1 1 91 91 ASN C C 91 175.172 175.172 175.512 -0.340 25436 8234 1 14 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.264 -0.236 25436 8235 1 14 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.477 -0.308 25436 8236 1 14 . 1 1 91 91 ASN H H 91 8.453 8.453 8.526 -0.073 25436 8237 1 14 . 1 1 92 92 ARG N N 92 120.709 120.709 117.543 3.166 25436 8238 1 14 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.117 0.137 25436 8239 1 14 . 1 1 92 92 ARG C C 92 176.991 176.991 176.234 0.757 25436 8240 1 14 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.694 -0.194 25436 8241 1 14 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.544 2.063 25436 8242 1 14 . 1 1 92 92 ARG H H 92 7.925 7.925 8.232 -0.307 25436 8243 1 14 . 1 1 93 93 GLY N N 93 110.299 110.299 105.633 4.666 25436 8244 1 14 . 1 1 93 93 GLY C C 93 174.245 174.245 174.379 -0.134 25436 8245 1 14 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.899 0.517 25436 8246 1 14 . 1 1 93 93 GLY H H 93 8.593 8.593 8.602 -0.009 25436 8247 1 14 . 1 1 94 94 LYS N N 94 120.781 120.781 118.784 1.997 25436 8248 1 14 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.844 0.450 25436 8249 1 14 . 1 1 94 94 LYS C C 94 176.524 176.524 175.811 0.713 25436 8250 1 14 . 1 1 94 94 LYS CA C 94 56.107 56.107 58.528 -2.421 25436 8251 1 14 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.356 1.784 25436 8252 1 14 . 1 1 94 94 LYS H H 94 8.126 8.126 7.942 0.184 25436 8253 1 14 . 1 1 95 95 ALA N N 95 125.012 125.012 121.452 3.560 25436 8254 1 14 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.556 -0.257 25436 8255 1 14 . 1 1 95 95 ALA C C 95 178.324 178.324 177.661 0.663 25436 8256 1 14 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.027 0.774 25436 8257 1 14 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.602 -1.424 25436 8258 1 14 . 1 1 95 95 ALA H H 95 8.435 8.435 8.138 0.297 25436 8259 1 14 . 1 1 96 96 GLY N N 96 108.312 108.312 107.506 0.806 25436 8260 1 14 . 1 1 96 96 GLY C C 96 174.095 174.095 174.581 -0.486 25436 8261 1 14 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.095 -0.813 25436 8262 1 14 . 1 1 96 96 GLY H H 96 8.414 8.414 8.327 0.087 25436 8263 1 14 . 1 1 97 97 VAL N N 97 119.818 119.818 119.369 0.449 25436 8264 1 14 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.871 0.201 25436 8265 1 14 . 1 1 97 97 VAL C C 97 176.155 176.155 176.423 -0.268 25436 8266 1 14 . 1 1 97 97 VAL CA C 97 62.344 62.344 64.231 -1.887 25436 8267 1 14 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.750 1.007 25436 8268 1 14 . 1 1 97 97 VAL H H 97 7.919 7.919 8.095 -0.176 25436 8269 1 14 . 1 1 98 98 LYS N N 98 125.912 125.912 119.882 6.030 25436 8270 1 14 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.436 -0.103 25436 8271 1 14 . 1 1 98 98 LYS C C 98 176.426 176.426 176.187 0.239 25436 8272 1 14 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.346 0.822 25436 8273 1 14 . 1 1 98 98 LYS CB C 98 33.048 33.048 33.210 -0.162 25436 8274 1 14 . 1 1 98 98 LYS H H 98 8.466 8.466 7.744 0.722 25436 8275 1 14 . 1 1 99 99 ARG N N 99 123.544 123.544 119.571 3.973 25436 8276 1 14 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.318 0.051 25436 8277 1 14 . 1 1 99 99 ARG C C 99 176.230 176.230 176.507 -0.277 25436 8278 1 14 . 1 1 99 99 ARG CA C 99 55.994 55.994 56.066 -0.072 25436 8279 1 14 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.090 0.073 25436 8280 1 14 . 1 1 99 99 ARG H H 99 8.468 8.468 8.649 -0.181 25436 8281 1 14 . 1 1 100 100 SER N N 100 117.781 117.781 115.759 2.022 25436 8282 1 14 . 1 1 100 100 SER HA H 100 4.452 4.452 4.393 0.059 25436 8283 1 14 . 1 1 100 100 SER C C 100 174.555 174.555 176.215 -1.660 25436 8284 1 14 . 1 1 100 100 SER CA C 100 58.036 58.036 58.087 -0.052 25436 8285 1 14 . 1 1 100 100 SER CB C 100 64.139 64.139 63.907 0.232 25436 8286 1 14 . 1 1 100 100 SER H H 100 8.507 8.507 8.754 -0.247 25436 8287 1 14 . 1 1 101 101 ALA N N 101 126.090 126.090 127.857 -1.767 25436 8288 1 14 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.153 0.117 25436 8289 1 14 . 1 1 101 101 ALA C C 101 178.046 178.046 177.448 0.598 25436 8290 1 14 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.963 -0.693 25436 8291 1 14 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.546 0.486 25436 8292 1 14 . 1 1 101 101 ALA H H 101 8.529 8.529 8.855 -0.326 25436 8293 1 14 . 1 1 102 102 ALA N N 102 121.750 121.750 119.385 2.365 25436 8294 1 14 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.457 -0.230 25436 8295 1 14 . 1 1 102 102 ALA C C 102 178.253 178.253 177.842 0.411 25436 8296 1 14 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.607 0.388 25436 8297 1 14 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.016 -0.938 25436 8298 1 14 . 1 1 102 102 ALA H H 102 8.219 8.219 7.494 0.725 25436 8299 1 14 . 1 1 103 103 GLU N N 103 118.819 118.819 117.322 1.497 25436 8300 1 14 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.518 -0.316 25436 8301 1 14 . 1 1 103 103 GLU C C 103 176.515 176.515 176.152 0.363 25436 8302 1 14 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.724 0.945 25436 8303 1 14 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.226 -0.064 25436 8304 1 14 . 1 1 103 103 GLU H H 103 8.100 8.100 7.668 0.432 25436 8305 1 14 . 1 1 104 104 MET N N 104 120.178 120.178 118.703 1.475 25436 8306 1 14 . 1 1 104 104 MET HA H 104 4.332 4.332 4.068 0.264 25436 8307 1 14 . 1 1 104 104 MET C C 104 175.861 175.861 175.495 0.366 25436 8308 1 14 . 1 1 104 104 MET CA C 104 55.869 55.869 56.693 -0.824 25436 8309 1 14 . 1 1 104 104 MET CB C 104 32.993 32.993 32.444 0.549 25436 8310 1 14 . 1 1 104 104 MET H H 104 8.086 8.086 7.863 0.223 25436 8311 1 14 . 1 1 105 105 TYR N N 105 120.369 120.369 115.308 5.061 25436 8312 1 14 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.681 -0.029 25436 8313 1 14 . 1 1 105 105 TYR C C 105 175.318 175.318 176.003 -0.685 25436 8314 1 14 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.169 0.416 25436 8315 1 14 . 1 1 105 105 TYR CB C 105 38.891 38.891 39.159 -0.268 25436 8316 1 14 . 1 1 105 105 TYR H H 105 8.137 8.137 7.553 0.584 25436 8317 1 15 . 1 1 3 3 SER HA H 3 4.564 4.564 4.636 -0.072 25436 8318 1 15 . 1 1 3 3 SER C C 3 173.407 173.407 174.787 -1.380 25436 8319 1 15 . 1 1 3 3 SER CA C 3 58.309 58.309 56.347 1.962 25436 8320 1 15 . 1 1 3 3 SER CB C 3 63.980 63.980 63.887 0.093 25436 8321 1 15 . 1 1 4 4 ASN N N 4 120.204 120.204 118.754 1.450 25436 8322 1 15 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.159 0.058 25436 8323 1 15 . 1 1 4 4 ASN C C 4 176.242 176.242 174.162 2.080 25436 8324 1 15 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.058 0.977 25436 8325 1 15 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.369 0.346 25436 8326 1 15 . 1 1 4 4 ASN H H 4 8.783 8.783 8.566 0.217 25436 8327 1 15 . 1 1 5 5 VAL N N 5 122.598 122.598 119.444 3.154 25436 8328 1 15 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.275 -0.505 25436 8329 1 15 . 1 1 5 5 VAL C C 5 177.222 177.222 174.695 2.527 25436 8330 1 15 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.099 4.707 25436 8331 1 15 . 1 1 5 5 VAL CB C 5 30.855 30.855 35.302 -4.447 25436 8332 1 15 . 1 1 5 5 VAL H H 5 8.326 8.326 7.404 0.922 25436 8333 1 15 . 1 1 6 6 THR N N 6 118.450 118.450 118.075 0.375 25436 8334 1 15 . 1 1 6 6 THR HA H 6 4.682 4.682 4.524 0.158 25436 8335 1 15 . 1 1 6 6 THR C C 6 174.349 174.349 173.590 0.759 25436 8336 1 15 . 1 1 6 6 THR CA C 6 60.542 60.542 62.708 -2.166 25436 8337 1 15 . 1 1 6 6 THR CB C 6 69.771 69.771 69.682 0.089 25436 8338 1 15 . 1 1 6 6 THR H H 6 9.391 9.391 8.246 1.145 25436 8339 1 15 . 1 1 7 7 ASN N N 7 120.847 120.847 118.706 2.141 25436 8340 1 15 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.442 0.113 25436 8341 1 15 . 1 1 7 7 ASN C C 7 176.863 176.863 175.590 1.273 25436 8342 1 15 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.101 -0.192 25436 8343 1 15 . 1 1 7 7 ASN CB C 7 38.059 38.059 36.981 1.078 25436 8344 1 15 . 1 1 7 7 ASN H H 7 7.970 7.970 8.122 -0.152 25436 8345 1 15 . 1 1 8 8 LYS N N 8 121.736 121.736 121.266 0.470 25436 8346 1 15 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.274 -0.020 25436 8347 1 15 . 1 1 8 8 LYS C C 8 180.141 180.141 176.948 3.193 25436 8348 1 15 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.440 1.781 25436 8349 1 15 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.995 -0.704 25436 8350 1 15 . 1 1 8 8 LYS H H 8 8.577 8.577 7.899 0.678 25436 8351 1 15 . 1 1 9 9 THR N N 9 110.800 110.800 109.427 1.373 25436 8352 1 15 . 1 1 9 9 THR HA H 9 4.467 4.467 4.452 0.015 25436 8353 1 15 . 1 1 9 9 THR C C 9 174.484 174.484 173.388 1.096 25436 8354 1 15 . 1 1 9 9 THR CA C 9 61.242 61.242 61.427 -0.185 25436 8355 1 15 . 1 1 9 9 THR CB C 9 69.009 69.009 69.582 -0.572 25436 8356 1 15 . 1 1 9 9 THR H H 9 8.695 8.695 8.339 0.356 25436 8357 1 15 . 1 1 10 10 ASP N N 10 120.937 120.937 124.109 -3.172 25436 8358 1 15 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.888 -0.065 25436 8359 1 15 . 1 1 10 10 ASP C C 10 173.945 173.945 176.174 -2.229 25436 8360 1 15 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.932 -1.446 25436 8361 1 15 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.633 -2.083 25436 8362 1 15 . 1 1 10 10 ASP H H 10 7.908 7.908 7.860 0.048 25436 8363 1 15 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.361 -0.211 25436 8364 1 15 . 1 1 11 11 PRO C C 11 178.420 178.420 176.151 2.269 25436 8365 1 15 . 1 1 11 11 PRO CA C 11 66.213 66.213 65.069 1.144 25436 8366 1 15 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.930 0.224 25436 8367 1 15 . 1 1 12 12 ARG N N 12 116.349 116.349 112.611 3.738 25436 8368 1 15 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.706 -0.611 25436 8369 1 15 . 1 1 12 12 ARG C C 12 180.445 180.445 176.030 4.415 25436 8370 1 15 . 1 1 12 12 ARG CA C 12 59.571 59.571 55.914 3.657 25436 8371 1 15 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.136 0.099 25436 8372 1 15 . 1 1 12 12 ARG H H 12 7.944 7.944 7.911 0.033 25436 8373 1 15 . 1 1 13 13 SER N N 13 119.401 119.401 115.584 3.817 25436 8374 1 15 . 1 1 13 13 SER HA H 13 4.053 4.053 4.638 -0.585 25436 8375 1 15 . 1 1 13 13 SER C C 13 175.325 175.325 175.402 -0.077 25436 8376 1 15 . 1 1 13 13 SER CA C 13 61.500 61.500 59.768 1.732 25436 8377 1 15 . 1 1 13 13 SER CB C 13 61.798 61.798 63.899 -2.101 25436 8378 1 15 . 1 1 13 13 SER H H 13 8.152 8.152 7.612 0.540 25436 8379 1 15 . 1 1 14 14 MET N N 14 120.254 120.254 117.478 2.776 25436 8380 1 15 . 1 1 14 14 MET HA H 14 4.090 4.090 4.298 -0.208 25436 8381 1 15 . 1 1 14 14 MET C C 14 178.575 178.575 176.051 2.524 25436 8382 1 15 . 1 1 14 14 MET CA C 14 58.317 58.317 56.934 1.383 25436 8383 1 15 . 1 1 14 14 MET CB C 14 31.466 31.466 32.452 -0.986 25436 8384 1 15 . 1 1 14 14 MET H H 14 8.241 8.241 7.852 0.389 25436 8385 1 15 . 1 1 15 15 ASN N N 15 115.299 115.299 110.727 4.572 25436 8386 1 15 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.822 -0.196 25436 8387 1 15 . 1 1 15 15 ASN C C 15 172.554 172.554 175.944 -3.390 25436 8388 1 15 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.196 0.864 25436 8389 1 15 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.130 -0.334 25436 8390 1 15 . 1 1 15 15 ASN H H 15 7.962 7.962 8.298 -0.336 25436 8391 1 15 . 1 1 16 16 SER N N 16 106.079 106.079 113.328 -7.249 25436 8392 1 15 . 1 1 16 16 SER HA H 16 4.500 4.500 4.723 -0.223 25436 8393 1 15 . 1 1 16 16 SER C C 16 172.120 172.120 173.771 -1.651 25436 8394 1 15 . 1 1 16 16 SER CA C 16 56.814 56.814 58.221 -1.407 25436 8395 1 15 . 1 1 16 16 SER CB C 16 63.439 63.439 63.782 -0.343 25436 8396 1 15 . 1 1 16 16 SER H H 16 7.249 7.249 7.771 -0.522 25436 8397 1 15 . 1 1 17 17 ARG N N 17 123.335 123.335 121.280 2.055 25436 8398 1 15 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.176 0.409 25436 8399 1 15 . 1 1 17 17 ARG C C 17 174.490 174.490 174.493 -0.003 25436 8400 1 15 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.997 -0.633 25436 8401 1 15 . 1 1 17 17 ARG CB C 17 32.858 32.858 34.312 -1.454 25436 8402 1 15 . 1 1 17 17 ARG H H 17 7.400 7.400 7.634 -0.234 25436 8403 1 15 . 1 1 18 18 VAL N N 18 122.241 122.241 121.752 0.489 25436 8404 1 15 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.667 0.050 25436 8405 1 15 . 1 1 18 18 VAL C C 18 174.862 174.862 174.482 0.380 25436 8406 1 15 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.549 -0.826 25436 8407 1 15 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.879 0.402 25436 8408 1 15 . 1 1 18 18 VAL H H 18 9.264 9.264 8.919 0.345 25436 8409 1 15 . 1 1 19 19 PHE N N 19 125.933 125.933 128.641 -2.708 25436 8410 1 15 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.316 0.150 25436 8411 1 15 . 1 1 19 19 PHE C C 19 171.966 171.966 173.435 -1.469 25436 8412 1 15 . 1 1 19 19 PHE CA C 19 57.123 57.123 54.983 2.140 25436 8413 1 15 . 1 1 19 19 PHE CB C 19 40.945 40.945 42.148 -1.203 25436 8414 1 15 . 1 1 19 19 PHE H H 19 9.162 9.162 9.272 -0.110 25436 8415 1 15 . 1 1 20 20 ILE N N 20 126.425 126.425 126.518 -0.093 25436 8416 1 15 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.253 -0.384 25436 8417 1 15 . 1 1 20 20 ILE C C 20 173.048 173.048 173.875 -0.827 25436 8418 1 15 . 1 1 20 20 ILE CA C 20 59.330 59.330 59.989 -0.659 25436 8419 1 15 . 1 1 20 20 ILE CB C 20 39.035 39.035 39.855 -0.820 25436 8420 1 15 . 1 1 20 20 ILE H H 20 7.723 7.723 7.789 -0.066 25436 8421 1 15 . 1 1 21 21 GLY N N 21 113.255 113.255 111.772 1.483 25436 8422 1 15 . 1 1 21 21 GLY C C 21 173.768 173.768 173.971 -0.203 25436 8423 1 15 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.739 1.192 25436 8424 1 15 . 1 1 21 21 GLY H H 21 8.498 8.498 8.443 0.055 25436 8425 1 15 . 1 1 22 22 ASN N N 22 116.172 116.172 115.931 0.241 25436 8426 1 15 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.260 0.169 25436 8427 1 15 . 1 1 22 22 ASN C C 22 174.204 174.204 174.742 -0.538 25436 8428 1 15 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.499 -0.981 25436 8429 1 15 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.425 0.350 25436 8430 1 15 . 1 1 22 22 ASN H H 22 7.227 7.227 8.455 -1.228 25436 8431 1 15 . 1 1 23 23 LEU N N 23 119.429 119.429 119.348 0.081 25436 8432 1 15 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.223 -0.280 25436 8433 1 15 . 1 1 23 23 LEU C C 23 176.550 176.550 175.313 1.237 25436 8434 1 15 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.884 -2.307 25436 8435 1 15 . 1 1 23 23 LEU CB C 23 44.368 44.368 42.932 1.435 25436 8436 1 15 . 1 1 23 23 LEU H H 23 7.110 7.110 7.279 -0.169 25436 8437 1 15 . 1 1 24 24 ASN N N 24 122.292 122.292 120.819 1.473 25436 8438 1 15 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.688 0.384 25436 8439 1 15 . 1 1 24 24 ASN C C 24 175.830 175.830 175.181 0.649 25436 8440 1 15 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.791 -2.290 25436 8441 1 15 . 1 1 24 24 ASN CB C 24 35.591 35.591 39.299 -3.708 25436 8442 1 15 . 1 1 24 24 ASN H H 24 8.975 8.975 8.892 0.083 25436 8443 1 15 . 1 1 25 25 THR N N 25 118.371 118.371 115.152 3.219 25436 8444 1 15 . 1 1 25 25 THR HA H 25 4.411 4.411 4.509 -0.098 25436 8445 1 15 . 1 1 25 25 THR C C 25 175.285 175.285 175.251 0.034 25436 8446 1 15 . 1 1 25 25 THR CA C 25 63.453 63.453 60.795 2.658 25436 8447 1 15 . 1 1 25 25 THR CB C 25 67.150 67.150 69.380 -2.230 25436 8448 1 15 . 1 1 25 25 THR H H 25 8.466 8.466 8.336 0.130 25436 8449 1 15 . 1 1 26 26 LEU N N 26 121.017 121.017 120.485 0.532 25436 8450 1 15 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.464 -0.257 25436 8451 1 15 . 1 1 26 26 LEU C C 26 178.243 178.243 177.308 0.935 25436 8452 1 15 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.193 0.546 25436 8453 1 15 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.517 -1.385 25436 8454 1 15 . 1 1 26 26 LEU H H 26 7.583 7.583 7.771 -0.188 25436 8455 1 15 . 1 1 27 27 VAL N N 27 115.968 115.968 114.713 1.255 25436 8456 1 15 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.309 -0.284 25436 8457 1 15 . 1 1 27 27 VAL C C 27 175.199 175.199 175.220 -0.021 25436 8458 1 15 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.429 0.780 25436 8459 1 15 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.699 1.483 25436 8460 1 15 . 1 1 27 27 VAL H H 27 6.846 6.846 7.644 -0.798 25436 8461 1 15 . 1 1 28 28 VAL N N 28 121.753 121.753 121.180 0.573 25436 8462 1 15 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.921 -0.054 25436 8463 1 15 . 1 1 28 28 VAL C C 28 174.351 174.351 174.402 -0.051 25436 8464 1 15 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.426 0.754 25436 8465 1 15 . 1 1 28 28 VAL CB C 28 32.045 32.045 32.985 -0.940 25436 8466 1 15 . 1 1 28 28 VAL H H 28 8.389 8.389 7.476 0.913 25436 8467 1 15 . 1 1 29 29 LYS N N 29 124.108 124.108 121.324 2.784 25436 8468 1 15 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.532 0.096 25436 8469 1 15 . 1 1 29 29 LYS C C 29 177.958 177.958 176.667 1.291 25436 8470 1 15 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.684 -0.024 25436 8471 1 15 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.598 -0.142 25436 8472 1 15 . 1 1 29 29 LYS H H 29 8.929 8.929 8.007 0.922 25436 8473 1 15 . 1 1 30 30 LYS N N 30 123.352 123.352 121.935 1.417 25436 8474 1 15 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.934 -0.271 25436 8475 1 15 . 1 1 30 30 LYS C C 30 177.638 177.638 178.370 -0.732 25436 8476 1 15 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.774 2.626 25436 8477 1 15 . 1 1 30 30 LYS CB C 30 32.656 32.656 31.659 0.997 25436 8478 1 15 . 1 1 30 30 LYS H H 30 8.994 8.994 8.721 0.273 25436 8479 1 15 . 1 1 31 31 SER N N 31 111.491 111.491 112.831 -1.340 25436 8480 1 15 . 1 1 31 31 SER HA H 31 4.175 4.175 4.393 -0.218 25436 8481 1 15 . 1 1 31 31 SER C C 31 177.616 177.616 174.939 2.677 25436 8482 1 15 . 1 1 31 31 SER CA C 31 61.402 61.402 59.766 1.636 25436 8483 1 15 . 1 1 31 31 SER CB C 31 61.541 61.541 63.033 -1.492 25436 8484 1 15 . 1 1 31 31 SER H H 31 8.686 8.686 8.297 0.389 25436 8485 1 15 . 1 1 32 32 ASP N N 32 122.114 122.114 122.478 -0.364 25436 8486 1 15 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.719 -0.195 25436 8487 1 15 . 1 1 32 32 ASP C C 32 178.193 178.193 178.377 -0.184 25436 8488 1 15 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.642 0.553 25436 8489 1 15 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.344 0.469 25436 8490 1 15 . 1 1 32 32 ASP H H 32 7.147 7.147 7.881 -0.734 25436 8491 1 15 . 1 1 33 33 VAL N N 33 120.064 120.064 120.308 -0.244 25436 8492 1 15 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.853 -0.385 25436 8493 1 15 . 1 1 33 33 VAL C C 33 178.623 178.623 176.923 1.700 25436 8494 1 15 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.405 0.932 25436 8495 1 15 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.823 -0.527 25436 8496 1 15 . 1 1 33 33 VAL H H 33 7.939 7.939 7.767 0.172 25436 8497 1 15 . 1 1 34 34 GLU N N 34 118.713 118.713 116.220 2.493 25436 8498 1 15 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.162 -0.403 25436 8499 1 15 . 1 1 34 34 GLU C C 34 178.700 178.700 176.241 2.459 25436 8500 1 15 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.553 2.950 25436 8501 1 15 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.219 0.111 25436 8502 1 15 . 1 1 34 34 GLU H H 34 8.641 8.641 7.780 0.861 25436 8503 1 15 . 1 1 35 35 ALA N N 35 121.519 121.519 120.284 1.235 25436 8504 1 15 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.537 -0.387 25436 8505 1 15 . 1 1 35 35 ALA C C 35 180.482 180.482 178.228 2.254 25436 8506 1 15 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.844 2.698 25436 8507 1 15 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.168 -2.111 25436 8508 1 15 . 1 1 35 35 ALA H H 35 7.818 7.818 7.697 0.121 25436 8509 1 15 . 1 1 36 36 ILE N N 36 117.410 117.410 117.978 -0.568 25436 8510 1 15 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.143 -0.475 25436 8511 1 15 . 1 1 36 36 ILE C C 36 178.664 178.664 176.401 2.263 25436 8512 1 15 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.914 1.876 25436 8513 1 15 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.423 0.362 25436 8514 1 15 . 1 1 36 36 ILE H H 36 7.778 7.778 7.629 0.149 25436 8515 1 15 . 1 1 37 37 PHE N N 37 113.502 113.502 117.027 -3.525 25436 8516 1 15 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.852 -0.489 25436 8517 1 15 . 1 1 37 37 PHE C C 37 179.622 179.622 177.249 2.373 25436 8518 1 15 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.548 4.155 25436 8519 1 15 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.532 -3.348 25436 8520 1 15 . 1 1 37 37 PHE H H 37 8.587 8.587 7.806 0.781 25436 8521 1 15 . 1 1 38 38 SER N N 38 122.010 122.010 115.499 6.511 25436 8522 1 15 . 1 1 38 38 SER HA H 38 4.819 4.819 4.715 0.104 25436 8523 1 15 . 1 1 38 38 SER C C 38 175.438 175.438 175.473 -0.035 25436 8524 1 15 . 1 1 38 38 SER CA C 38 61.462 61.462 59.629 1.833 25436 8525 1 15 . 1 1 38 38 SER CB C 38 62.737 62.737 62.829 -0.092 25436 8526 1 15 . 1 1 38 38 SER H H 38 8.827 8.827 8.669 0.158 25436 8527 1 15 . 1 1 39 39 LYS N N 39 119.345 119.345 117.632 1.713 25436 8528 1 15 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.183 -0.216 25436 8529 1 15 . 1 1 39 39 LYS C C 39 177.063 177.063 176.471 0.592 25436 8530 1 15 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.608 0.651 25436 8531 1 15 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.902 -0.340 25436 8532 1 15 . 1 1 39 39 LYS H H 39 7.057 7.057 8.080 -1.023 25436 8533 1 15 . 1 1 40 40 TYR N N 40 114.420 114.420 119.166 -4.746 25436 8534 1 15 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.584 -0.303 25436 8535 1 15 . 1 1 40 40 TYR C C 40 174.841 174.841 174.390 0.451 25436 8536 1 15 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.399 1.457 25436 8537 1 15 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.275 -1.914 25436 8538 1 15 . 1 1 40 40 TYR H H 40 6.956 6.956 7.635 -0.679 25436 8539 1 15 . 1 1 41 41 GLY N N 41 106.506 106.506 105.292 1.214 25436 8540 1 15 . 1 1 41 41 GLY C C 41 170.572 170.572 172.150 -1.578 25436 8541 1 15 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.339 -0.768 25436 8542 1 15 . 1 1 41 41 GLY H H 41 7.430 7.430 7.424 0.006 25436 8543 1 15 . 1 1 42 42 LYS N N 42 117.771 117.771 121.272 -3.501 25436 8544 1 15 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.571 -0.370 25436 8545 1 15 . 1 1 42 42 LYS C C 42 176.535 176.535 176.324 0.211 25436 8546 1 15 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.640 2.492 25436 8547 1 15 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.570 0.386 25436 8548 1 15 . 1 1 42 42 LYS H H 42 8.037 8.037 8.311 -0.274 25436 8549 1 15 . 1 1 43 43 ILE N N 43 127.134 127.134 127.277 -0.143 25436 8550 1 15 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.329 -0.303 25436 8551 1 15 . 1 1 43 43 ILE C C 43 176.992 176.992 176.046 0.946 25436 8552 1 15 . 1 1 43 43 ILE CA C 43 61.396 61.396 62.022 -0.626 25436 8553 1 15 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.496 0.371 25436 8554 1 15 . 1 1 43 43 ILE H H 43 8.720 8.720 8.501 0.219 25436 8555 1 15 . 1 1 44 44 VAL N N 44 121.988 121.988 120.039 1.949 25436 8556 1 15 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.565 -0.197 25436 8557 1 15 . 1 1 44 44 VAL C C 44 176.854 176.854 175.363 1.491 25436 8558 1 15 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.769 1.116 25436 8559 1 15 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.077 -0.605 25436 8560 1 15 . 1 1 44 44 VAL H H 44 8.707 8.707 8.815 -0.108 25436 8561 1 15 . 1 1 45 45 GLY N N 45 109.497 109.497 108.232 1.265 25436 8562 1 15 . 1 1 45 45 GLY C C 45 171.265 171.265 171.832 -0.567 25436 8563 1 15 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.619 -0.602 25436 8564 1 15 . 1 1 45 45 GLY H H 45 7.541 7.541 7.633 -0.092 25436 8565 1 15 . 1 1 46 46 CYS N N 46 124.565 124.565 122.253 2.312 25436 8566 1 15 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.554 -0.543 25436 8567 1 15 . 1 1 46 46 CYS C C 46 172.072 172.072 172.567 -0.495 25436 8568 1 15 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.162 0.822 25436 8569 1 15 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.315 -2.986 25436 8570 1 15 . 1 1 46 46 CYS H H 46 8.983 8.983 8.796 0.187 25436 8571 1 15 . 1 1 47 47 SER N N 47 122.911 122.911 118.971 3.940 25436 8572 1 15 . 1 1 47 47 SER HA H 47 4.906 4.906 4.844 0.062 25436 8573 1 15 . 1 1 47 47 SER C C 47 171.848 171.848 171.973 -0.125 25436 8574 1 15 . 1 1 47 47 SER CA C 47 56.487 56.487 57.801 -1.314 25436 8575 1 15 . 1 1 47 47 SER CB C 47 65.679 65.679 66.354 -0.675 25436 8576 1 15 . 1 1 47 47 SER H H 47 8.568 8.568 9.204 -0.636 25436 8577 1 15 . 1 1 48 48 VAL N N 48 121.488 121.488 120.547 0.941 25436 8578 1 15 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.319 -0.177 25436 8579 1 15 . 1 1 48 48 VAL C C 48 173.990 173.990 173.862 0.128 25436 8580 1 15 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.977 1.270 25436 8581 1 15 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.685 -0.818 25436 8582 1 15 . 1 1 48 48 VAL H H 48 8.588 8.588 8.215 0.373 25436 8583 1 15 . 1 1 49 49 HIS N N 49 130.227 130.227 124.963 5.264 25436 8584 1 15 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.686 -0.277 25436 8585 1 15 . 1 1 49 49 HIS C C 49 173.949 173.949 173.963 -0.014 25436 8586 1 15 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.250 0.416 25436 8587 1 15 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.052 -0.934 25436 8588 1 15 . 1 1 49 49 HIS H H 49 8.380 8.380 8.817 -0.437 25436 8589 1 15 . 1 1 50 50 LYS N N 50 121.171 121.171 120.066 1.105 25436 8590 1 15 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.963 0.471 25436 8591 1 15 . 1 1 50 50 LYS C C 50 175.527 175.527 177.510 -1.983 25436 8592 1 15 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.254 -0.336 25436 8593 1 15 . 1 1 50 50 LYS CB C 50 30.421 30.421 31.829 -1.408 25436 8594 1 15 . 1 1 50 50 LYS H H 50 7.717 7.717 8.141 -0.424 25436 8595 1 15 . 1 1 51 51 GLY N N 51 113.993 113.993 111.838 2.155 25436 8596 1 15 . 1 1 51 51 GLY C C 51 174.252 174.252 172.856 1.396 25436 8597 1 15 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.431 -1.024 25436 8598 1 15 . 1 1 51 51 GLY H H 51 9.404 9.404 8.732 0.672 25436 8599 1 15 . 1 1 52 52 PHE N N 52 112.326 112.326 114.200 -1.874 25436 8600 1 15 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.564 -0.272 25436 8601 1 15 . 1 1 52 52 PHE C C 52 171.605 171.605 173.067 -1.462 25436 8602 1 15 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.327 0.927 25436 8603 1 15 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.468 -0.427 25436 8604 1 15 . 1 1 52 52 PHE H H 52 7.006 7.006 7.017 -0.011 25436 8605 1 15 . 1 1 53 53 ALA N N 53 119.722 119.722 119.155 0.567 25436 8606 1 15 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.879 -0.071 25436 8607 1 15 . 1 1 53 53 ALA C C 53 173.029 173.029 174.536 -1.507 25436 8608 1 15 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.142 -0.845 25436 8609 1 15 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.592 2.207 25436 8610 1 15 . 1 1 53 53 ALA H H 53 8.677 8.677 8.688 -0.011 25436 8611 1 15 . 1 1 54 54 PHE N N 54 112.104 112.104 117.570 -5.466 25436 8612 1 15 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.526 0.054 25436 8613 1 15 . 1 1 54 54 PHE C C 54 175.794 175.794 174.143 1.651 25436 8614 1 15 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.914 -0.200 25436 8615 1 15 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.421 -0.135 25436 8616 1 15 . 1 1 54 54 PHE H H 54 8.797 8.797 8.552 0.245 25436 8617 1 15 . 1 1 55 55 VAL N N 55 118.542 118.542 122.034 -3.492 25436 8618 1 15 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.429 -0.216 25436 8619 1 15 . 1 1 55 55 VAL C C 55 172.806 172.806 173.610 -0.804 25436 8620 1 15 . 1 1 55 55 VAL CA C 55 61.928 61.928 60.984 0.944 25436 8621 1 15 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.256 -0.336 25436 8622 1 15 . 1 1 55 55 VAL H H 55 8.295 8.295 8.687 -0.392 25436 8623 1 15 . 1 1 56 56 GLN N N 56 128.473 128.473 127.084 1.389 25436 8624 1 15 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.709 -0.139 25436 8625 1 15 . 1 1 56 56 GLN C C 56 173.893 173.893 174.328 -0.435 25436 8626 1 15 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.936 0.328 25436 8627 1 15 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.193 1.877 25436 8628 1 15 . 1 1 56 56 GLN H H 56 9.263 9.263 8.870 0.393 25436 8629 1 15 . 1 1 57 57 TYR N N 57 127.679 127.679 125.593 2.086 25436 8630 1 15 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.166 0.121 25436 8631 1 15 . 1 1 57 57 TYR C C 57 175.609 175.609 176.832 -1.223 25436 8632 1 15 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.589 1.079 25436 8633 1 15 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.110 -0.076 25436 8634 1 15 . 1 1 57 57 TYR H H 57 8.928 8.928 8.768 0.160 25436 8635 1 15 . 1 1 58 58 VAL N N 58 116.710 116.710 117.683 -0.973 25436 8636 1 15 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.891 0.224 25436 8637 1 15 . 1 1 58 58 VAL C C 58 175.859 175.859 174.757 1.102 25436 8638 1 15 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.504 -0.446 25436 8639 1 15 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.194 0.819 25436 8640 1 15 . 1 1 58 58 VAL H H 58 9.479 9.479 8.711 0.768 25436 8641 1 15 . 1 1 59 59 ASN N N 59 112.455 112.455 112.945 -0.490 25436 8642 1 15 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.798 0.361 25436 8643 1 15 . 1 1 59 59 ASN C C 59 174.482 174.482 175.269 -0.787 25436 8644 1 15 . 1 1 59 59 ASN CA C 59 51.942 51.942 52.016 -0.074 25436 8645 1 15 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.166 2.026 25436 8646 1 15 . 1 1 59 59 ASN H H 59 7.218 7.218 7.511 -0.293 25436 8647 1 15 . 1 1 60 60 GLU N N 60 124.337 124.337 121.448 2.889 25436 8648 1 15 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.220 0.099 25436 8649 1 15 . 1 1 60 60 GLU C C 60 178.201 178.201 178.166 0.035 25436 8650 1 15 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.768 -1.028 25436 8651 1 15 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.966 0.391 25436 8652 1 15 . 1 1 60 60 GLU H H 60 8.808 8.808 8.989 -0.181 25436 8653 1 15 . 1 1 61 61 ARG N N 61 118.265 118.265 119.616 -1.351 25436 8654 1 15 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.022 -0.025 25436 8655 1 15 . 1 1 61 61 ARG C C 61 179.340 179.340 178.631 0.709 25436 8656 1 15 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.644 0.835 25436 8657 1 15 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.308 0.046 25436 8658 1 15 . 1 1 61 61 ARG H H 61 8.630 8.630 7.977 0.653 25436 8659 1 15 . 1 1 62 62 ASN N N 62 118.081 118.081 117.840 0.241 25436 8660 1 15 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.275 0.005 25436 8661 1 15 . 1 1 62 62 ASN C C 62 174.851 174.851 176.757 -1.906 25436 8662 1 15 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.244 0.208 25436 8663 1 15 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.352 0.666 25436 8664 1 15 . 1 1 62 62 ASN H H 62 7.785 7.785 8.938 -1.153 25436 8665 1 15 . 1 1 63 63 ALA N N 63 119.543 119.543 123.218 -3.675 25436 8666 1 15 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.425 -0.669 25436 8667 1 15 . 1 1 63 63 ALA C C 63 178.861 178.861 179.524 -0.663 25436 8668 1 15 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.119 -0.158 25436 8669 1 15 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.751 -0.211 25436 8670 1 15 . 1 1 63 63 ALA H H 63 6.779 6.779 7.413 -0.634 25436 8671 1 15 . 1 1 64 64 ARG N N 64 114.965 114.965 117.372 -2.407 25436 8672 1 15 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.063 -0.221 25436 8673 1 15 . 1 1 64 64 ARG C C 64 179.775 179.775 178.510 1.265 25436 8674 1 15 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.532 2.658 25436 8675 1 15 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.458 -0.145 25436 8676 1 15 . 1 1 64 64 ARG H H 64 8.755 8.755 8.452 0.303 25436 8677 1 15 . 1 1 65 65 ALA N N 65 123.704 123.704 121.725 1.979 25436 8678 1 15 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.045 0.085 25436 8679 1 15 . 1 1 65 65 ALA C C 65 179.560 179.560 178.406 1.154 25436 8680 1 15 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.779 0.200 25436 8681 1 15 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.175 -0.284 25436 8682 1 15 . 1 1 65 65 ALA H H 65 7.823 7.823 7.520 0.303 25436 8683 1 15 . 1 1 66 66 ALA N N 66 123.797 123.797 118.952 4.845 25436 8684 1 15 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.677 -1.601 25436 8685 1 15 . 1 1 66 66 ALA C C 66 179.259 179.259 179.338 -0.079 25436 8686 1 15 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.100 0.188 25436 8687 1 15 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.268 0.007 25436 8688 1 15 . 1 1 66 66 ALA H H 66 7.545 7.545 7.470 0.075 25436 8689 1 15 . 1 1 67 67 VAL N N 67 116.549 116.549 117.967 -1.418 25436 8690 1 15 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.819 -0.465 25436 8691 1 15 . 1 1 67 67 VAL C C 67 177.744 177.744 176.512 1.232 25436 8692 1 15 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.017 0.516 25436 8693 1 15 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.696 0.273 25436 8694 1 15 . 1 1 67 67 VAL H H 67 7.619 7.619 8.467 -0.848 25436 8695 1 15 . 1 1 68 68 ALA N N 68 118.193 118.193 119.721 -1.528 25436 8696 1 15 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.418 -0.291 25436 8697 1 15 . 1 1 68 68 ALA C C 68 180.748 180.748 177.880 2.868 25436 8698 1 15 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.828 1.533 25436 8699 1 15 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.301 -1.173 25436 8700 1 15 . 1 1 68 68 ALA H H 68 7.550 7.550 7.508 0.042 25436 8701 1 15 . 1 1 69 69 GLY N N 69 103.773 103.773 106.190 -2.417 25436 8702 1 15 . 1 1 69 69 GLY C C 69 175.626 175.626 175.367 0.259 25436 8703 1 15 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.391 0.735 25436 8704 1 15 . 1 1 69 69 GLY H H 69 8.140 8.140 7.450 0.690 25436 8705 1 15 . 1 1 70 70 GLU N N 70 114.547 114.547 118.250 -3.703 25436 8706 1 15 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.456 0.180 25436 8707 1 15 . 1 1 70 70 GLU C C 70 176.391 176.391 175.138 1.253 25436 8708 1 15 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.687 -0.528 25436 8709 1 15 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.404 -0.139 25436 8710 1 15 . 1 1 70 70 GLU H H 70 7.654 7.654 7.948 -0.294 25436 8711 1 15 . 1 1 71 71 ASP N N 71 118.202 118.202 120.461 -2.259 25436 8712 1 15 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.316 -0.029 25436 8713 1 15 . 1 1 71 71 ASP C C 71 178.698 178.698 177.775 0.923 25436 8714 1 15 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.130 1.401 25436 8715 1 15 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.959 0.412 25436 8716 1 15 . 1 1 71 71 ASP H H 71 8.020 8.020 7.538 0.482 25436 8717 1 15 . 1 1 72 72 GLY N N 72 114.301 114.301 114.631 -0.330 25436 8718 1 15 . 1 1 72 72 GLY C C 72 173.791 173.791 173.631 0.160 25436 8719 1 15 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.185 0.574 25436 8720 1 15 . 1 1 72 72 GLY H H 72 8.305 8.305 8.456 -0.151 25436 8721 1 15 . 1 1 73 73 ARG N N 73 121.994 121.994 118.397 3.597 25436 8722 1 15 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.547 -0.352 25436 8723 1 15 . 1 1 73 73 ARG C C 73 175.187 175.187 174.872 0.315 25436 8724 1 15 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.748 1.754 25436 8725 1 15 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.855 -0.603 25436 8726 1 15 . 1 1 73 73 ARG H H 73 7.980 7.980 7.762 0.218 25436 8727 1 15 . 1 1 74 74 MET N N 74 125.081 125.081 121.840 3.241 25436 8728 1 15 . 1 1 74 74 MET HA H 74 4.823 4.823 5.059 -0.236 25436 8729 1 15 . 1 1 74 74 MET C C 74 175.726 175.726 175.106 0.620 25436 8730 1 15 . 1 1 74 74 MET CA C 74 55.029 55.029 55.198 -0.169 25436 8731 1 15 . 1 1 74 74 MET CB C 74 33.092 33.092 34.496 -1.404 25436 8732 1 15 . 1 1 74 74 MET H H 74 8.712 8.712 8.408 0.304 25436 8733 1 15 . 1 1 75 75 ILE N N 75 127.490 127.490 125.778 1.712 25436 8734 1 15 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.485 -0.103 25436 8735 1 15 . 1 1 75 75 ILE C C 75 175.276 175.276 175.531 -0.255 25436 8736 1 15 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.859 -1.055 25436 8737 1 15 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.185 -0.790 25436 8738 1 15 . 1 1 75 75 ILE H H 75 8.589 8.589 8.903 -0.314 25436 8739 1 15 . 1 1 76 76 ALA N N 76 132.147 132.147 127.354 4.793 25436 8740 1 15 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.039 -0.001 25436 8741 1 15 . 1 1 76 76 ALA C C 76 177.205 177.205 177.652 -0.447 25436 8742 1 15 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.275 -1.341 25436 8743 1 15 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.154 -0.006 25436 8744 1 15 . 1 1 76 76 ALA H H 76 9.547 9.547 8.952 0.595 25436 8745 1 15 . 1 1 77 77 GLY N N 77 101.695 101.695 102.155 -0.460 25436 8746 1 15 . 1 1 77 77 GLY C C 77 174.205 174.205 174.033 0.172 25436 8747 1 15 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.971 0.792 25436 8748 1 15 . 1 1 77 77 GLY H H 77 8.445 8.445 8.275 0.170 25436 8749 1 15 . 1 1 78 78 GLN N N 78 119.020 119.020 117.150 1.870 25436 8750 1 15 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.699 0.030 25436 8751 1 15 . 1 1 78 78 GLN C C 78 174.046 174.046 173.662 0.384 25436 8752 1 15 . 1 1 78 78 GLN CA C 78 54.195 54.195 53.323 0.872 25436 8753 1 15 . 1 1 78 78 GLN CB C 78 31.889 31.889 31.354 0.535 25436 8754 1 15 . 1 1 78 78 GLN H H 78 7.720 7.720 7.941 -0.221 25436 8755 1 15 . 1 1 79 79 VAL N N 79 123.374 123.374 121.081 2.293 25436 8756 1 15 . 1 1 79 79 VAL HA H 79 4.012 4.012 5.027 -1.015 25436 8757 1 15 . 1 1 79 79 VAL C C 79 176.347 176.347 176.020 0.327 25436 8758 1 15 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.151 1.504 25436 8759 1 15 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.179 -1.095 25436 8760 1 15 . 1 1 79 79 VAL H H 79 8.532 8.532 8.450 0.082 25436 8761 1 15 . 1 1 80 80 LEU N N 80 128.569 128.569 121.565 7.004 25436 8762 1 15 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.934 -0.647 25436 8763 1 15 . 1 1 80 80 LEU C C 80 176.521 176.521 175.214 1.307 25436 8764 1 15 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.222 3.841 25436 8765 1 15 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.366 -0.545 25436 8766 1 15 . 1 1 80 80 LEU H H 80 9.014 9.014 8.210 0.804 25436 8767 1 15 . 1 1 81 81 ASP N N 81 124.359 124.359 122.568 1.791 25436 8768 1 15 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.165 0.060 25436 8769 1 15 . 1 1 81 81 ASP C C 81 174.659 174.659 175.394 -0.735 25436 8770 1 15 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.888 0.067 25436 8771 1 15 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.708 0.964 25436 8772 1 15 . 1 1 81 81 ASP H H 81 7.850 7.850 8.584 -0.734 25436 8773 1 15 . 1 1 82 82 ILE N N 82 123.155 123.155 126.747 -3.592 25436 8774 1 15 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.885 0.517 25436 8775 1 15 . 1 1 82 82 ILE C C 82 174.520 174.520 175.222 -0.702 25436 8776 1 15 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.143 -0.911 25436 8777 1 15 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.873 1.090 25436 8778 1 15 . 1 1 82 82 ILE H H 82 9.086 9.086 8.616 0.470 25436 8779 1 15 . 1 1 83 83 ASN N N 83 116.417 116.417 122.522 -6.105 25436 8780 1 15 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.999 -0.152 25436 8781 1 15 . 1 1 83 83 ASN C C 83 174.565 174.565 173.736 0.829 25436 8782 1 15 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.149 0.899 25436 8783 1 15 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.389 0.721 25436 8784 1 15 . 1 1 83 83 ASN H H 83 8.495 8.495 8.655 -0.160 25436 8785 1 15 . 1 1 84 84 LEU N N 84 123.786 123.786 121.322 2.464 25436 8786 1 15 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.610 0.112 25436 8787 1 15 . 1 1 84 84 LEU C C 84 180.968 180.968 178.503 2.465 25436 8788 1 15 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.604 -0.304 25436 8789 1 15 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.424 -2.108 25436 8790 1 15 . 1 1 84 84 LEU H H 84 9.427 9.427 8.803 0.624 25436 8791 1 15 . 1 1 85 85 ALA N N 85 127.571 127.571 124.999 2.572 25436 8792 1 15 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.411 -0.363 25436 8793 1 15 . 1 1 85 85 ALA C C 85 177.931 177.931 176.630 1.301 25436 8794 1 15 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.137 2.159 25436 8795 1 15 . 1 1 85 85 ALA CB C 85 17.953 17.953 18.950 -0.997 25436 8796 1 15 . 1 1 85 85 ALA H H 85 9.295 9.295 8.349 0.946 25436 8797 1 15 . 1 1 86 86 ALA N N 86 115.985 115.985 117.894 -1.909 25436 8798 1 15 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.400 0.011 25436 8799 1 15 . 1 1 86 86 ALA C C 86 176.152 176.152 176.577 -0.425 25436 8800 1 15 . 1 1 86 86 ALA CA C 86 51.772 51.772 52.037 -0.265 25436 8801 1 15 . 1 1 86 86 ALA CB C 86 19.325 19.325 18.956 0.369 25436 8802 1 15 . 1 1 86 86 ALA H H 86 8.657 8.657 8.193 0.464 25436 8803 1 15 . 1 1 87 87 GLU N N 87 118.975 118.975 119.580 -0.605 25436 8804 1 15 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.630 0.105 25436 8805 1 15 . 1 1 87 87 GLU C C 87 171.676 171.676 174.010 -2.334 25436 8806 1 15 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.331 -0.183 25436 8807 1 15 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.102 -0.186 25436 8808 1 15 . 1 1 87 87 GLU H H 87 7.913 7.913 7.865 0.048 25436 8809 1 15 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.510 -0.163 25436 8810 1 15 . 1 1 88 88 PRO C C 88 177.303 177.303 176.808 0.495 25436 8811 1 15 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.331 -0.453 25436 8812 1 15 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.439 -0.537 25436 8813 1 15 . 1 1 89 89 LYS N N 89 121.335 121.335 120.683 0.652 25436 8814 1 15 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.560 -0.320 25436 8815 1 15 . 1 1 89 89 LYS C C 89 177.689 177.689 175.981 1.708 25436 8816 1 15 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.209 0.542 25436 8817 1 15 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.395 0.041 25436 8818 1 15 . 1 1 89 89 LYS H H 89 8.020 8.020 8.511 -0.491 25436 8819 1 15 . 1 1 90 90 VAL N N 90 120.786 120.786 120.621 0.165 25436 8820 1 15 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.263 -0.341 25436 8821 1 15 . 1 1 90 90 VAL C C 90 176.169 176.169 175.778 0.391 25436 8822 1 15 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.234 2.064 25436 8823 1 15 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.563 -1.296 25436 8824 1 15 . 1 1 90 90 VAL H H 90 8.232 8.232 7.675 0.557 25436 8825 1 15 . 1 1 91 91 ASN N N 91 119.214 119.214 120.376 -1.162 25436 8826 1 15 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.665 -0.006 25436 8827 1 15 . 1 1 91 91 ASN C C 91 175.172 175.172 175.390 -0.218 25436 8828 1 15 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.380 -0.352 25436 8829 1 15 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.583 -0.414 25436 8830 1 15 . 1 1 91 91 ASN H H 91 8.453 8.453 8.632 -0.179 25436 8831 1 15 . 1 1 92 92 ARG N N 92 120.709 120.709 115.724 4.985 25436 8832 1 15 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.112 0.142 25436 8833 1 15 . 1 1 92 92 ARG C C 92 176.991 176.991 176.271 0.720 25436 8834 1 15 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.541 -0.041 25436 8835 1 15 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.151 2.456 25436 8836 1 15 . 1 1 92 92 ARG H H 92 7.925 7.925 8.219 -0.294 25436 8837 1 15 . 1 1 93 93 GLY N N 93 110.299 110.299 106.924 3.375 25436 8838 1 15 . 1 1 93 93 GLY C C 93 174.245 174.245 174.695 -0.450 25436 8839 1 15 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.877 0.539 25436 8840 1 15 . 1 1 93 93 GLY H H 93 8.593 8.593 8.274 0.319 25436 8841 1 15 . 1 1 94 94 LYS N N 94 120.781 120.781 115.611 5.170 25436 8842 1 15 . 1 1 94 94 LYS HA H 94 4.294 4.294 4.007 0.287 25436 8843 1 15 . 1 1 94 94 LYS C C 94 176.524 176.524 175.422 1.102 25436 8844 1 15 . 1 1 94 94 LYS CA C 94 56.107 56.107 58.022 -1.915 25436 8845 1 15 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.877 1.263 25436 8846 1 15 . 1 1 94 94 LYS H H 94 8.126 8.126 8.231 -0.105 25436 8847 1 15 . 1 1 95 95 ALA N N 95 125.012 125.012 116.925 8.087 25436 8848 1 15 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.832 -0.533 25436 8849 1 15 . 1 1 95 95 ALA C C 95 178.324 178.324 177.775 0.549 25436 8850 1 15 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.944 0.857 25436 8851 1 15 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.104 -0.926 25436 8852 1 15 . 1 1 95 95 ALA H H 95 8.435 8.435 7.598 0.837 25436 8853 1 15 . 1 1 96 96 GLY N N 96 108.312 108.312 107.645 0.667 25436 8854 1 15 . 1 1 96 96 GLY C C 96 174.095 174.095 175.153 -1.058 25436 8855 1 15 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.304 -1.022 25436 8856 1 15 . 1 1 96 96 GLY H H 96 8.414 8.414 8.250 0.164 25436 8857 1 15 . 1 1 97 97 VAL N N 97 119.818 119.818 117.926 1.892 25436 8858 1 15 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.063 0.009 25436 8859 1 15 . 1 1 97 97 VAL C C 97 176.155 176.155 175.701 0.454 25436 8860 1 15 . 1 1 97 97 VAL CA C 97 62.344 62.344 62.677 -0.333 25436 8861 1 15 . 1 1 97 97 VAL CB C 97 32.757 32.757 32.511 0.246 25436 8862 1 15 . 1 1 97 97 VAL H H 97 7.919 7.919 7.898 0.021 25436 8863 1 15 . 1 1 98 98 LYS N N 98 125.912 125.912 120.697 5.215 25436 8864 1 15 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.286 0.047 25436 8865 1 15 . 1 1 98 98 LYS C C 98 176.426 176.426 176.149 0.277 25436 8866 1 15 . 1 1 98 98 LYS CA C 98 56.169 56.169 56.070 0.099 25436 8867 1 15 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.851 0.197 25436 8868 1 15 . 1 1 98 98 LYS H H 98 8.466 8.466 8.122 0.344 25436 8869 1 15 . 1 1 99 99 ARG N N 99 123.544 123.544 120.452 3.092 25436 8870 1 15 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.359 0.010 25436 8871 1 15 . 1 1 99 99 ARG C C 99 176.230 176.230 176.615 -0.385 25436 8872 1 15 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.827 0.167 25436 8873 1 15 . 1 1 99 99 ARG CB C 99 31.164 31.164 30.643 0.521 25436 8874 1 15 . 1 1 99 99 ARG H H 99 8.468 8.468 8.528 -0.060 25436 8875 1 15 . 1 1 100 100 SER N N 100 117.781 117.781 115.728 2.053 25436 8876 1 15 . 1 1 100 100 SER HA H 100 4.452 4.452 4.387 0.065 25436 8877 1 15 . 1 1 100 100 SER C C 100 174.555 174.555 176.253 -1.698 25436 8878 1 15 . 1 1 100 100 SER CA C 100 58.036 58.036 57.671 0.365 25436 8879 1 15 . 1 1 100 100 SER CB C 100 64.139 64.139 63.880 0.259 25436 8880 1 15 . 1 1 100 100 SER H H 100 8.507 8.507 8.617 -0.110 25436 8881 1 15 . 1 1 101 101 ALA N N 101 126.090 126.090 127.871 -1.781 25436 8882 1 15 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.143 0.127 25436 8883 1 15 . 1 1 101 101 ALA C C 101 178.046 178.046 177.420 0.626 25436 8884 1 15 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.021 -0.751 25436 8885 1 15 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.510 0.522 25436 8886 1 15 . 1 1 101 101 ALA H H 101 8.529 8.529 8.860 -0.331 25436 8887 1 15 . 1 1 102 102 ALA N N 102 121.750 121.750 119.392 2.358 25436 8888 1 15 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.441 -0.214 25436 8889 1 15 . 1 1 102 102 ALA C C 102 178.253 178.253 177.789 0.464 25436 8890 1 15 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.697 0.298 25436 8891 1 15 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.073 -0.995 25436 8892 1 15 . 1 1 102 102 ALA H H 102 8.219 8.219 7.567 0.652 25436 8893 1 15 . 1 1 103 103 GLU N N 103 118.819 118.819 117.151 1.668 25436 8894 1 15 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.518 -0.316 25436 8895 1 15 . 1 1 103 103 GLU C C 103 176.515 176.515 177.062 -0.547 25436 8896 1 15 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.834 0.835 25436 8897 1 15 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.376 -0.214 25436 8898 1 15 . 1 1 103 103 GLU H H 103 8.100 8.100 8.034 0.066 25436 8899 1 15 . 1 1 104 104 MET N N 104 120.178 120.178 117.422 2.756 25436 8900 1 15 . 1 1 104 104 MET HA H 104 4.332 4.332 4.002 0.330 25436 8901 1 15 . 1 1 104 104 MET C C 104 175.861 175.861 176.590 -0.729 25436 8902 1 15 . 1 1 104 104 MET CA C 104 55.869 55.869 57.845 -1.976 25436 8903 1 15 . 1 1 104 104 MET CB C 104 32.993 32.993 32.711 0.283 25436 8904 1 15 . 1 1 104 104 MET H H 104 8.086 8.086 7.728 0.358 25436 8905 1 15 . 1 1 105 105 TYR N N 105 120.369 120.369 115.391 4.978 25436 8906 1 15 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.575 0.077 25436 8907 1 15 . 1 1 105 105 TYR C C 105 175.318 175.318 176.437 -1.119 25436 8908 1 15 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.678 -0.093 25436 8909 1 15 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.660 0.231 25436 8910 1 15 . 1 1 105 105 TYR H H 105 8.137 8.137 7.596 0.541 25436 8911 1 16 . 1 1 3 3 SER HA H 3 4.564 4.564 4.425 0.139 25436 8912 1 16 . 1 1 3 3 SER C C 3 173.407 173.407 175.018 -1.611 25436 8913 1 16 . 1 1 3 3 SER CA C 3 58.309 58.309 58.417 -0.108 25436 8914 1 16 . 1 1 3 3 SER CB C 3 63.980 63.980 63.310 0.670 25436 8915 1 16 . 1 1 4 4 ASN N N 4 120.204 120.204 116.622 3.582 25436 8916 1 16 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.596 0.621 25436 8917 1 16 . 1 1 4 4 ASN C C 4 176.242 176.242 173.327 2.915 25436 8918 1 16 . 1 1 4 4 ASN CA C 4 53.035 53.035 54.519 -1.484 25436 8919 1 16 . 1 1 4 4 ASN CB C 4 38.715 38.715 37.294 1.421 25436 8920 1 16 . 1 1 4 4 ASN H H 4 8.783 8.783 8.590 0.193 25436 8921 1 16 . 1 1 5 5 VAL N N 5 122.598 122.598 116.591 6.007 25436 8922 1 16 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.347 -0.577 25436 8923 1 16 . 1 1 5 5 VAL C C 5 177.222 177.222 174.472 2.750 25436 8924 1 16 . 1 1 5 5 VAL CA C 5 65.806 65.806 60.588 5.218 25436 8925 1 16 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.625 -3.770 25436 8926 1 16 . 1 1 5 5 VAL H H 5 8.326 8.326 7.510 0.816 25436 8927 1 16 . 1 1 6 6 THR N N 6 118.450 118.450 115.563 2.887 25436 8928 1 16 . 1 1 6 6 THR HA H 6 4.682 4.682 4.584 0.098 25436 8929 1 16 . 1 1 6 6 THR C C 6 174.349 174.349 173.253 1.096 25436 8930 1 16 . 1 1 6 6 THR CA C 6 60.542 60.542 61.727 -1.185 25436 8931 1 16 . 1 1 6 6 THR CB C 6 69.771 69.771 69.687 0.084 25436 8932 1 16 . 1 1 6 6 THR H H 6 9.391 9.391 8.448 0.943 25436 8933 1 16 . 1 1 7 7 ASN N N 7 120.847 120.847 119.204 1.643 25436 8934 1 16 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.500 0.055 25436 8935 1 16 . 1 1 7 7 ASN C C 7 176.863 176.863 175.732 1.131 25436 8936 1 16 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.768 -0.859 25436 8937 1 16 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.916 0.143 25436 8938 1 16 . 1 1 7 7 ASN H H 7 7.970 7.970 8.093 -0.123 25436 8939 1 16 . 1 1 8 8 LYS N N 8 121.736 121.736 119.909 1.827 25436 8940 1 16 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.366 -0.112 25436 8941 1 16 . 1 1 8 8 LYS C C 8 180.141 180.141 176.325 3.816 25436 8942 1 16 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.039 2.182 25436 8943 1 16 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.156 -0.866 25436 8944 1 16 . 1 1 8 8 LYS H H 8 8.577 8.577 8.010 0.567 25436 8945 1 16 . 1 1 9 9 THR N N 9 110.800 110.800 110.811 -0.011 25436 8946 1 16 . 1 1 9 9 THR HA H 9 4.467 4.467 4.437 0.030 25436 8947 1 16 . 1 1 9 9 THR C C 9 174.484 174.484 173.753 0.731 25436 8948 1 16 . 1 1 9 9 THR CA C 9 61.242 61.242 60.897 0.345 25436 8949 1 16 . 1 1 9 9 THR CB C 9 69.009 69.009 69.362 -0.353 25436 8950 1 16 . 1 1 9 9 THR H H 9 8.695 8.695 8.312 0.383 25436 8951 1 16 . 1 1 10 10 ASP N N 10 120.937 120.937 124.905 -3.968 25436 8952 1 16 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.869 -0.046 25436 8953 1 16 . 1 1 10 10 ASP C C 10 173.945 173.945 176.188 -2.243 25436 8954 1 16 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.480 -0.994 25436 8955 1 16 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.804 -2.254 25436 8956 1 16 . 1 1 10 10 ASP H H 10 7.908 7.908 7.681 0.228 25436 8957 1 16 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.401 -0.251 25436 8958 1 16 . 1 1 11 11 PRO C C 11 178.420 178.420 176.381 2.039 25436 8959 1 16 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.739 1.474 25436 8960 1 16 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.967 0.188 25436 8961 1 16 . 1 1 12 12 ARG N N 12 116.349 116.349 113.960 2.389 25436 8962 1 16 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.847 -0.752 25436 8963 1 16 . 1 1 12 12 ARG C C 12 180.445 180.445 176.134 4.311 25436 8964 1 16 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.139 3.432 25436 8965 1 16 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.912 -0.677 25436 8966 1 16 . 1 1 12 12 ARG H H 12 7.944 7.944 8.067 -0.123 25436 8967 1 16 . 1 1 13 13 SER N N 13 119.401 119.401 114.220 5.181 25436 8968 1 16 . 1 1 13 13 SER HA H 13 4.053 4.053 4.625 -0.572 25436 8969 1 16 . 1 1 13 13 SER C C 13 175.325 175.325 175.898 -0.573 25436 8970 1 16 . 1 1 13 13 SER CA C 13 61.500 61.500 59.570 1.930 25436 8971 1 16 . 1 1 13 13 SER CB C 13 61.798 61.798 64.339 -2.541 25436 8972 1 16 . 1 1 13 13 SER H H 13 8.152 8.152 7.652 0.499 25436 8973 1 16 . 1 1 14 14 MET N N 14 120.254 120.254 119.688 0.566 25436 8974 1 16 . 1 1 14 14 MET HA H 14 4.090 4.090 4.250 -0.160 25436 8975 1 16 . 1 1 14 14 MET C C 14 178.575 178.575 176.071 2.504 25436 8976 1 16 . 1 1 14 14 MET CA C 14 58.317 58.317 58.361 -0.044 25436 8977 1 16 . 1 1 14 14 MET CB C 14 31.466 31.466 32.972 -1.506 25436 8978 1 16 . 1 1 14 14 MET H H 14 8.241 8.241 7.870 0.371 25436 8979 1 16 . 1 1 15 15 ASN N N 15 115.299 115.299 110.112 5.187 25436 8980 1 16 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.779 -0.153 25436 8981 1 16 . 1 1 15 15 ASN C C 15 172.554 172.554 175.638 -3.084 25436 8982 1 16 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.132 0.928 25436 8983 1 16 . 1 1 15 15 ASN CB C 15 38.796 38.796 38.554 0.242 25436 8984 1 16 . 1 1 15 15 ASN H H 15 7.962 7.962 8.343 -0.381 25436 8985 1 16 . 1 1 16 16 SER N N 16 106.079 106.079 115.069 -8.990 25436 8986 1 16 . 1 1 16 16 SER HA H 16 4.500 4.500 4.715 -0.215 25436 8987 1 16 . 1 1 16 16 SER C C 16 172.120 172.120 173.758 -1.638 25436 8988 1 16 . 1 1 16 16 SER CA C 16 56.814 56.814 57.636 -0.822 25436 8989 1 16 . 1 1 16 16 SER CB C 16 63.439 63.439 63.834 -0.395 25436 8990 1 16 . 1 1 16 16 SER H H 16 7.249 7.249 7.416 -0.167 25436 8991 1 16 . 1 1 17 17 ARG N N 17 123.335 123.335 121.162 2.173 25436 8992 1 16 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.200 0.385 25436 8993 1 16 . 1 1 17 17 ARG C C 17 174.490 174.490 174.645 -0.155 25436 8994 1 16 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.741 -0.377 25436 8995 1 16 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.678 -0.820 25436 8996 1 16 . 1 1 17 17 ARG H H 17 7.400 7.400 7.407 -0.007 25436 8997 1 16 . 1 1 18 18 VAL N N 18 122.241 122.241 123.405 -1.164 25436 8998 1 16 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.651 0.066 25436 8999 1 16 . 1 1 18 18 VAL C C 18 174.862 174.862 174.322 0.540 25436 9000 1 16 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.336 -0.613 25436 9001 1 16 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.175 0.106 25436 9002 1 16 . 1 1 18 18 VAL H H 18 9.264 9.264 8.971 0.293 25436 9003 1 16 . 1 1 19 19 PHE N N 19 125.933 125.933 128.948 -3.015 25436 9004 1 16 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.397 0.069 25436 9005 1 16 . 1 1 19 19 PHE C C 19 171.966 171.966 173.320 -1.354 25436 9006 1 16 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.016 2.107 25436 9007 1 16 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.923 -0.978 25436 9008 1 16 . 1 1 19 19 PHE H H 19 9.162 9.162 9.235 -0.073 25436 9009 1 16 . 1 1 20 20 ILE N N 20 126.425 126.425 127.464 -1.039 25436 9010 1 16 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.156 -0.287 25436 9011 1 16 . 1 1 20 20 ILE C C 20 173.048 173.048 174.211 -1.163 25436 9012 1 16 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.030 -0.700 25436 9013 1 16 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.654 0.381 25436 9014 1 16 . 1 1 20 20 ILE H H 20 7.723 7.723 8.086 -0.363 25436 9015 1 16 . 1 1 21 21 GLY N N 21 113.255 113.255 111.368 1.887 25436 9016 1 16 . 1 1 21 21 GLY C C 21 173.768 173.768 174.323 -0.555 25436 9017 1 16 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.856 1.073 25436 9018 1 16 . 1 1 21 21 GLY H H 21 8.498 8.498 8.405 0.093 25436 9019 1 16 . 1 1 22 22 ASN N N 22 116.172 116.172 115.408 0.764 25436 9020 1 16 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.273 0.156 25436 9021 1 16 . 1 1 22 22 ASN C C 22 174.204 174.204 174.702 -0.498 25436 9022 1 16 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.254 -0.736 25436 9023 1 16 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.447 0.328 25436 9024 1 16 . 1 1 22 22 ASN H H 22 7.227 7.227 8.492 -1.265 25436 9025 1 16 . 1 1 23 23 LEU N N 23 119.429 119.429 119.122 0.307 25436 9026 1 16 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.280 -0.337 25436 9027 1 16 . 1 1 23 23 LEU C C 23 176.550 176.550 177.281 -0.731 25436 9028 1 16 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.643 -2.066 25436 9029 1 16 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.269 1.099 25436 9030 1 16 . 1 1 23 23 LEU H H 23 7.110 7.110 7.262 -0.152 25436 9031 1 16 . 1 1 24 24 ASN N N 24 122.292 122.292 121.989 0.303 25436 9032 1 16 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.533 0.539 25436 9033 1 16 . 1 1 24 24 ASN C C 24 175.830 175.830 176.125 -0.295 25436 9034 1 16 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.546 -4.045 25436 9035 1 16 . 1 1 24 24 ASN CB C 24 35.591 35.591 37.983 -2.392 25436 9036 1 16 . 1 1 24 24 ASN H H 24 8.975 8.975 8.898 0.077 25436 9037 1 16 . 1 1 25 25 THR N N 25 118.371 118.371 109.132 9.239 25436 9038 1 16 . 1 1 25 25 THR HA H 25 4.411 4.411 3.992 0.419 25436 9039 1 16 . 1 1 25 25 THR C C 25 175.285 175.285 174.279 1.006 25436 9040 1 16 . 1 1 25 25 THR CA C 25 63.453 63.453 63.806 -0.353 25436 9041 1 16 . 1 1 25 25 THR CB C 25 67.150 67.150 67.429 -0.279 25436 9042 1 16 . 1 1 25 25 THR H H 25 8.466 8.466 8.224 0.242 25436 9043 1 16 . 1 1 26 26 LEU N N 26 121.017 121.017 118.251 2.766 25436 9044 1 16 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.418 -0.211 25436 9045 1 16 . 1 1 26 26 LEU C C 26 178.243 178.243 176.983 1.260 25436 9046 1 16 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.824 0.915 25436 9047 1 16 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.184 -1.052 25436 9048 1 16 . 1 1 26 26 LEU H H 26 7.583 7.583 7.302 0.281 25436 9049 1 16 . 1 1 27 27 VAL N N 27 115.968 115.968 116.175 -0.207 25436 9050 1 16 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.244 -0.219 25436 9051 1 16 . 1 1 27 27 VAL C C 27 175.199 175.199 175.623 -0.424 25436 9052 1 16 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.855 0.354 25436 9053 1 16 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.943 1.239 25436 9054 1 16 . 1 1 27 27 VAL H H 27 6.846 6.846 7.828 -0.982 25436 9055 1 16 . 1 1 28 28 VAL N N 28 121.753 121.753 120.721 1.032 25436 9056 1 16 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.052 -0.185 25436 9057 1 16 . 1 1 28 28 VAL C C 28 174.351 174.351 174.777 -0.426 25436 9058 1 16 . 1 1 28 28 VAL CA C 28 63.180 63.180 61.850 1.329 25436 9059 1 16 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.329 -1.284 25436 9060 1 16 . 1 1 28 28 VAL H H 28 8.389 8.389 7.567 0.822 25436 9061 1 16 . 1 1 29 29 LYS N N 29 124.108 124.108 121.016 3.092 25436 9062 1 16 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.636 -0.008 25436 9063 1 16 . 1 1 29 29 LYS C C 29 177.958 177.958 176.800 1.158 25436 9064 1 16 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.973 -0.313 25436 9065 1 16 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.285 0.171 25436 9066 1 16 . 1 1 29 29 LYS H H 29 8.929 8.929 7.893 1.036 25436 9067 1 16 . 1 1 30 30 LYS N N 30 123.352 123.352 122.150 1.202 25436 9068 1 16 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.880 -0.217 25436 9069 1 16 . 1 1 30 30 LYS C C 30 177.638 177.638 178.013 -0.375 25436 9070 1 16 . 1 1 30 30 LYS CA C 30 61.400 61.400 60.163 1.236 25436 9071 1 16 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.059 0.597 25436 9072 1 16 . 1 1 30 30 LYS H H 30 8.994 8.994 8.819 0.175 25436 9073 1 16 . 1 1 31 31 SER N N 31 111.491 111.491 110.308 1.183 25436 9074 1 16 . 1 1 31 31 SER HA H 31 4.175 4.175 4.422 -0.247 25436 9075 1 16 . 1 1 31 31 SER C C 31 177.616 177.616 175.055 2.561 25436 9076 1 16 . 1 1 31 31 SER CA C 31 61.402 61.402 59.677 1.725 25436 9077 1 16 . 1 1 31 31 SER CB C 31 61.541 61.541 62.764 -1.223 25436 9078 1 16 . 1 1 31 31 SER H H 31 8.686 8.686 8.360 0.326 25436 9079 1 16 . 1 1 32 32 ASP N N 32 122.114 122.114 122.321 -0.207 25436 9080 1 16 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.749 -0.225 25436 9081 1 16 . 1 1 32 32 ASP C C 32 178.193 178.193 178.247 -0.054 25436 9082 1 16 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.549 0.646 25436 9083 1 16 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.636 0.177 25436 9084 1 16 . 1 1 32 32 ASP H H 32 7.147 7.147 7.837 -0.690 25436 9085 1 16 . 1 1 33 33 VAL N N 33 120.064 120.064 120.827 -0.763 25436 9086 1 16 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.888 -0.420 25436 9087 1 16 . 1 1 33 33 VAL C C 33 178.623 178.623 176.964 1.659 25436 9088 1 16 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.177 1.160 25436 9089 1 16 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.951 -0.655 25436 9090 1 16 . 1 1 33 33 VAL H H 33 7.939 7.939 8.024 -0.085 25436 9091 1 16 . 1 1 34 34 GLU N N 34 118.713 118.713 116.854 1.859 25436 9092 1 16 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.173 -0.414 25436 9093 1 16 . 1 1 34 34 GLU C C 34 178.700 178.700 176.685 2.015 25436 9094 1 16 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.811 2.692 25436 9095 1 16 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.329 0.001 25436 9096 1 16 . 1 1 34 34 GLU H H 34 8.641 8.641 8.104 0.537 25436 9097 1 16 . 1 1 35 35 ALA N N 35 121.519 121.519 120.736 0.783 25436 9098 1 16 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.618 -0.468 25436 9099 1 16 . 1 1 35 35 ALA C C 35 180.482 180.482 177.935 2.547 25436 9100 1 16 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.721 2.821 25436 9101 1 16 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.486 -2.429 25436 9102 1 16 . 1 1 35 35 ALA H H 35 7.818 7.818 7.688 0.130 25436 9103 1 16 . 1 1 36 36 ILE N N 36 117.410 117.410 117.401 0.009 25436 9104 1 16 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.142 -0.474 25436 9105 1 16 . 1 1 36 36 ILE C C 36 178.664 178.664 176.843 1.821 25436 9106 1 16 . 1 1 36 36 ILE CA C 36 64.790 64.790 63.440 1.350 25436 9107 1 16 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.588 0.197 25436 9108 1 16 . 1 1 36 36 ILE H H 36 7.778 7.778 7.684 0.094 25436 9109 1 16 . 1 1 37 37 PHE N N 37 113.502 113.502 118.357 -4.855 25436 9110 1 16 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.871 -0.508 25436 9111 1 16 . 1 1 37 37 PHE C C 37 179.622 179.622 177.533 2.089 25436 9112 1 16 . 1 1 37 37 PHE CA C 37 62.703 62.703 59.455 3.248 25436 9113 1 16 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.117 -2.933 25436 9114 1 16 . 1 1 37 37 PHE H H 37 8.587 8.587 8.035 0.552 25436 9115 1 16 . 1 1 38 38 SER N N 38 122.010 122.010 115.590 6.420 25436 9116 1 16 . 1 1 38 38 SER HA H 38 4.819 4.819 4.729 0.090 25436 9117 1 16 . 1 1 38 38 SER C C 38 175.438 175.438 175.567 -0.129 25436 9118 1 16 . 1 1 38 38 SER CA C 38 61.462 61.462 59.384 2.078 25436 9119 1 16 . 1 1 38 38 SER CB C 38 62.737 62.737 62.827 -0.090 25436 9120 1 16 . 1 1 38 38 SER H H 38 8.827 8.827 8.732 0.095 25436 9121 1 16 . 1 1 39 39 LYS N N 39 119.345 119.345 117.207 2.138 25436 9122 1 16 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.294 -0.327 25436 9123 1 16 . 1 1 39 39 LYS C C 39 177.063 177.063 176.616 0.447 25436 9124 1 16 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.329 0.930 25436 9125 1 16 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.685 -0.123 25436 9126 1 16 . 1 1 39 39 LYS H H 39 7.057 7.057 8.068 -1.011 25436 9127 1 16 . 1 1 40 40 TYR N N 40 114.420 114.420 119.307 -4.887 25436 9128 1 16 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.574 -0.293 25436 9129 1 16 . 1 1 40 40 TYR C C 40 174.841 174.841 174.429 0.412 25436 9130 1 16 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.891 0.965 25436 9131 1 16 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.422 -2.062 25436 9132 1 16 . 1 1 40 40 TYR H H 40 6.956 6.956 7.591 -0.635 25436 9133 1 16 . 1 1 41 41 GLY N N 41 106.506 106.506 105.182 1.324 25436 9134 1 16 . 1 1 41 41 GLY C C 41 170.572 170.572 172.058 -1.486 25436 9135 1 16 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.337 -0.766 25436 9136 1 16 . 1 1 41 41 GLY H H 41 7.430 7.430 7.409 0.021 25436 9137 1 16 . 1 1 42 42 LYS N N 42 117.771 117.771 121.159 -3.388 25436 9138 1 16 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.632 -0.431 25436 9139 1 16 . 1 1 42 42 LYS C C 42 176.535 176.535 176.281 0.254 25436 9140 1 16 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.472 2.660 25436 9141 1 16 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.797 0.159 25436 9142 1 16 . 1 1 42 42 LYS H H 42 8.037 8.037 8.336 -0.299 25436 9143 1 16 . 1 1 43 43 ILE N N 43 127.134 127.134 127.332 -0.198 25436 9144 1 16 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.394 -0.368 25436 9145 1 16 . 1 1 43 43 ILE C C 43 176.992 176.992 176.129 0.863 25436 9146 1 16 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.868 -0.472 25436 9147 1 16 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.571 0.296 25436 9148 1 16 . 1 1 43 43 ILE H H 43 8.720 8.720 8.623 0.097 25436 9149 1 16 . 1 1 44 44 VAL N N 44 121.988 121.988 121.177 0.811 25436 9150 1 16 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.533 -0.165 25436 9151 1 16 . 1 1 44 44 VAL C C 44 176.854 176.854 174.991 1.863 25436 9152 1 16 . 1 1 44 44 VAL CA C 44 61.885 61.885 61.054 0.831 25436 9153 1 16 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.536 -0.064 25436 9154 1 16 . 1 1 44 44 VAL H H 44 8.707 8.707 8.738 -0.031 25436 9155 1 16 . 1 1 45 45 GLY N N 45 109.497 109.497 108.109 1.388 25436 9156 1 16 . 1 1 45 45 GLY C C 45 171.265 171.265 171.956 -0.691 25436 9157 1 16 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.846 -0.829 25436 9158 1 16 . 1 1 45 45 GLY H H 45 7.541 7.541 7.555 -0.014 25436 9159 1 16 . 1 1 46 46 CYS N N 46 124.565 124.565 117.177 7.388 25436 9160 1 16 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.288 -0.277 25436 9161 1 16 . 1 1 46 46 CYS C C 46 172.072 172.072 172.466 -0.394 25436 9162 1 16 . 1 1 46 46 CYS CA C 46 57.984 57.984 56.773 1.211 25436 9163 1 16 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.525 -3.196 25436 9164 1 16 . 1 1 46 46 CYS H H 46 8.983 8.983 8.498 0.485 25436 9165 1 16 . 1 1 47 47 SER N N 47 122.911 122.911 115.683 7.228 25436 9166 1 16 . 1 1 47 47 SER HA H 47 4.906 4.906 4.826 0.080 25436 9167 1 16 . 1 1 47 47 SER C C 47 171.848 171.848 172.236 -0.388 25436 9168 1 16 . 1 1 47 47 SER CA C 47 56.487 56.487 57.183 -0.696 25436 9169 1 16 . 1 1 47 47 SER CB C 47 65.679 65.679 65.359 0.320 25436 9170 1 16 . 1 1 47 47 SER H H 47 8.568 8.568 8.857 -0.289 25436 9171 1 16 . 1 1 48 48 VAL N N 48 121.488 121.488 123.330 -1.842 25436 9172 1 16 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.177 -0.035 25436 9173 1 16 . 1 1 48 48 VAL C C 48 173.990 173.990 174.273 -0.283 25436 9174 1 16 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.855 1.392 25436 9175 1 16 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.789 -0.922 25436 9176 1 16 . 1 1 48 48 VAL H H 48 8.588 8.588 8.212 0.376 25436 9177 1 16 . 1 1 49 49 HIS N N 49 130.227 130.227 122.825 7.402 25436 9178 1 16 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.747 -0.338 25436 9179 1 16 . 1 1 49 49 HIS C C 49 173.949 173.949 173.481 0.468 25436 9180 1 16 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.122 0.544 25436 9181 1 16 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.986 -0.868 25436 9182 1 16 . 1 1 49 49 HIS H H 49 8.380 8.380 8.707 -0.327 25436 9183 1 16 . 1 1 50 50 LYS N N 50 121.171 121.171 119.514 1.657 25436 9184 1 16 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.897 0.537 25436 9185 1 16 . 1 1 50 50 LYS C C 50 175.527 175.527 177.244 -1.717 25436 9186 1 16 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.961 -1.043 25436 9187 1 16 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.478 -2.057 25436 9188 1 16 . 1 1 50 50 LYS H H 50 7.717 7.717 8.229 -0.512 25436 9189 1 16 . 1 1 51 51 GLY N N 51 113.993 113.993 111.388 2.605 25436 9190 1 16 . 1 1 51 51 GLY C C 51 174.252 174.252 173.059 1.193 25436 9191 1 16 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.265 -0.858 25436 9192 1 16 . 1 1 51 51 GLY H H 51 9.404 9.404 8.868 0.536 25436 9193 1 16 . 1 1 52 52 PHE N N 52 112.326 112.326 114.683 -2.357 25436 9194 1 16 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.578 -0.286 25436 9195 1 16 . 1 1 52 52 PHE C C 52 171.605 171.605 172.985 -1.380 25436 9196 1 16 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.425 0.829 25436 9197 1 16 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.361 -0.320 25436 9198 1 16 . 1 1 52 52 PHE H H 52 7.006 7.006 7.054 -0.048 25436 9199 1 16 . 1 1 53 53 ALA N N 53 119.722 119.722 119.180 0.542 25436 9200 1 16 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.853 -0.045 25436 9201 1 16 . 1 1 53 53 ALA C C 53 173.029 173.029 174.550 -1.521 25436 9202 1 16 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.043 -0.747 25436 9203 1 16 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.514 2.285 25436 9204 1 16 . 1 1 53 53 ALA H H 53 8.677 8.677 8.548 0.129 25436 9205 1 16 . 1 1 54 54 PHE N N 54 112.104 112.104 116.472 -4.368 25436 9206 1 16 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.567 0.013 25436 9207 1 16 . 1 1 54 54 PHE C C 54 175.794 175.794 174.226 1.568 25436 9208 1 16 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.965 -0.251 25436 9209 1 16 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.565 -0.279 25436 9210 1 16 . 1 1 54 54 PHE H H 54 8.797 8.797 9.003 -0.206 25436 9211 1 16 . 1 1 55 55 VAL N N 55 118.542 118.542 121.835 -3.293 25436 9212 1 16 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.275 -0.062 25436 9213 1 16 . 1 1 55 55 VAL C C 55 172.806 172.806 173.668 -0.862 25436 9214 1 16 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.487 0.441 25436 9215 1 16 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.378 -0.458 25436 9216 1 16 . 1 1 55 55 VAL H H 55 8.295 8.295 8.669 -0.374 25436 9217 1 16 . 1 1 56 56 GLN N N 56 128.473 128.473 126.553 1.920 25436 9218 1 16 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.697 -0.127 25436 9219 1 16 . 1 1 56 56 GLN C C 56 173.893 173.893 174.416 -0.523 25436 9220 1 16 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.943 0.321 25436 9221 1 16 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.657 1.413 25436 9222 1 16 . 1 1 56 56 GLN H H 56 9.263 9.263 8.921 0.342 25436 9223 1 16 . 1 1 57 57 TYR N N 57 127.679 127.679 125.580 2.099 25436 9224 1 16 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.218 0.069 25436 9225 1 16 . 1 1 57 57 TYR C C 57 175.609 175.609 176.652 -1.043 25436 9226 1 16 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.575 1.093 25436 9227 1 16 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.120 -0.085 25436 9228 1 16 . 1 1 57 57 TYR H H 57 8.928 8.928 8.810 0.118 25436 9229 1 16 . 1 1 58 58 VAL N N 58 116.710 116.710 118.391 -1.681 25436 9230 1 16 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.985 0.130 25436 9231 1 16 . 1 1 58 58 VAL C C 58 175.859 175.859 175.020 0.839 25436 9232 1 16 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.208 -0.150 25436 9233 1 16 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.453 0.561 25436 9234 1 16 . 1 1 58 58 VAL H H 58 9.479 9.479 8.637 0.842 25436 9235 1 16 . 1 1 59 59 ASN N N 59 112.455 112.455 113.997 -1.542 25436 9236 1 16 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.867 0.292 25436 9237 1 16 . 1 1 59 59 ASN C C 59 174.482 174.482 175.867 -1.385 25436 9238 1 16 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.644 0.298 25436 9239 1 16 . 1 1 59 59 ASN CB C 59 42.192 42.192 39.693 2.499 25436 9240 1 16 . 1 1 59 59 ASN H H 59 7.218 7.218 7.445 -0.227 25436 9241 1 16 . 1 1 60 60 GLU N N 60 124.337 124.337 121.959 2.378 25436 9242 1 16 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.231 0.088 25436 9243 1 16 . 1 1 60 60 GLU C C 60 178.201 178.201 177.947 0.254 25436 9244 1 16 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.822 -1.082 25436 9245 1 16 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.902 0.455 25436 9246 1 16 . 1 1 60 60 GLU H H 60 8.808 8.808 8.966 -0.158 25436 9247 1 16 . 1 1 61 61 ARG N N 61 118.265 118.265 119.615 -1.350 25436 9248 1 16 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.032 -0.035 25436 9249 1 16 . 1 1 61 61 ARG C C 61 179.340 179.340 178.630 0.710 25436 9250 1 16 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.638 0.841 25436 9251 1 16 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.309 0.045 25436 9252 1 16 . 1 1 61 61 ARG H H 61 8.630 8.630 7.980 0.650 25436 9253 1 16 . 1 1 62 62 ASN N N 62 118.081 118.081 117.828 0.253 25436 9254 1 16 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.272 0.008 25436 9255 1 16 . 1 1 62 62 ASN C C 62 174.851 174.851 176.626 -1.775 25436 9256 1 16 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.215 0.237 25436 9257 1 16 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.303 0.715 25436 9258 1 16 . 1 1 62 62 ASN H H 62 7.785 7.785 9.031 -1.246 25436 9259 1 16 . 1 1 63 63 ALA N N 63 119.543 119.543 123.085 -3.542 25436 9260 1 16 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.481 -0.725 25436 9261 1 16 . 1 1 63 63 ALA C C 63 178.861 178.861 179.553 -0.692 25436 9262 1 16 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.033 -0.073 25436 9263 1 16 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.791 -0.251 25436 9264 1 16 . 1 1 63 63 ALA H H 63 6.779 6.779 7.308 -0.529 25436 9265 1 16 . 1 1 64 64 ARG N N 64 114.965 114.965 117.374 -2.409 25436 9266 1 16 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.076 -0.234 25436 9267 1 16 . 1 1 64 64 ARG C C 64 179.775 179.775 178.530 1.245 25436 9268 1 16 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.510 2.680 25436 9269 1 16 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.433 -0.121 25436 9270 1 16 . 1 1 64 64 ARG H H 64 8.755 8.755 8.328 0.427 25436 9271 1 16 . 1 1 65 65 ALA N N 65 123.704 123.704 121.827 1.877 25436 9272 1 16 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.163 -0.033 25436 9273 1 16 . 1 1 65 65 ALA C C 65 179.560 179.560 178.509 1.051 25436 9274 1 16 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.858 0.120 25436 9275 1 16 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.288 -0.396 25436 9276 1 16 . 1 1 65 65 ALA H H 65 7.823 7.823 7.550 0.273 25436 9277 1 16 . 1 1 66 66 ALA N N 66 123.797 123.797 118.921 4.876 25436 9278 1 16 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.488 -1.412 25436 9279 1 16 . 1 1 66 66 ALA C C 66 179.259 179.259 179.319 -0.060 25436 9280 1 16 . 1 1 66 66 ALA CA C 66 54.288 54.288 53.986 0.302 25436 9281 1 16 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.174 0.101 25436 9282 1 16 . 1 1 66 66 ALA H H 66 7.545 7.545 7.475 0.070 25436 9283 1 16 . 1 1 67 67 VAL N N 67 116.549 116.549 118.062 -1.513 25436 9284 1 16 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.807 -0.453 25436 9285 1 16 . 1 1 67 67 VAL C C 67 177.744 177.744 176.490 1.254 25436 9286 1 16 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.029 0.504 25436 9287 1 16 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.677 0.292 25436 9288 1 16 . 1 1 67 67 VAL H H 67 7.619 7.619 8.482 -0.863 25436 9289 1 16 . 1 1 68 68 ALA N N 68 118.193 118.193 119.313 -1.120 25436 9290 1 16 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.463 -0.336 25436 9291 1 16 . 1 1 68 68 ALA C C 68 180.748 180.748 177.949 2.799 25436 9292 1 16 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.773 1.588 25436 9293 1 16 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.354 -1.226 25436 9294 1 16 . 1 1 68 68 ALA H H 68 7.550 7.550 7.459 0.091 25436 9295 1 16 . 1 1 69 69 GLY N N 69 103.773 103.773 107.371 -3.598 25436 9296 1 16 . 1 1 69 69 GLY C C 69 175.626 175.626 175.161 0.465 25436 9297 1 16 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.563 0.563 25436 9298 1 16 . 1 1 69 69 GLY H H 69 8.140 8.140 7.476 0.664 25436 9299 1 16 . 1 1 70 70 GLU N N 70 114.547 114.547 118.458 -3.911 25436 9300 1 16 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.397 0.239 25436 9301 1 16 . 1 1 70 70 GLU C C 70 176.391 176.391 175.240 1.151 25436 9302 1 16 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.494 -0.335 25436 9303 1 16 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.007 0.258 25436 9304 1 16 . 1 1 70 70 GLU H H 70 7.654 7.654 7.820 -0.166 25436 9305 1 16 . 1 1 71 71 ASP N N 71 118.202 118.202 120.299 -2.097 25436 9306 1 16 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.312 -0.025 25436 9307 1 16 . 1 1 71 71 ASP C C 71 178.698 178.698 177.759 0.939 25436 9308 1 16 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.032 1.499 25436 9309 1 16 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.955 0.416 25436 9310 1 16 . 1 1 71 71 ASP H H 71 8.020 8.020 7.520 0.500 25436 9311 1 16 . 1 1 72 72 GLY N N 72 114.301 114.301 114.658 -0.357 25436 9312 1 16 . 1 1 72 72 GLY C C 72 173.791 173.791 173.635 0.156 25436 9313 1 16 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.186 0.573 25436 9314 1 16 . 1 1 72 72 GLY H H 72 8.305 8.305 8.448 -0.143 25436 9315 1 16 . 1 1 73 73 ARG N N 73 121.994 121.994 118.450 3.544 25436 9316 1 16 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.541 -0.346 25436 9317 1 16 . 1 1 73 73 ARG C C 73 175.187 175.187 174.886 0.301 25436 9318 1 16 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.787 1.715 25436 9319 1 16 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.823 -0.571 25436 9320 1 16 . 1 1 73 73 ARG H H 73 7.980 7.980 7.757 0.223 25436 9321 1 16 . 1 1 74 74 MET N N 74 125.081 125.081 121.912 3.169 25436 9322 1 16 . 1 1 74 74 MET HA H 74 4.823 4.823 5.141 -0.318 25436 9323 1 16 . 1 1 74 74 MET C C 74 175.726 175.726 175.118 0.608 25436 9324 1 16 . 1 1 74 74 MET CA C 74 55.029 55.029 55.153 -0.124 25436 9325 1 16 . 1 1 74 74 MET CB C 74 33.092 33.092 34.622 -1.530 25436 9326 1 16 . 1 1 74 74 MET H H 74 8.712 8.712 8.408 0.304 25436 9327 1 16 . 1 1 75 75 ILE N N 75 127.490 127.490 125.408 2.082 25436 9328 1 16 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.487 -0.105 25436 9329 1 16 . 1 1 75 75 ILE C C 75 175.276 175.276 175.498 -0.222 25436 9330 1 16 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.854 -1.050 25436 9331 1 16 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.216 -0.820 25436 9332 1 16 . 1 1 75 75 ILE H H 75 8.589 8.589 8.953 -0.364 25436 9333 1 16 . 1 1 76 76 ALA N N 76 132.147 132.147 127.483 4.664 25436 9334 1 16 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.038 0.000 25436 9335 1 16 . 1 1 76 76 ALA C C 76 177.205 177.205 177.771 -0.566 25436 9336 1 16 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.095 -1.161 25436 9337 1 16 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.012 0.136 25436 9338 1 16 . 1 1 76 76 ALA H H 76 9.547 9.547 8.969 0.578 25436 9339 1 16 . 1 1 77 77 GLY N N 77 101.695 101.695 101.890 -0.195 25436 9340 1 16 . 1 1 77 77 GLY C C 77 174.205 174.205 174.160 0.045 25436 9341 1 16 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.959 0.804 25436 9342 1 16 . 1 1 77 77 GLY H H 77 8.445 8.445 8.334 0.111 25436 9343 1 16 . 1 1 78 78 GLN N N 78 119.020 119.020 118.723 0.297 25436 9344 1 16 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.722 0.007 25436 9345 1 16 . 1 1 78 78 GLN C C 78 174.046 174.046 174.263 -0.217 25436 9346 1 16 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.177 0.018 25436 9347 1 16 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.766 -0.876 25436 9348 1 16 . 1 1 78 78 GLN H H 78 7.720 7.720 7.855 -0.135 25436 9349 1 16 . 1 1 79 79 VAL N N 79 123.374 123.374 121.690 1.684 25436 9350 1 16 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.964 -0.952 25436 9351 1 16 . 1 1 79 79 VAL C C 79 176.347 176.347 175.642 0.705 25436 9352 1 16 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.266 1.389 25436 9353 1 16 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.074 -0.990 25436 9354 1 16 . 1 1 79 79 VAL H H 79 8.532 8.532 8.400 0.132 25436 9355 1 16 . 1 1 80 80 LEU N N 80 128.569 128.569 122.640 5.929 25436 9356 1 16 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.923 -0.636 25436 9357 1 16 . 1 1 80 80 LEU C C 80 176.521 176.521 175.255 1.266 25436 9358 1 16 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.185 3.878 25436 9359 1 16 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.063 -0.242 25436 9360 1 16 . 1 1 80 80 LEU H H 80 9.014 9.014 8.211 0.803 25436 9361 1 16 . 1 1 81 81 ASP N N 81 124.359 124.359 122.725 1.634 25436 9362 1 16 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.151 0.074 25436 9363 1 16 . 1 1 81 81 ASP C C 81 174.659 174.659 175.395 -0.736 25436 9364 1 16 . 1 1 81 81 ASP CA C 81 52.955 52.955 53.103 -0.148 25436 9365 1 16 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.742 0.930 25436 9366 1 16 . 1 1 81 81 ASP H H 81 7.850 7.850 8.353 -0.503 25436 9367 1 16 . 1 1 82 82 ILE N N 82 123.155 123.155 126.579 -3.424 25436 9368 1 16 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.980 0.422 25436 9369 1 16 . 1 1 82 82 ILE C C 82 174.520 174.520 175.275 -0.755 25436 9370 1 16 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.124 -0.892 25436 9371 1 16 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.729 1.234 25436 9372 1 16 . 1 1 82 82 ILE H H 82 9.086 9.086 8.657 0.429 25436 9373 1 16 . 1 1 83 83 ASN N N 83 116.417 116.417 122.660 -6.243 25436 9374 1 16 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.998 -0.151 25436 9375 1 16 . 1 1 83 83 ASN C C 83 174.565 174.565 173.726 0.839 25436 9376 1 16 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.090 0.958 25436 9377 1 16 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.406 0.704 25436 9378 1 16 . 1 1 83 83 ASN H H 83 8.495 8.495 8.580 -0.085 25436 9379 1 16 . 1 1 84 84 LEU N N 84 123.786 123.786 121.690 2.096 25436 9380 1 16 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.578 0.144 25436 9381 1 16 . 1 1 84 84 LEU C C 84 180.968 180.968 178.445 2.523 25436 9382 1 16 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.670 -0.370 25436 9383 1 16 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.421 -2.105 25436 9384 1 16 . 1 1 84 84 LEU H H 84 9.427 9.427 8.801 0.626 25436 9385 1 16 . 1 1 85 85 ALA N N 85 127.571 127.571 126.116 1.455 25436 9386 1 16 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.387 -0.339 25436 9387 1 16 . 1 1 85 85 ALA C C 85 177.931 177.931 176.705 1.226 25436 9388 1 16 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.074 2.222 25436 9389 1 16 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.017 -1.064 25436 9390 1 16 . 1 1 85 85 ALA H H 85 9.295 9.295 8.361 0.934 25436 9391 1 16 . 1 1 86 86 ALA N N 86 115.985 115.985 117.601 -1.616 25436 9392 1 16 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.424 -0.013 25436 9393 1 16 . 1 1 86 86 ALA C C 86 176.152 176.152 176.610 -0.458 25436 9394 1 16 . 1 1 86 86 ALA CA C 86 51.772 51.772 52.027 -0.255 25436 9395 1 16 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.338 -0.013 25436 9396 1 16 . 1 1 86 86 ALA H H 86 8.657 8.657 8.220 0.437 25436 9397 1 16 . 1 1 87 87 GLU N N 87 118.975 118.975 119.658 -0.683 25436 9398 1 16 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.582 0.153 25436 9399 1 16 . 1 1 87 87 GLU C C 87 171.676 171.676 173.858 -2.182 25436 9400 1 16 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.671 -0.523 25436 9401 1 16 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.101 -0.185 25436 9402 1 16 . 1 1 87 87 GLU H H 87 7.913 7.913 7.832 0.081 25436 9403 1 16 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.463 -0.116 25436 9404 1 16 . 1 1 88 88 PRO C C 88 177.303 177.303 176.529 0.774 25436 9405 1 16 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.371 -0.493 25436 9406 1 16 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.619 -0.717 25436 9407 1 16 . 1 1 89 89 LYS N N 89 121.335 121.335 121.282 0.053 25436 9408 1 16 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.391 -0.151 25436 9409 1 16 . 1 1 89 89 LYS C C 89 177.689 177.689 175.848 1.841 25436 9410 1 16 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.710 0.041 25436 9411 1 16 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.616 -0.180 25436 9412 1 16 . 1 1 89 89 LYS H H 89 8.020 8.020 8.411 -0.391 25436 9413 1 16 . 1 1 90 90 VAL N N 90 120.786 120.786 119.239 1.547 25436 9414 1 16 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.152 -0.230 25436 9415 1 16 . 1 1 90 90 VAL C C 90 176.169 176.169 175.746 0.423 25436 9416 1 16 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.085 2.213 25436 9417 1 16 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.223 -0.956 25436 9418 1 16 . 1 1 90 90 VAL H H 90 8.232 8.232 7.626 0.606 25436 9419 1 16 . 1 1 91 91 ASN N N 91 119.214 119.214 122.812 -3.598 25436 9420 1 16 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.615 0.044 25436 9421 1 16 . 1 1 91 91 ASN C C 91 175.172 175.172 175.190 -0.018 25436 9422 1 16 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.574 -0.546 25436 9423 1 16 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.480 -0.311 25436 9424 1 16 . 1 1 91 91 ASN H H 91 8.453 8.453 8.750 -0.297 25436 9425 1 16 . 1 1 92 92 ARG N N 92 120.709 120.709 116.426 4.283 25436 9426 1 16 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.069 0.185 25436 9427 1 16 . 1 1 92 92 ARG C C 92 176.991 176.991 176.473 0.518 25436 9428 1 16 . 1 1 92 92 ARG CA C 92 56.500 56.500 57.049 -0.549 25436 9429 1 16 . 1 1 92 92 ARG CB C 92 30.607 30.607 27.958 2.649 25436 9430 1 16 . 1 1 92 92 ARG H H 92 7.925 7.925 8.358 -0.433 25436 9431 1 16 . 1 1 93 93 GLY N N 93 110.299 110.299 106.430 3.869 25436 9432 1 16 . 1 1 93 93 GLY C C 93 174.245 174.245 174.677 -0.432 25436 9433 1 16 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.820 0.596 25436 9434 1 16 . 1 1 93 93 GLY H H 93 8.593 8.593 8.762 -0.169 25436 9435 1 16 . 1 1 94 94 LYS N N 94 120.781 120.781 115.692 5.089 25436 9436 1 16 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.946 0.348 25436 9437 1 16 . 1 1 94 94 LYS C C 94 176.524 176.524 174.714 1.810 25436 9438 1 16 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.649 -1.542 25436 9439 1 16 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.718 1.422 25436 9440 1 16 . 1 1 94 94 LYS H H 94 8.126 8.126 8.250 -0.124 25436 9441 1 16 . 1 1 95 95 ALA N N 95 125.012 125.012 118.124 6.888 25436 9442 1 16 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.808 -0.509 25436 9443 1 16 . 1 1 95 95 ALA C C 95 178.324 178.324 177.911 0.413 25436 9444 1 16 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.313 1.488 25436 9445 1 16 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.667 -1.489 25436 9446 1 16 . 1 1 95 95 ALA H H 95 8.435 8.435 7.313 1.122 25436 9447 1 16 . 1 1 96 96 GLY N N 96 108.312 108.312 107.900 0.412 25436 9448 1 16 . 1 1 96 96 GLY C C 96 174.095 174.095 175.084 -0.989 25436 9449 1 16 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.013 -0.731 25436 9450 1 16 . 1 1 96 96 GLY H H 96 8.414 8.414 8.952 -0.538 25436 9451 1 16 . 1 1 97 97 VAL N N 97 119.818 119.818 119.165 0.653 25436 9452 1 16 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.069 0.003 25436 9453 1 16 . 1 1 97 97 VAL C C 97 176.155 176.155 175.930 0.225 25436 9454 1 16 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.044 -0.700 25436 9455 1 16 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.722 1.035 25436 9456 1 16 . 1 1 97 97 VAL H H 97 7.919 7.919 7.605 0.314 25436 9457 1 16 . 1 1 98 98 LYS N N 98 125.912 125.912 120.796 5.116 25436 9458 1 16 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.298 0.035 25436 9459 1 16 . 1 1 98 98 LYS C C 98 176.426 176.426 176.181 0.245 25436 9460 1 16 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.987 0.181 25436 9461 1 16 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.751 0.297 25436 9462 1 16 . 1 1 98 98 LYS H H 98 8.466 8.466 7.361 1.105 25436 9463 1 16 . 1 1 99 99 ARG N N 99 123.544 123.544 121.295 2.249 25436 9464 1 16 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.442 -0.073 25436 9465 1 16 . 1 1 99 99 ARG C C 99 176.230 176.230 176.171 0.059 25436 9466 1 16 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.513 0.481 25436 9467 1 16 . 1 1 99 99 ARG CB C 99 31.164 31.164 30.957 0.206 25436 9468 1 16 . 1 1 99 99 ARG H H 99 8.468 8.468 8.468 -0.000 25436 9469 1 16 . 1 1 100 100 SER N N 100 117.781 117.781 115.459 2.322 25436 9470 1 16 . 1 1 100 100 SER HA H 100 4.452 4.452 4.538 -0.086 25436 9471 1 16 . 1 1 100 100 SER C C 100 174.555 174.555 176.099 -1.544 25436 9472 1 16 . 1 1 100 100 SER CA C 100 58.036 58.036 57.804 0.232 25436 9473 1 16 . 1 1 100 100 SER CB C 100 64.139 64.139 64.098 0.041 25436 9474 1 16 . 1 1 100 100 SER H H 100 8.507 8.507 8.446 0.061 25436 9475 1 16 . 1 1 101 101 ALA N N 101 126.090 126.090 128.428 -2.338 25436 9476 1 16 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.254 0.016 25436 9477 1 16 . 1 1 101 101 ALA C C 101 178.046 178.046 177.322 0.724 25436 9478 1 16 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.733 -0.462 25436 9479 1 16 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.369 0.663 25436 9480 1 16 . 1 1 101 101 ALA H H 101 8.529 8.529 8.632 -0.103 25436 9481 1 16 . 1 1 102 102 ALA N N 102 121.750 121.750 119.240 2.510 25436 9482 1 16 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.352 -0.125 25436 9483 1 16 . 1 1 102 102 ALA C C 102 178.253 178.253 177.648 0.605 25436 9484 1 16 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.511 0.484 25436 9485 1 16 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.006 -0.928 25436 9486 1 16 . 1 1 102 102 ALA H H 102 8.219 8.219 7.456 0.763 25436 9487 1 16 . 1 1 103 103 GLU N N 103 118.819 118.819 117.104 1.715 25436 9488 1 16 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.430 -0.228 25436 9489 1 16 . 1 1 103 103 GLU C C 103 176.515 176.515 175.917 0.598 25436 9490 1 16 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.448 1.221 25436 9491 1 16 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.963 -0.801 25436 9492 1 16 . 1 1 103 103 GLU H H 103 8.100 8.100 8.022 0.078 25436 9493 1 16 . 1 1 104 104 MET N N 104 120.178 120.178 120.004 0.174 25436 9494 1 16 . 1 1 104 104 MET HA H 104 4.332 4.332 4.104 0.228 25436 9495 1 16 . 1 1 104 104 MET C C 104 175.861 175.861 176.364 -0.503 25436 9496 1 16 . 1 1 104 104 MET CA C 104 55.869 55.869 54.559 1.310 25436 9497 1 16 . 1 1 104 104 MET CB C 104 32.993 32.993 33.737 -0.744 25436 9498 1 16 . 1 1 104 104 MET H H 104 8.086 8.086 7.679 0.407 25436 9499 1 16 . 1 1 105 105 TYR N N 105 120.369 120.369 121.231 -0.862 25436 9500 1 16 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.401 0.251 25436 9501 1 16 . 1 1 105 105 TYR C C 105 175.318 175.318 177.341 -2.023 25436 9502 1 16 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.138 -0.553 25436 9503 1 16 . 1 1 105 105 TYR CB C 105 38.891 38.891 37.981 0.910 25436 9504 1 16 . 1 1 105 105 TYR H H 105 8.137 8.137 8.237 -0.100 25436 9505 1 17 . 1 1 3 3 SER HA H 3 4.564 4.564 4.428 0.136 25436 9506 1 17 . 1 1 3 3 SER C C 3 173.407 173.407 174.306 -0.899 25436 9507 1 17 . 1 1 3 3 SER CA C 3 58.309 58.309 58.084 0.225 25436 9508 1 17 . 1 1 3 3 SER CB C 3 63.980 63.980 63.541 0.439 25436 9509 1 17 . 1 1 4 4 ASN N N 4 120.204 120.204 117.827 2.377 25436 9510 1 17 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.090 0.127 25436 9511 1 17 . 1 1 4 4 ASN C C 4 176.242 176.242 174.395 1.847 25436 9512 1 17 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.390 0.645 25436 9513 1 17 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.816 -0.101 25436 9514 1 17 . 1 1 4 4 ASN H H 4 8.783 8.783 8.660 0.123 25436 9515 1 17 . 1 1 5 5 VAL N N 5 122.598 122.598 119.426 3.172 25436 9516 1 17 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.330 -0.560 25436 9517 1 17 . 1 1 5 5 VAL C C 5 177.222 177.222 174.616 2.606 25436 9518 1 17 . 1 1 5 5 VAL CA C 5 65.806 65.806 60.798 5.008 25436 9519 1 17 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.694 -3.839 25436 9520 1 17 . 1 1 5 5 VAL H H 5 8.326 8.326 7.380 0.946 25436 9521 1 17 . 1 1 6 6 THR N N 6 118.450 118.450 118.878 -0.428 25436 9522 1 17 . 1 1 6 6 THR HA H 6 4.682 4.682 4.467 0.215 25436 9523 1 17 . 1 1 6 6 THR C C 6 174.349 174.349 173.745 0.604 25436 9524 1 17 . 1 1 6 6 THR CA C 6 60.542 60.542 61.777 -1.235 25436 9525 1 17 . 1 1 6 6 THR CB C 6 69.771 69.771 69.614 0.158 25436 9526 1 17 . 1 1 6 6 THR H H 6 9.391 9.391 8.247 1.144 25436 9527 1 17 . 1 1 7 7 ASN N N 7 120.847 120.847 119.726 1.121 25436 9528 1 17 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.503 0.052 25436 9529 1 17 . 1 1 7 7 ASN C C 7 176.863 176.863 175.051 1.812 25436 9530 1 17 . 1 1 7 7 ASN CA C 7 51.909 51.909 53.218 -1.309 25436 9531 1 17 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.840 0.219 25436 9532 1 17 . 1 1 7 7 ASN H H 7 7.970 7.970 8.004 -0.034 25436 9533 1 17 . 1 1 8 8 LYS N N 8 121.736 121.736 118.980 2.756 25436 9534 1 17 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.328 -0.074 25436 9535 1 17 . 1 1 8 8 LYS C C 8 180.141 180.141 176.594 3.547 25436 9536 1 17 . 1 1 8 8 LYS CA C 8 58.221 58.221 55.597 2.623 25436 9537 1 17 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.120 -0.830 25436 9538 1 17 . 1 1 8 8 LYS H H 8 8.577 8.577 8.000 0.577 25436 9539 1 17 . 1 1 9 9 THR N N 9 110.800 110.800 111.794 -0.994 25436 9540 1 17 . 1 1 9 9 THR HA H 9 4.467 4.467 4.367 0.100 25436 9541 1 17 . 1 1 9 9 THR C C 9 174.484 174.484 173.507 0.977 25436 9542 1 17 . 1 1 9 9 THR CA C 9 61.242 61.242 60.916 0.326 25436 9543 1 17 . 1 1 9 9 THR CB C 9 69.009 69.009 69.753 -0.744 25436 9544 1 17 . 1 1 9 9 THR H H 9 8.695 8.695 8.360 0.335 25436 9545 1 17 . 1 1 10 10 ASP N N 10 120.937 120.937 124.232 -3.295 25436 9546 1 17 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.797 0.026 25436 9547 1 17 . 1 1 10 10 ASP C C 10 173.945 173.945 175.530 -1.585 25436 9548 1 17 . 1 1 10 10 ASP CA C 10 52.486 52.486 54.217 -1.731 25436 9549 1 17 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.674 -2.124 25436 9550 1 17 . 1 1 10 10 ASP H H 10 7.908 7.908 7.876 0.032 25436 9551 1 17 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.376 -0.226 25436 9552 1 17 . 1 1 11 11 PRO C C 11 178.420 178.420 176.485 1.935 25436 9553 1 17 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.716 1.497 25436 9554 1 17 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.899 0.256 25436 9555 1 17 . 1 1 12 12 ARG N N 12 116.349 116.349 112.286 4.063 25436 9556 1 17 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.779 -0.684 25436 9557 1 17 . 1 1 12 12 ARG C C 12 180.445 180.445 176.321 4.124 25436 9558 1 17 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.280 3.291 25436 9559 1 17 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.952 -0.717 25436 9560 1 17 . 1 1 12 12 ARG H H 12 7.944 7.944 8.054 -0.110 25436 9561 1 17 . 1 1 13 13 SER N N 13 119.401 119.401 115.098 4.303 25436 9562 1 17 . 1 1 13 13 SER HA H 13 4.053 4.053 4.733 -0.680 25436 9563 1 17 . 1 1 13 13 SER C C 13 175.325 175.325 175.439 -0.114 25436 9564 1 17 . 1 1 13 13 SER CA C 13 61.500 61.500 59.222 2.277 25436 9565 1 17 . 1 1 13 13 SER CB C 13 61.798 61.798 64.076 -2.278 25436 9566 1 17 . 1 1 13 13 SER H H 13 8.152 8.152 7.779 0.373 25436 9567 1 17 . 1 1 14 14 MET N N 14 120.254 120.254 117.412 2.842 25436 9568 1 17 . 1 1 14 14 MET HA H 14 4.090 4.090 4.273 -0.183 25436 9569 1 17 . 1 1 14 14 MET C C 14 178.575 178.575 175.520 3.055 25436 9570 1 17 . 1 1 14 14 MET CA C 14 58.317 58.317 57.593 0.724 25436 9571 1 17 . 1 1 14 14 MET CB C 14 31.466 31.466 33.005 -1.539 25436 9572 1 17 . 1 1 14 14 MET H H 14 8.241 8.241 8.005 0.236 25436 9573 1 17 . 1 1 15 15 ASN N N 15 115.299 115.299 110.560 4.739 25436 9574 1 17 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.780 -0.154 25436 9575 1 17 . 1 1 15 15 ASN C C 15 172.554 172.554 175.613 -3.059 25436 9576 1 17 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.038 1.022 25436 9577 1 17 . 1 1 15 15 ASN CB C 15 38.796 38.796 38.961 -0.165 25436 9578 1 17 . 1 1 15 15 ASN H H 15 7.962 7.962 8.268 -0.306 25436 9579 1 17 . 1 1 16 16 SER N N 16 106.079 106.079 113.332 -7.253 25436 9580 1 17 . 1 1 16 16 SER HA H 16 4.500 4.500 4.707 -0.207 25436 9581 1 17 . 1 1 16 16 SER C C 16 172.120 172.120 174.227 -2.107 25436 9582 1 17 . 1 1 16 16 SER CA C 16 56.814 56.814 58.014 -1.200 25436 9583 1 17 . 1 1 16 16 SER CB C 16 63.439 63.439 63.482 -0.043 25436 9584 1 17 . 1 1 16 16 SER H H 16 7.249 7.249 8.106 -0.857 25436 9585 1 17 . 1 1 17 17 ARG N N 17 123.335 123.335 120.704 2.631 25436 9586 1 17 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.250 0.335 25436 9587 1 17 . 1 1 17 17 ARG C C 17 174.490 174.490 174.980 -0.490 25436 9588 1 17 . 1 1 17 17 ARG CA C 17 54.364 54.364 55.351 -0.987 25436 9589 1 17 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.910 -1.052 25436 9590 1 17 . 1 1 17 17 ARG H H 17 7.400 7.400 7.488 -0.088 25436 9591 1 17 . 1 1 18 18 VAL N N 18 122.241 122.241 118.219 4.022 25436 9592 1 17 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.649 0.068 25436 9593 1 17 . 1 1 18 18 VAL C C 18 174.862 174.862 174.555 0.307 25436 9594 1 17 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.589 -0.866 25436 9595 1 17 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.539 -0.258 25436 9596 1 17 . 1 1 18 18 VAL H H 18 9.264 9.264 8.498 0.766 25436 9597 1 17 . 1 1 19 19 PHE N N 19 125.933 125.933 128.931 -2.998 25436 9598 1 17 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.514 -0.048 25436 9599 1 17 . 1 1 19 19 PHE C C 19 171.966 171.966 173.584 -1.618 25436 9600 1 17 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.153 1.970 25436 9601 1 17 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.818 -0.873 25436 9602 1 17 . 1 1 19 19 PHE H H 19 9.162 9.162 9.298 -0.136 25436 9603 1 17 . 1 1 20 20 ILE N N 20 126.425 126.425 127.445 -1.020 25436 9604 1 17 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.126 -0.257 25436 9605 1 17 . 1 1 20 20 ILE C C 20 173.048 173.048 174.276 -1.228 25436 9606 1 17 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.029 -0.699 25436 9607 1 17 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.575 0.460 25436 9608 1 17 . 1 1 20 20 ILE H H 20 7.723 7.723 8.044 -0.321 25436 9609 1 17 . 1 1 21 21 GLY N N 21 113.255 113.255 111.088 2.167 25436 9610 1 17 . 1 1 21 21 GLY C C 21 173.768 173.768 174.345 -0.577 25436 9611 1 17 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.084 0.846 25436 9612 1 17 . 1 1 21 21 GLY H H 21 8.498 8.498 8.310 0.188 25436 9613 1 17 . 1 1 22 22 ASN N N 22 116.172 116.172 115.446 0.726 25436 9614 1 17 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.284 0.145 25436 9615 1 17 . 1 1 22 22 ASN C C 22 174.204 174.204 174.635 -0.431 25436 9616 1 17 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.195 -0.677 25436 9617 1 17 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.417 0.358 25436 9618 1 17 . 1 1 22 22 ASN H H 22 7.227 7.227 8.439 -1.212 25436 9619 1 17 . 1 1 23 23 LEU N N 23 119.429 119.429 119.145 0.284 25436 9620 1 17 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.301 -0.358 25436 9621 1 17 . 1 1 23 23 LEU C C 23 176.550 176.550 177.332 -0.782 25436 9622 1 17 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.547 -1.970 25436 9623 1 17 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.370 0.998 25436 9624 1 17 . 1 1 23 23 LEU H H 23 7.110 7.110 7.474 -0.364 25436 9625 1 17 . 1 1 24 24 ASN N N 24 122.292 122.292 122.104 0.188 25436 9626 1 17 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.549 0.523 25436 9627 1 17 . 1 1 24 24 ASN C C 24 175.830 175.830 175.772 0.058 25436 9628 1 17 . 1 1 24 24 ASN CA C 24 51.501 51.501 55.459 -3.958 25436 9629 1 17 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.226 -2.635 25436 9630 1 17 . 1 1 24 24 ASN H H 24 8.975 8.975 8.943 0.032 25436 9631 1 17 . 1 1 25 25 THR N N 25 118.371 118.371 108.854 9.517 25436 9632 1 17 . 1 1 25 25 THR HA H 25 4.411 4.411 3.980 0.431 25436 9633 1 17 . 1 1 25 25 THR C C 25 175.285 175.285 174.660 0.625 25436 9634 1 17 . 1 1 25 25 THR CA C 25 63.453 63.453 63.540 -0.087 25436 9635 1 17 . 1 1 25 25 THR CB C 25 67.150 67.150 67.735 -0.585 25436 9636 1 17 . 1 1 25 25 THR H H 25 8.466 8.466 8.024 0.442 25436 9637 1 17 . 1 1 26 26 LEU N N 26 121.017 121.017 119.241 1.776 25436 9638 1 17 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.389 -0.182 25436 9639 1 17 . 1 1 26 26 LEU C C 26 178.243 178.243 177.320 0.923 25436 9640 1 17 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.981 0.758 25436 9641 1 17 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.107 -0.975 25436 9642 1 17 . 1 1 26 26 LEU H H 26 7.583 7.583 7.984 -0.401 25436 9643 1 17 . 1 1 27 27 VAL N N 27 115.968 115.968 114.877 1.091 25436 9644 1 17 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.273 -0.248 25436 9645 1 17 . 1 1 27 27 VAL C C 27 175.199 175.199 175.600 -0.401 25436 9646 1 17 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.540 0.669 25436 9647 1 17 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.865 1.317 25436 9648 1 17 . 1 1 27 27 VAL H H 27 6.846 6.846 7.633 -0.787 25436 9649 1 17 . 1 1 28 28 VAL N N 28 121.753 121.753 120.823 0.930 25436 9650 1 17 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.006 -0.139 25436 9651 1 17 . 1 1 28 28 VAL C C 28 174.351 174.351 174.865 -0.514 25436 9652 1 17 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.242 0.938 25436 9653 1 17 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.004 -0.959 25436 9654 1 17 . 1 1 28 28 VAL H H 28 8.389 8.389 7.668 0.721 25436 9655 1 17 . 1 1 29 29 LYS N N 29 124.108 124.108 121.953 2.155 25436 9656 1 17 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.541 0.087 25436 9657 1 17 . 1 1 29 29 LYS C C 29 177.958 177.958 176.649 1.309 25436 9658 1 17 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.852 -0.192 25436 9659 1 17 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.303 0.153 25436 9660 1 17 . 1 1 29 29 LYS H H 29 8.929 8.929 8.079 0.850 25436 9661 1 17 . 1 1 30 30 LYS N N 30 123.352 123.352 122.329 1.023 25436 9662 1 17 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.928 -0.265 25436 9663 1 17 . 1 1 30 30 LYS C C 30 177.638 177.638 178.070 -0.432 25436 9664 1 17 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.779 1.621 25436 9665 1 17 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.167 0.489 25436 9666 1 17 . 1 1 30 30 LYS H H 30 8.994 8.994 8.727 0.267 25436 9667 1 17 . 1 1 31 31 SER N N 31 111.491 111.491 112.401 -0.910 25436 9668 1 17 . 1 1 31 31 SER HA H 31 4.175 4.175 4.354 -0.179 25436 9669 1 17 . 1 1 31 31 SER C C 31 177.616 177.616 174.851 2.765 25436 9670 1 17 . 1 1 31 31 SER CA C 31 61.402 61.402 59.691 1.711 25436 9671 1 17 . 1 1 31 31 SER CB C 31 61.541 61.541 62.937 -1.396 25436 9672 1 17 . 1 1 31 31 SER H H 31 8.686 8.686 8.403 0.283 25436 9673 1 17 . 1 1 32 32 ASP N N 32 122.114 122.114 121.989 0.125 25436 9674 1 17 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.683 -0.159 25436 9675 1 17 . 1 1 32 32 ASP C C 32 178.193 178.193 178.536 -0.343 25436 9676 1 17 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.568 0.627 25436 9677 1 17 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.359 0.454 25436 9678 1 17 . 1 1 32 32 ASP H H 32 7.147 7.147 7.859 -0.712 25436 9679 1 17 . 1 1 33 33 VAL N N 33 120.064 120.064 120.835 -0.771 25436 9680 1 17 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.873 -0.405 25436 9681 1 17 . 1 1 33 33 VAL C C 33 178.623 178.623 177.298 1.325 25436 9682 1 17 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.150 1.187 25436 9683 1 17 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.515 -0.219 25436 9684 1 17 . 1 1 33 33 VAL H H 33 7.939 7.939 7.882 0.057 25436 9685 1 17 . 1 1 34 34 GLU N N 34 118.713 118.713 115.834 2.879 25436 9686 1 17 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.169 -0.410 25436 9687 1 17 . 1 1 34 34 GLU C C 34 178.700 178.700 176.119 2.581 25436 9688 1 17 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.399 3.104 25436 9689 1 17 . 1 1 34 34 GLU CB C 34 29.330 29.330 28.905 0.424 25436 9690 1 17 . 1 1 34 34 GLU H H 34 8.641 8.641 7.986 0.655 25436 9691 1 17 . 1 1 35 35 ALA N N 35 121.519 121.519 120.041 1.478 25436 9692 1 17 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.599 -0.449 25436 9693 1 17 . 1 1 35 35 ALA C C 35 180.482 180.482 177.935 2.547 25436 9694 1 17 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.833 2.709 25436 9695 1 17 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.374 -2.317 25436 9696 1 17 . 1 1 35 35 ALA H H 35 7.818 7.818 7.628 0.190 25436 9697 1 17 . 1 1 36 36 ILE N N 36 117.410 117.410 117.654 -0.244 25436 9698 1 17 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.177 -0.509 25436 9699 1 17 . 1 1 36 36 ILE C C 36 178.664 178.664 176.432 2.232 25436 9700 1 17 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.936 1.854 25436 9701 1 17 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.282 0.503 25436 9702 1 17 . 1 1 36 36 ILE H H 36 7.778 7.778 7.659 0.119 25436 9703 1 17 . 1 1 37 37 PHE N N 37 113.502 113.502 116.909 -3.407 25436 9704 1 17 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.852 -0.489 25436 9705 1 17 . 1 1 37 37 PHE C C 37 179.622 179.622 177.596 2.026 25436 9706 1 17 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.706 3.997 25436 9707 1 17 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.394 -3.209 25436 9708 1 17 . 1 1 37 37 PHE H H 37 8.587 8.587 7.840 0.747 25436 9709 1 17 . 1 1 38 38 SER N N 38 122.010 122.010 115.275 6.735 25436 9710 1 17 . 1 1 38 38 SER HA H 38 4.819 4.819 4.715 0.104 25436 9711 1 17 . 1 1 38 38 SER C C 38 175.438 175.438 175.402 0.036 25436 9712 1 17 . 1 1 38 38 SER CA C 38 61.462 61.462 59.764 1.698 25436 9713 1 17 . 1 1 38 38 SER CB C 38 62.737 62.737 62.899 -0.162 25436 9714 1 17 . 1 1 38 38 SER H H 38 8.827 8.827 8.676 0.151 25436 9715 1 17 . 1 1 39 39 LYS N N 39 119.345 119.345 117.503 1.842 25436 9716 1 17 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.230 -0.263 25436 9717 1 17 . 1 1 39 39 LYS C C 39 177.063 177.063 176.279 0.784 25436 9718 1 17 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.353 0.906 25436 9719 1 17 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.764 -0.202 25436 9720 1 17 . 1 1 39 39 LYS H H 39 7.057 7.057 8.147 -1.090 25436 9721 1 17 . 1 1 40 40 TYR N N 40 114.420 114.420 119.069 -4.649 25436 9722 1 17 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.575 -0.294 25436 9723 1 17 . 1 1 40 40 TYR C C 40 174.841 174.841 174.478 0.363 25436 9724 1 17 . 1 1 40 40 TYR CA C 40 58.856 58.856 58.045 0.811 25436 9725 1 17 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.534 -2.173 25436 9726 1 17 . 1 1 40 40 TYR H H 40 6.956 6.956 7.700 -0.744 25436 9727 1 17 . 1 1 41 41 GLY N N 41 106.506 106.506 105.267 1.239 25436 9728 1 17 . 1 1 41 41 GLY C C 41 170.572 170.572 172.107 -1.535 25436 9729 1 17 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.347 -0.776 25436 9730 1 17 . 1 1 41 41 GLY H H 41 7.430 7.430 7.432 -0.002 25436 9731 1 17 . 1 1 42 42 LYS N N 42 117.771 117.771 121.242 -3.471 25436 9732 1 17 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.583 -0.382 25436 9733 1 17 . 1 1 42 42 LYS C C 42 176.535 176.535 176.268 0.267 25436 9734 1 17 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.660 2.472 25436 9735 1 17 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.655 0.301 25436 9736 1 17 . 1 1 42 42 LYS H H 42 8.037 8.037 8.349 -0.312 25436 9737 1 17 . 1 1 43 43 ILE N N 43 127.134 127.134 126.866 0.268 25436 9738 1 17 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.359 -0.333 25436 9739 1 17 . 1 1 43 43 ILE C C 43 176.992 176.992 176.012 0.980 25436 9740 1 17 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.861 -0.465 25436 9741 1 17 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.797 0.070 25436 9742 1 17 . 1 1 43 43 ILE H H 43 8.720 8.720 8.503 0.217 25436 9743 1 17 . 1 1 44 44 VAL N N 44 121.988 121.988 119.877 2.111 25436 9744 1 17 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.541 -0.173 25436 9745 1 17 . 1 1 44 44 VAL C C 44 176.854 176.854 175.039 1.815 25436 9746 1 17 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.749 1.135 25436 9747 1 17 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.944 -0.472 25436 9748 1 17 . 1 1 44 44 VAL H H 44 8.707 8.707 8.961 -0.254 25436 9749 1 17 . 1 1 45 45 GLY N N 45 109.497 109.497 108.241 1.256 25436 9750 1 17 . 1 1 45 45 GLY C C 45 171.265 171.265 171.729 -0.464 25436 9751 1 17 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.726 -0.709 25436 9752 1 17 . 1 1 45 45 GLY H H 45 7.541 7.541 7.561 -0.020 25436 9753 1 17 . 1 1 46 46 CYS N N 46 124.565 124.565 121.030 3.535 25436 9754 1 17 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.334 -0.323 25436 9755 1 17 . 1 1 46 46 CYS C C 46 172.072 172.072 172.428 -0.356 25436 9756 1 17 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.408 0.576 25436 9757 1 17 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.951 -2.622 25436 9758 1 17 . 1 1 46 46 CYS H H 46 8.983 8.983 8.701 0.282 25436 9759 1 17 . 1 1 47 47 SER N N 47 122.911 122.911 118.843 4.068 25436 9760 1 17 . 1 1 47 47 SER HA H 47 4.906 4.906 4.763 0.143 25436 9761 1 17 . 1 1 47 47 SER C C 47 171.848 171.848 171.600 0.248 25436 9762 1 17 . 1 1 47 47 SER CA C 47 56.487 56.487 57.257 -0.770 25436 9763 1 17 . 1 1 47 47 SER CB C 47 65.679 65.679 65.657 0.022 25436 9764 1 17 . 1 1 47 47 SER H H 47 8.568 8.568 9.144 -0.576 25436 9765 1 17 . 1 1 48 48 VAL N N 48 121.488 121.488 120.130 1.358 25436 9766 1 17 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.133 0.009 25436 9767 1 17 . 1 1 48 48 VAL C C 48 173.990 173.990 173.754 0.236 25436 9768 1 17 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.941 1.306 25436 9769 1 17 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.100 -1.233 25436 9770 1 17 . 1 1 48 48 VAL H H 48 8.588 8.588 8.102 0.486 25436 9771 1 17 . 1 1 49 49 HIS N N 49 130.227 130.227 125.116 5.111 25436 9772 1 17 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.735 -0.326 25436 9773 1 17 . 1 1 49 49 HIS C C 49 173.949 173.949 173.630 0.319 25436 9774 1 17 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.136 0.530 25436 9775 1 17 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.011 -0.893 25436 9776 1 17 . 1 1 49 49 HIS H H 49 8.380 8.380 8.554 -0.174 25436 9777 1 17 . 1 1 50 50 LYS N N 50 121.171 121.171 119.494 1.677 25436 9778 1 17 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.962 0.472 25436 9779 1 17 . 1 1 50 50 LYS C C 50 175.527 175.527 177.172 -1.645 25436 9780 1 17 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.614 -0.696 25436 9781 1 17 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.649 -2.228 25436 9782 1 17 . 1 1 50 50 LYS H H 50 7.717 7.717 8.205 -0.488 25436 9783 1 17 . 1 1 51 51 GLY N N 51 113.993 113.993 111.001 2.992 25436 9784 1 17 . 1 1 51 51 GLY C C 51 174.252 174.252 173.103 1.149 25436 9785 1 17 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.441 -1.034 25436 9786 1 17 . 1 1 51 51 GLY H H 51 9.404 9.404 8.933 0.471 25436 9787 1 17 . 1 1 52 52 PHE N N 52 112.326 112.326 114.770 -2.444 25436 9788 1 17 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.637 -0.345 25436 9789 1 17 . 1 1 52 52 PHE C C 52 171.605 171.605 172.977 -1.372 25436 9790 1 17 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.267 0.988 25436 9791 1 17 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.376 -0.335 25436 9792 1 17 . 1 1 52 52 PHE H H 52 7.006 7.006 7.098 -0.092 25436 9793 1 17 . 1 1 53 53 ALA N N 53 119.722 119.722 119.130 0.592 25436 9794 1 17 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.782 0.026 25436 9795 1 17 . 1 1 53 53 ALA C C 53 173.029 173.029 174.517 -1.488 25436 9796 1 17 . 1 1 53 53 ALA CA C 53 50.296 50.296 50.924 -0.628 25436 9797 1 17 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.506 2.293 25436 9798 1 17 . 1 1 53 53 ALA H H 53 8.677 8.677 8.418 0.259 25436 9799 1 17 . 1 1 54 54 PHE N N 54 112.104 112.104 116.349 -4.245 25436 9800 1 17 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.725 -0.145 25436 9801 1 17 . 1 1 54 54 PHE C C 54 175.794 175.794 174.294 1.500 25436 9802 1 17 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.809 -0.095 25436 9803 1 17 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.403 -0.117 25436 9804 1 17 . 1 1 54 54 PHE H H 54 8.797 8.797 8.880 -0.083 25436 9805 1 17 . 1 1 55 55 VAL N N 55 118.542 118.542 120.552 -2.010 25436 9806 1 17 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.449 -0.236 25436 9807 1 17 . 1 1 55 55 VAL C C 55 172.806 172.806 173.840 -1.034 25436 9808 1 17 . 1 1 55 55 VAL CA C 55 61.928 61.928 60.986 0.942 25436 9809 1 17 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.900 -0.980 25436 9810 1 17 . 1 1 55 55 VAL H H 55 8.295 8.295 8.613 -0.318 25436 9811 1 17 . 1 1 56 56 GLN N N 56 128.473 128.473 123.548 4.925 25436 9812 1 17 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.757 -0.187 25436 9813 1 17 . 1 1 56 56 GLN C C 56 173.893 173.893 174.304 -0.411 25436 9814 1 17 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.974 0.290 25436 9815 1 17 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.656 1.414 25436 9816 1 17 . 1 1 56 56 GLN H H 56 9.263 9.263 8.863 0.400 25436 9817 1 17 . 1 1 57 57 TYR N N 57 127.679 127.679 125.484 2.195 25436 9818 1 17 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.198 0.089 25436 9819 1 17 . 1 1 57 57 TYR C C 57 175.609 175.609 176.851 -1.242 25436 9820 1 17 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.643 1.025 25436 9821 1 17 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.015 0.019 25436 9822 1 17 . 1 1 57 57 TYR H H 57 8.928 8.928 8.816 0.112 25436 9823 1 17 . 1 1 58 58 VAL N N 58 116.710 116.710 117.711 -1.001 25436 9824 1 17 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.896 0.219 25436 9825 1 17 . 1 1 58 58 VAL C C 58 175.859 175.859 174.838 1.021 25436 9826 1 17 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.359 -0.301 25436 9827 1 17 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.175 0.838 25436 9828 1 17 . 1 1 58 58 VAL H H 58 9.479 9.479 8.677 0.802 25436 9829 1 17 . 1 1 59 59 ASN N N 59 112.455 112.455 112.752 -0.297 25436 9830 1 17 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.789 0.370 25436 9831 1 17 . 1 1 59 59 ASN C C 59 174.482 174.482 175.253 -0.771 25436 9832 1 17 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.907 0.035 25436 9833 1 17 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.115 2.077 25436 9834 1 17 . 1 1 59 59 ASN H H 59 7.218 7.218 7.486 -0.268 25436 9835 1 17 . 1 1 60 60 GLU N N 60 124.337 124.337 121.089 3.248 25436 9836 1 17 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.281 0.038 25436 9837 1 17 . 1 1 60 60 GLU C C 60 178.201 178.201 178.367 -0.166 25436 9838 1 17 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.356 -0.616 25436 9839 1 17 . 1 1 60 60 GLU CB C 60 30.357 30.357 30.070 0.287 25436 9840 1 17 . 1 1 60 60 GLU H H 60 8.808 8.808 9.004 -0.196 25436 9841 1 17 . 1 1 61 61 ARG N N 61 118.265 118.265 119.816 -1.551 25436 9842 1 17 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.063 -0.066 25436 9843 1 17 . 1 1 61 61 ARG C C 61 179.340 179.340 178.581 0.759 25436 9844 1 17 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.715 0.764 25436 9845 1 17 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.257 0.097 25436 9846 1 17 . 1 1 61 61 ARG H H 61 8.630 8.630 8.505 0.125 25436 9847 1 17 . 1 1 62 62 ASN N N 62 118.081 118.081 117.769 0.312 25436 9848 1 17 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.277 0.003 25436 9849 1 17 . 1 1 62 62 ASN C C 62 174.851 174.851 176.722 -1.871 25436 9850 1 17 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.259 0.193 25436 9851 1 17 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.317 0.701 25436 9852 1 17 . 1 1 62 62 ASN H H 62 7.785 7.785 8.970 -1.185 25436 9853 1 17 . 1 1 63 63 ALA N N 63 119.543 119.543 123.253 -3.710 25436 9854 1 17 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.441 -0.685 25436 9855 1 17 . 1 1 63 63 ALA C C 63 178.861 178.861 179.548 -0.687 25436 9856 1 17 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.129 -0.168 25436 9857 1 17 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.768 -0.228 25436 9858 1 17 . 1 1 63 63 ALA H H 63 6.779 6.779 7.394 -0.615 25436 9859 1 17 . 1 1 64 64 ARG N N 64 114.965 114.965 117.399 -2.434 25436 9860 1 17 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.089 -0.247 25436 9861 1 17 . 1 1 64 64 ARG C C 64 179.775 179.775 178.603 1.172 25436 9862 1 17 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.628 2.562 25436 9863 1 17 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.477 -0.164 25436 9864 1 17 . 1 1 64 64 ARG H H 64 8.755 8.755 8.436 0.319 25436 9865 1 17 . 1 1 65 65 ALA N N 65 123.704 123.704 121.813 1.891 25436 9866 1 17 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.233 -0.103 25436 9867 1 17 . 1 1 65 65 ALA C C 65 179.560 179.560 178.727 0.833 25436 9868 1 17 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.947 0.032 25436 9869 1 17 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.311 -0.419 25436 9870 1 17 . 1 1 65 65 ALA H H 65 7.823 7.823 7.567 0.256 25436 9871 1 17 . 1 1 66 66 ALA N N 66 123.797 123.797 119.016 4.781 25436 9872 1 17 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.520 -1.444 25436 9873 1 17 . 1 1 66 66 ALA C C 66 179.259 179.259 179.387 -0.128 25436 9874 1 17 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.042 0.246 25436 9875 1 17 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.115 0.160 25436 9876 1 17 . 1 1 66 66 ALA H H 66 7.545 7.545 7.536 0.009 25436 9877 1 17 . 1 1 67 67 VAL N N 67 116.549 116.549 118.160 -1.611 25436 9878 1 17 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.817 -0.463 25436 9879 1 17 . 1 1 67 67 VAL C C 67 177.744 177.744 176.500 1.244 25436 9880 1 17 . 1 1 67 67 VAL CA C 67 66.533 66.533 65.993 0.540 25436 9881 1 17 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.723 0.246 25436 9882 1 17 . 1 1 67 67 VAL H H 67 7.619 7.619 8.498 -0.879 25436 9883 1 17 . 1 1 68 68 ALA N N 68 118.193 118.193 119.356 -1.163 25436 9884 1 17 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.487 -0.360 25436 9885 1 17 . 1 1 68 68 ALA C C 68 180.748 180.748 177.974 2.774 25436 9886 1 17 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.860 1.501 25436 9887 1 17 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.347 -1.219 25436 9888 1 17 . 1 1 68 68 ALA H H 68 7.550 7.550 7.544 0.006 25436 9889 1 17 . 1 1 69 69 GLY N N 69 103.773 103.773 106.963 -3.190 25436 9890 1 17 . 1 1 69 69 GLY C C 69 175.626 175.626 175.396 0.230 25436 9891 1 17 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.561 0.565 25436 9892 1 17 . 1 1 69 69 GLY H H 69 8.140 8.140 7.509 0.631 25436 9893 1 17 . 1 1 70 70 GLU N N 70 114.547 114.547 118.211 -3.664 25436 9894 1 17 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.232 0.404 25436 9895 1 17 . 1 1 70 70 GLU C C 70 176.391 176.391 175.539 0.852 25436 9896 1 17 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.634 -0.475 25436 9897 1 17 . 1 1 70 70 GLU CB C 70 31.265 31.265 30.396 0.869 25436 9898 1 17 . 1 1 70 70 GLU H H 70 7.654 7.654 7.687 -0.033 25436 9899 1 17 . 1 1 71 71 ASP N N 71 118.202 118.202 120.027 -1.825 25436 9900 1 17 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.292 -0.005 25436 9901 1 17 . 1 1 71 71 ASP C C 71 178.698 178.698 177.719 0.979 25436 9902 1 17 . 1 1 71 71 ASP CA C 71 57.531 57.531 55.993 1.538 25436 9903 1 17 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.938 0.433 25436 9904 1 17 . 1 1 71 71 ASP H H 71 8.020 8.020 7.497 0.523 25436 9905 1 17 . 1 1 72 72 GLY N N 72 114.301 114.301 114.652 -0.351 25436 9906 1 17 . 1 1 72 72 GLY C C 72 173.791 173.791 173.621 0.170 25436 9907 1 17 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.167 0.592 25436 9908 1 17 . 1 1 72 72 GLY H H 72 8.305 8.305 8.434 -0.129 25436 9909 1 17 . 1 1 73 73 ARG N N 73 121.994 121.994 118.460 3.534 25436 9910 1 17 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.535 -0.340 25436 9911 1 17 . 1 1 73 73 ARG C C 73 175.187 175.187 174.888 0.299 25436 9912 1 17 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.775 1.728 25436 9913 1 17 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.801 -0.549 25436 9914 1 17 . 1 1 73 73 ARG H H 73 7.980 7.980 7.740 0.240 25436 9915 1 17 . 1 1 74 74 MET N N 74 125.081 125.081 122.009 3.072 25436 9916 1 17 . 1 1 74 74 MET HA H 74 4.823 4.823 5.123 -0.300 25436 9917 1 17 . 1 1 74 74 MET C C 74 175.726 175.726 175.127 0.599 25436 9918 1 17 . 1 1 74 74 MET CA C 74 55.029 55.029 55.187 -0.158 25436 9919 1 17 . 1 1 74 74 MET CB C 74 33.092 33.092 34.587 -1.495 25436 9920 1 17 . 1 1 74 74 MET H H 74 8.712 8.712 8.411 0.301 25436 9921 1 17 . 1 1 75 75 ILE N N 75 127.490 127.490 125.507 1.983 25436 9922 1 17 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.484 -0.102 25436 9923 1 17 . 1 1 75 75 ILE C C 75 175.276 175.276 175.492 -0.216 25436 9924 1 17 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.848 -1.044 25436 9925 1 17 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.168 -0.772 25436 9926 1 17 . 1 1 75 75 ILE H H 75 8.589 8.589 8.959 -0.370 25436 9927 1 17 . 1 1 76 76 ALA N N 76 132.147 132.147 127.592 4.555 25436 9928 1 17 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.036 0.002 25436 9929 1 17 . 1 1 76 76 ALA C C 76 177.205 177.205 177.761 -0.556 25436 9930 1 17 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.066 -1.132 25436 9931 1 17 . 1 1 76 76 ALA CB C 76 17.148 17.148 16.994 0.154 25436 9932 1 17 . 1 1 76 76 ALA H H 76 9.547 9.547 8.966 0.581 25436 9933 1 17 . 1 1 77 77 GLY N N 77 101.695 101.695 101.887 -0.192 25436 9934 1 17 . 1 1 77 77 GLY C C 77 174.205 174.205 174.159 0.046 25436 9935 1 17 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.955 0.808 25436 9936 1 17 . 1 1 77 77 GLY H H 77 8.445 8.445 8.330 0.115 25436 9937 1 17 . 1 1 78 78 GLN N N 78 119.020 119.020 118.712 0.308 25436 9938 1 17 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.717 0.012 25436 9939 1 17 . 1 1 78 78 GLN C C 78 174.046 174.046 174.250 -0.204 25436 9940 1 17 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.178 0.017 25436 9941 1 17 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.804 -0.916 25436 9942 1 17 . 1 1 78 78 GLN H H 78 7.720 7.720 7.853 -0.133 25436 9943 1 17 . 1 1 79 79 VAL N N 79 123.374 123.374 121.656 1.718 25436 9944 1 17 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.948 -0.936 25436 9945 1 17 . 1 1 79 79 VAL C C 79 176.347 176.347 175.630 0.717 25436 9946 1 17 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.278 1.377 25436 9947 1 17 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.052 -0.968 25436 9948 1 17 . 1 1 79 79 VAL H H 79 8.532 8.532 8.395 0.137 25436 9949 1 17 . 1 1 80 80 LEU N N 80 128.569 128.569 122.565 6.004 25436 9950 1 17 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.915 -0.628 25436 9951 1 17 . 1 1 80 80 LEU C C 80 176.521 176.521 175.245 1.276 25436 9952 1 17 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.161 3.902 25436 9953 1 17 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.119 -0.298 25436 9954 1 17 . 1 1 80 80 LEU H H 80 9.014 9.014 8.199 0.815 25436 9955 1 17 . 1 1 81 81 ASP N N 81 124.359 124.359 122.662 1.697 25436 9956 1 17 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.132 0.093 25436 9957 1 17 . 1 1 81 81 ASP C C 81 174.659 174.659 175.345 -0.686 25436 9958 1 17 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.930 0.025 25436 9959 1 17 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.615 1.057 25436 9960 1 17 . 1 1 81 81 ASP H H 81 7.850 7.850 8.357 -0.507 25436 9961 1 17 . 1 1 82 82 ILE N N 82 123.155 123.155 126.497 -3.342 25436 9962 1 17 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.932 0.470 25436 9963 1 17 . 1 1 82 82 ILE C C 82 174.520 174.520 175.287 -0.767 25436 9964 1 17 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.179 -0.947 25436 9965 1 17 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.644 1.319 25436 9966 1 17 . 1 1 82 82 ILE H H 82 9.086 9.086 8.530 0.556 25436 9967 1 17 . 1 1 83 83 ASN N N 83 116.417 116.417 122.646 -6.229 25436 9968 1 17 . 1 1 83 83 ASN HA H 83 4.847 4.847 5.002 -0.155 25436 9969 1 17 . 1 1 83 83 ASN C C 83 174.565 174.565 173.750 0.815 25436 9970 1 17 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.117 0.931 25436 9971 1 17 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.335 0.775 25436 9972 1 17 . 1 1 83 83 ASN H H 83 8.495 8.495 8.599 -0.104 25436 9973 1 17 . 1 1 84 84 LEU N N 84 123.786 123.786 121.233 2.553 25436 9974 1 17 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.431 0.291 25436 9975 1 17 . 1 1 84 84 LEU C C 84 180.968 180.968 178.547 2.421 25436 9976 1 17 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.555 -0.255 25436 9977 1 17 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.528 -2.212 25436 9978 1 17 . 1 1 84 84 LEU H H 84 9.427 9.427 8.799 0.628 25436 9979 1 17 . 1 1 85 85 ALA N N 85 127.571 127.571 125.002 2.569 25436 9980 1 17 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.401 -0.353 25436 9981 1 17 . 1 1 85 85 ALA C C 85 177.931 177.931 176.498 1.433 25436 9982 1 17 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.065 2.231 25436 9983 1 17 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.031 -1.078 25436 9984 1 17 . 1 1 85 85 ALA H H 85 9.295 9.295 8.836 0.459 25436 9985 1 17 . 1 1 86 86 ALA N N 86 115.985 115.985 118.091 -2.106 25436 9986 1 17 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.388 0.023 25436 9987 1 17 . 1 1 86 86 ALA C C 86 176.152 176.152 176.702 -0.550 25436 9988 1 17 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.980 -0.208 25436 9989 1 17 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.000 0.325 25436 9990 1 17 . 1 1 86 86 ALA H H 86 8.657 8.657 8.030 0.627 25436 9991 1 17 . 1 1 87 87 GLU N N 87 118.975 118.975 119.500 -0.525 25436 9992 1 17 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.622 0.113 25436 9993 1 17 . 1 1 87 87 GLU C C 87 171.676 171.676 174.034 -2.358 25436 9994 1 17 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.189 -0.041 25436 9995 1 17 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.763 0.153 25436 9996 1 17 . 1 1 87 87 GLU H H 87 7.913 7.913 7.895 0.018 25436 9997 1 17 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.511 -0.164 25436 9998 1 17 . 1 1 88 88 PRO C C 88 177.303 177.303 176.417 0.886 25436 9999 1 17 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.025 -0.147 25436 10000 1 17 . 1 1 88 88 PRO CB C 88 31.902 31.902 30.500 1.402 25436 10001 1 17 . 1 1 89 89 LYS N N 89 121.335 121.335 120.843 0.492 25436 10002 1 17 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.232 0.008 25436 10003 1 17 . 1 1 89 89 LYS C C 89 177.689 177.689 176.479 1.210 25436 10004 1 17 . 1 1 89 89 LYS CA C 89 56.751 56.751 57.367 -0.616 25436 10005 1 17 . 1 1 89 89 LYS CB C 89 33.436 33.436 32.463 0.973 25436 10006 1 17 . 1 1 89 89 LYS H H 89 8.020 8.020 8.400 -0.380 25436 10007 1 17 . 1 1 90 90 VAL N N 90 120.786 120.786 118.189 2.597 25436 10008 1 17 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.057 -0.135 25436 10009 1 17 . 1 1 90 90 VAL C C 90 176.169 176.169 175.748 0.421 25436 10010 1 17 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.936 2.362 25436 10011 1 17 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.482 -1.215 25436 10012 1 17 . 1 1 90 90 VAL H H 90 8.232 8.232 7.653 0.579 25436 10013 1 17 . 1 1 91 91 ASN N N 91 119.214 119.214 122.569 -3.355 25436 10014 1 17 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.643 0.016 25436 10015 1 17 . 1 1 91 91 ASN C C 91 175.172 175.172 176.200 -1.028 25436 10016 1 17 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.990 -0.963 25436 10017 1 17 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.713 -0.544 25436 10018 1 17 . 1 1 91 91 ASN H H 91 8.453 8.453 8.799 -0.346 25436 10019 1 17 . 1 1 92 92 ARG N N 92 120.709 120.709 117.587 3.122 25436 10020 1 17 . 1 1 92 92 ARG HA H 92 4.254 4.254 3.857 0.397 25436 10021 1 17 . 1 1 92 92 ARG C C 92 176.991 176.991 177.202 -0.211 25436 10022 1 17 . 1 1 92 92 ARG CA C 92 56.500 56.500 58.504 -2.003 25436 10023 1 17 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.927 1.680 25436 10024 1 17 . 1 1 92 92 ARG H H 92 7.925 7.925 8.343 -0.418 25436 10025 1 17 . 1 1 93 93 GLY N N 93 110.299 110.299 106.650 3.649 25436 10026 1 17 . 1 1 93 93 GLY C C 93 174.245 174.245 174.041 0.204 25436 10027 1 17 . 1 1 93 93 GLY CA C 93 45.416 45.416 45.714 -0.298 25436 10028 1 17 . 1 1 93 93 GLY H H 93 8.593 8.593 8.289 0.304 25436 10029 1 17 . 1 1 94 94 LYS N N 94 120.781 120.781 115.634 5.147 25436 10030 1 17 . 1 1 94 94 LYS HA H 94 4.294 4.294 4.027 0.267 25436 10031 1 17 . 1 1 94 94 LYS C C 94 176.524 176.524 175.289 1.235 25436 10032 1 17 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.753 -1.646 25436 10033 1 17 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.267 1.873 25436 10034 1 17 . 1 1 94 94 LYS H H 94 8.126 8.126 8.557 -0.431 25436 10035 1 17 . 1 1 95 95 ALA N N 95 125.012 125.012 117.873 7.139 25436 10036 1 17 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.590 -0.291 25436 10037 1 17 . 1 1 95 95 ALA C C 95 178.324 178.324 177.590 0.734 25436 10038 1 17 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.078 0.723 25436 10039 1 17 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.943 -1.765 25436 10040 1 17 . 1 1 95 95 ALA H H 95 8.435 8.435 7.403 1.032 25436 10041 1 17 . 1 1 96 96 GLY N N 96 108.312 108.312 107.626 0.686 25436 10042 1 17 . 1 1 96 96 GLY C C 96 174.095 174.095 174.899 -0.804 25436 10043 1 17 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.070 -0.788 25436 10044 1 17 . 1 1 96 96 GLY H H 96 8.414 8.414 8.107 0.307 25436 10045 1 17 . 1 1 97 97 VAL N N 97 119.818 119.818 118.304 1.514 25436 10046 1 17 . 1 1 97 97 VAL HA H 97 4.072 4.072 3.952 0.120 25436 10047 1 17 . 1 1 97 97 VAL C C 97 176.155 176.155 176.153 0.002 25436 10048 1 17 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.617 -1.274 25436 10049 1 17 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.921 0.836 25436 10050 1 17 . 1 1 97 97 VAL H H 97 7.919 7.919 8.059 -0.140 25436 10051 1 17 . 1 1 98 98 LYS N N 98 125.912 125.912 120.617 5.295 25436 10052 1 17 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.199 0.134 25436 10053 1 17 . 1 1 98 98 LYS C C 98 176.426 176.426 176.180 0.246 25436 10054 1 17 . 1 1 98 98 LYS CA C 98 56.169 56.169 56.349 -0.180 25436 10055 1 17 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.600 0.448 25436 10056 1 17 . 1 1 98 98 LYS H H 98 8.466 8.466 8.031 0.435 25436 10057 1 17 . 1 1 99 99 ARG N N 99 123.544 123.544 121.430 2.114 25436 10058 1 17 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.423 -0.054 25436 10059 1 17 . 1 1 99 99 ARG C C 99 176.230 176.230 176.009 0.221 25436 10060 1 17 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.579 0.415 25436 10061 1 17 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.066 0.098 25436 10062 1 17 . 1 1 99 99 ARG H H 99 8.468 8.468 8.359 0.109 25436 10063 1 17 . 1 1 100 100 SER N N 100 117.781 117.781 115.520 2.261 25436 10064 1 17 . 1 1 100 100 SER HA H 100 4.452 4.452 4.494 -0.042 25436 10065 1 17 . 1 1 100 100 SER C C 100 174.555 174.555 176.410 -1.855 25436 10066 1 17 . 1 1 100 100 SER CA C 100 58.036 58.036 57.101 0.935 25436 10067 1 17 . 1 1 100 100 SER CB C 100 64.139 64.139 64.575 -0.436 25436 10068 1 17 . 1 1 100 100 SER H H 100 8.507 8.507 8.405 0.102 25436 10069 1 17 . 1 1 101 101 ALA N N 101 126.090 126.090 130.332 -4.242 25436 10070 1 17 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.203 0.067 25436 10071 1 17 . 1 1 101 101 ALA C C 101 178.046 178.046 177.449 0.597 25436 10072 1 17 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.155 -0.885 25436 10073 1 17 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.297 0.735 25436 10074 1 17 . 1 1 101 101 ALA H H 101 8.529 8.529 8.846 -0.317 25436 10075 1 17 . 1 1 102 102 ALA N N 102 121.750 121.750 119.063 2.687 25436 10076 1 17 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.531 -0.304 25436 10077 1 17 . 1 1 102 102 ALA C C 102 178.253 178.253 177.868 0.385 25436 10078 1 17 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.661 0.334 25436 10079 1 17 . 1 1 102 102 ALA CB C 102 19.078 19.078 20.068 -0.990 25436 10080 1 17 . 1 1 102 102 ALA H H 102 8.219 8.219 7.557 0.662 25436 10081 1 17 . 1 1 103 103 GLU N N 103 118.819 118.819 117.903 0.916 25436 10082 1 17 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.549 -0.347 25436 10083 1 17 . 1 1 103 103 GLU C C 103 176.515 176.515 177.392 -0.877 25436 10084 1 17 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.881 0.788 25436 10085 1 17 . 1 1 103 103 GLU CB C 103 30.162 30.162 29.600 0.562 25436 10086 1 17 . 1 1 103 103 GLU H H 103 8.100 8.100 8.075 0.025 25436 10087 1 17 . 1 1 104 104 MET N N 104 120.178 120.178 117.965 2.213 25436 10088 1 17 . 1 1 104 104 MET HA H 104 4.332 4.332 4.114 0.218 25436 10089 1 17 . 1 1 104 104 MET C C 104 175.861 175.861 176.967 -1.106 25436 10090 1 17 . 1 1 104 104 MET CA C 104 55.869 55.869 58.568 -2.699 25436 10091 1 17 . 1 1 104 104 MET CB C 104 32.993 32.993 33.055 -0.062 25436 10092 1 17 . 1 1 104 104 MET H H 104 8.086 8.086 7.753 0.333 25436 10093 1 17 . 1 1 105 105 TYR N N 105 120.369 120.369 115.576 4.793 25436 10094 1 17 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.617 0.035 25436 10095 1 17 . 1 1 105 105 TYR C C 105 175.318 175.318 176.924 -1.606 25436 10096 1 17 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.482 0.103 25436 10097 1 17 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.406 0.485 25436 10098 1 17 . 1 1 105 105 TYR H H 105 8.137 8.137 7.848 0.289 25436 10099 1 18 . 1 1 3 3 SER HA H 3 4.564 4.564 4.571 -0.007 25436 10100 1 18 . 1 1 3 3 SER C C 3 173.407 173.407 174.319 -0.912 25436 10101 1 18 . 1 1 3 3 SER CA C 3 58.309 58.309 56.323 1.986 25436 10102 1 18 . 1 1 3 3 SER CB C 3 63.980 63.980 63.700 0.280 25436 10103 1 18 . 1 1 4 4 ASN N N 4 120.204 120.204 119.024 1.180 25436 10104 1 18 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.149 0.068 25436 10105 1 18 . 1 1 4 4 ASN C C 4 176.242 176.242 174.003 2.239 25436 10106 1 18 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.109 0.926 25436 10107 1 18 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.261 0.454 25436 10108 1 18 . 1 1 4 4 ASN H H 4 8.783 8.783 8.532 0.251 25436 10109 1 18 . 1 1 5 5 VAL N N 5 122.598 122.598 119.291 3.307 25436 10110 1 18 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.344 -0.574 25436 10111 1 18 . 1 1 5 5 VAL C C 5 177.222 177.222 174.395 2.827 25436 10112 1 18 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.171 4.635 25436 10113 1 18 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.876 -3.021 25436 10114 1 18 . 1 1 5 5 VAL H H 5 8.326 8.326 7.350 0.976 25436 10115 1 18 . 1 1 6 6 THR N N 6 118.450 118.450 118.199 0.251 25436 10116 1 18 . 1 1 6 6 THR HA H 6 4.682 4.682 4.804 -0.122 25436 10117 1 18 . 1 1 6 6 THR C C 6 174.349 174.349 172.963 1.386 25436 10118 1 18 . 1 1 6 6 THR CA C 6 60.542 60.542 61.822 -1.280 25436 10119 1 18 . 1 1 6 6 THR CB C 6 69.771 69.771 69.276 0.495 25436 10120 1 18 . 1 1 6 6 THR H H 6 9.391 9.391 8.385 1.006 25436 10121 1 18 . 1 1 7 7 ASN N N 7 120.847 120.847 117.104 3.743 25436 10122 1 18 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.553 0.002 25436 10123 1 18 . 1 1 7 7 ASN C C 7 176.863 176.863 175.858 1.005 25436 10124 1 18 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.487 -0.578 25436 10125 1 18 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.807 0.252 25436 10126 1 18 . 1 1 7 7 ASN H H 7 7.970 7.970 7.948 0.022 25436 10127 1 18 . 1 1 8 8 LYS N N 8 121.736 121.736 121.471 0.265 25436 10128 1 18 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.313 -0.059 25436 10129 1 18 . 1 1 8 8 LYS C C 8 180.141 180.141 176.645 3.496 25436 10130 1 18 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.650 1.571 25436 10131 1 18 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.008 -0.718 25436 10132 1 18 . 1 1 8 8 LYS H H 8 8.577 8.577 7.993 0.584 25436 10133 1 18 . 1 1 9 9 THR N N 9 110.800 110.800 109.672 1.128 25436 10134 1 18 . 1 1 9 9 THR HA H 9 4.467 4.467 4.421 0.046 25436 10135 1 18 . 1 1 9 9 THR C C 9 174.484 174.484 173.454 1.030 25436 10136 1 18 . 1 1 9 9 THR CA C 9 61.242 61.242 60.860 0.382 25436 10137 1 18 . 1 1 9 9 THR CB C 9 69.009 69.009 69.220 -0.211 25436 10138 1 18 . 1 1 9 9 THR H H 9 8.695 8.695 8.243 0.452 25436 10139 1 18 . 1 1 10 10 ASP N N 10 120.937 120.937 123.417 -2.480 25436 10140 1 18 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.785 0.038 25436 10141 1 18 . 1 1 10 10 ASP C C 10 173.945 173.945 176.843 -2.898 25436 10142 1 18 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.130 -0.644 25436 10143 1 18 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.543 -1.993 25436 10144 1 18 . 1 1 10 10 ASP H H 10 7.908 7.908 7.985 -0.077 25436 10145 1 18 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.361 -0.211 25436 10146 1 18 . 1 1 11 11 PRO C C 11 178.420 178.420 176.245 2.175 25436 10147 1 18 . 1 1 11 11 PRO CA C 11 66.213 66.213 65.135 1.078 25436 10148 1 18 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.991 0.164 25436 10149 1 18 . 1 1 12 12 ARG N N 12 116.349 116.349 113.023 3.326 25436 10150 1 18 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.684 -0.589 25436 10151 1 18 . 1 1 12 12 ARG C C 12 180.445 180.445 176.015 4.430 25436 10152 1 18 . 1 1 12 12 ARG CA C 12 59.571 59.571 55.821 3.750 25436 10153 1 18 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.145 0.090 25436 10154 1 18 . 1 1 12 12 ARG H H 12 7.944 7.944 7.928 0.016 25436 10155 1 18 . 1 1 13 13 SER N N 13 119.401 119.401 115.041 4.360 25436 10156 1 18 . 1 1 13 13 SER HA H 13 4.053 4.053 4.636 -0.583 25436 10157 1 18 . 1 1 13 13 SER C C 13 175.325 175.325 175.363 -0.038 25436 10158 1 18 . 1 1 13 13 SER CA C 13 61.500 61.500 59.679 1.821 25436 10159 1 18 . 1 1 13 13 SER CB C 13 61.798 61.798 63.916 -2.119 25436 10160 1 18 . 1 1 13 13 SER H H 13 8.152 8.152 7.440 0.712 25436 10161 1 18 . 1 1 14 14 MET N N 14 120.254 120.254 117.104 3.150 25436 10162 1 18 . 1 1 14 14 MET HA H 14 4.090 4.090 4.262 -0.172 25436 10163 1 18 . 1 1 14 14 MET C C 14 178.575 178.575 175.773 2.802 25436 10164 1 18 . 1 1 14 14 MET CA C 14 58.317 58.317 57.898 0.419 25436 10165 1 18 . 1 1 14 14 MET CB C 14 31.466 31.466 32.908 -1.442 25436 10166 1 18 . 1 1 14 14 MET H H 14 8.241 8.241 7.832 0.409 25436 10167 1 18 . 1 1 15 15 ASN N N 15 115.299 115.299 109.584 5.715 25436 10168 1 18 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.857 -0.231 25436 10169 1 18 . 1 1 15 15 ASN C C 15 172.554 172.554 175.182 -2.628 25436 10170 1 18 . 1 1 15 15 ASN CA C 15 54.060 54.060 52.770 1.290 25436 10171 1 18 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.074 -0.278 25436 10172 1 18 . 1 1 15 15 ASN H H 15 7.962 7.962 8.142 -0.180 25436 10173 1 18 . 1 1 16 16 SER N N 16 106.079 106.079 112.714 -6.635 25436 10174 1 18 . 1 1 16 16 SER HA H 16 4.500 4.500 4.811 -0.311 25436 10175 1 18 . 1 1 16 16 SER C C 16 172.120 172.120 174.053 -1.933 25436 10176 1 18 . 1 1 16 16 SER CA C 16 56.814 56.814 58.146 -1.332 25436 10177 1 18 . 1 1 16 16 SER CB C 16 63.439 63.439 64.121 -0.682 25436 10178 1 18 . 1 1 16 16 SER H H 16 7.249 7.249 7.521 -0.272 25436 10179 1 18 . 1 1 17 17 ARG N N 17 123.335 123.335 120.512 2.823 25436 10180 1 18 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.213 0.372 25436 10181 1 18 . 1 1 17 17 ARG C C 17 174.490 174.490 174.230 0.260 25436 10182 1 18 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.458 -0.094 25436 10183 1 18 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.986 -1.128 25436 10184 1 18 . 1 1 17 17 ARG H H 17 7.400 7.400 7.360 0.040 25436 10185 1 18 . 1 1 18 18 VAL N N 18 122.241 122.241 118.426 3.815 25436 10186 1 18 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.596 0.121 25436 10187 1 18 . 1 1 18 18 VAL C C 18 174.862 174.862 174.222 0.640 25436 10188 1 18 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.002 -0.279 25436 10189 1 18 . 1 1 18 18 VAL CB C 18 34.281 34.281 35.409 -1.128 25436 10190 1 18 . 1 1 18 18 VAL H H 18 9.264 9.264 8.800 0.464 25436 10191 1 18 . 1 1 19 19 PHE N N 19 125.933 125.933 128.400 -2.467 25436 10192 1 18 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.338 0.128 25436 10193 1 18 . 1 1 19 19 PHE C C 19 171.966 171.966 173.421 -1.455 25436 10194 1 18 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.256 1.867 25436 10195 1 18 . 1 1 19 19 PHE CB C 19 40.945 40.945 42.002 -1.057 25436 10196 1 18 . 1 1 19 19 PHE H H 19 9.162 9.162 9.137 0.025 25436 10197 1 18 . 1 1 20 20 ILE N N 20 126.425 126.425 126.345 0.080 25436 10198 1 18 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.181 -0.312 25436 10199 1 18 . 1 1 20 20 ILE C C 20 173.048 173.048 173.976 -0.928 25436 10200 1 18 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.062 -0.732 25436 10201 1 18 . 1 1 20 20 ILE CB C 20 39.035 39.035 39.259 -0.224 25436 10202 1 18 . 1 1 20 20 ILE H H 20 7.723 7.723 7.788 -0.065 25436 10203 1 18 . 1 1 21 21 GLY N N 21 113.255 113.255 111.268 1.987 25436 10204 1 18 . 1 1 21 21 GLY C C 21 173.768 173.768 174.228 -0.460 25436 10205 1 18 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.903 1.028 25436 10206 1 18 . 1 1 21 21 GLY H H 21 8.498 8.498 8.304 0.194 25436 10207 1 18 . 1 1 22 22 ASN N N 22 116.172 116.172 115.622 0.550 25436 10208 1 18 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.294 0.135 25436 10209 1 18 . 1 1 22 22 ASN C C 22 174.204 174.204 174.568 -0.364 25436 10210 1 18 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.182 -0.664 25436 10211 1 18 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.374 0.401 25436 10212 1 18 . 1 1 22 22 ASN H H 22 7.227 7.227 8.472 -1.245 25436 10213 1 18 . 1 1 23 23 LEU N N 23 119.429 119.429 118.792 0.637 25436 10214 1 18 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.280 -0.337 25436 10215 1 18 . 1 1 23 23 LEU C C 23 176.550 176.550 175.611 0.939 25436 10216 1 18 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.812 -2.235 25436 10217 1 18 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.304 1.063 25436 10218 1 18 . 1 1 23 23 LEU H H 23 7.110 7.110 7.474 -0.364 25436 10219 1 18 . 1 1 24 24 ASN N N 24 122.292 122.292 120.914 1.378 25436 10220 1 18 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.638 0.434 25436 10221 1 18 . 1 1 24 24 ASN C C 24 175.830 175.830 175.575 0.255 25436 10222 1 18 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.270 -1.769 25436 10223 1 18 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.595 -3.004 25436 10224 1 18 . 1 1 24 24 ASN H H 24 8.975 8.975 8.924 0.051 25436 10225 1 18 . 1 1 25 25 THR N N 25 118.371 118.371 118.172 0.199 25436 10226 1 18 . 1 1 25 25 THR HA H 25 4.411 4.411 4.316 0.095 25436 10227 1 18 . 1 1 25 25 THR C C 25 175.285 175.285 175.023 0.262 25436 10228 1 18 . 1 1 25 25 THR CA C 25 63.453 63.453 62.284 1.169 25436 10229 1 18 . 1 1 25 25 THR CB C 25 67.150 67.150 68.785 -1.635 25436 10230 1 18 . 1 1 25 25 THR H H 25 8.466 8.466 8.247 0.219 25436 10231 1 18 . 1 1 26 26 LEU N N 26 121.017 121.017 120.431 0.586 25436 10232 1 18 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.412 -0.205 25436 10233 1 18 . 1 1 26 26 LEU C C 26 178.243 178.243 177.102 1.141 25436 10234 1 18 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.551 0.188 25436 10235 1 18 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.064 -0.932 25436 10236 1 18 . 1 1 26 26 LEU H H 26 7.583 7.583 7.894 -0.311 25436 10237 1 18 . 1 1 27 27 VAL N N 27 115.968 115.968 114.957 1.011 25436 10238 1 18 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.225 -0.200 25436 10239 1 18 . 1 1 27 27 VAL C C 27 175.199 175.199 176.505 -1.306 25436 10240 1 18 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.159 1.050 25436 10241 1 18 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.810 1.372 25436 10242 1 18 . 1 1 27 27 VAL H H 27 6.846 6.846 7.505 -0.659 25436 10243 1 18 . 1 1 28 28 VAL N N 28 121.753 121.753 120.197 1.556 25436 10244 1 18 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.974 -0.107 25436 10245 1 18 . 1 1 28 28 VAL C C 28 174.351 174.351 174.951 -0.600 25436 10246 1 18 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.478 0.702 25436 10247 1 18 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.173 -1.128 25436 10248 1 18 . 1 1 28 28 VAL H H 28 8.389 8.389 7.400 0.989 25436 10249 1 18 . 1 1 29 29 LYS N N 29 124.108 124.108 123.534 0.574 25436 10250 1 18 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.508 0.120 25436 10251 1 18 . 1 1 29 29 LYS C C 29 177.958 177.958 176.513 1.445 25436 10252 1 18 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.073 -0.413 25436 10253 1 18 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.311 0.145 25436 10254 1 18 . 1 1 29 29 LYS H H 29 8.929 8.929 8.039 0.890 25436 10255 1 18 . 1 1 30 30 LYS N N 30 123.352 123.352 122.144 1.208 25436 10256 1 18 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.893 -0.230 25436 10257 1 18 . 1 1 30 30 LYS C C 30 177.638 177.638 178.003 -0.365 25436 10258 1 18 . 1 1 30 30 LYS CA C 30 61.400 61.400 60.150 1.250 25436 10259 1 18 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.042 0.614 25436 10260 1 18 . 1 1 30 30 LYS H H 30 8.994 8.994 8.781 0.213 25436 10261 1 18 . 1 1 31 31 SER N N 31 111.491 111.491 112.184 -0.693 25436 10262 1 18 . 1 1 31 31 SER HA H 31 4.175 4.175 4.367 -0.192 25436 10263 1 18 . 1 1 31 31 SER C C 31 177.616 177.616 174.798 2.818 25436 10264 1 18 . 1 1 31 31 SER CA C 31 61.402 61.402 59.779 1.623 25436 10265 1 18 . 1 1 31 31 SER CB C 31 61.541 61.541 62.931 -1.390 25436 10266 1 18 . 1 1 31 31 SER H H 31 8.686 8.686 8.427 0.259 25436 10267 1 18 . 1 1 32 32 ASP N N 32 122.114 122.114 121.948 0.166 25436 10268 1 18 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.724 -0.200 25436 10269 1 18 . 1 1 32 32 ASP C C 32 178.193 178.193 177.604 0.589 25436 10270 1 18 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.979 0.216 25436 10271 1 18 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.358 0.456 25436 10272 1 18 . 1 1 32 32 ASP H H 32 7.147 7.147 7.787 -0.640 25436 10273 1 18 . 1 1 33 33 VAL N N 33 120.064 120.064 119.673 0.391 25436 10274 1 18 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.826 -0.358 25436 10275 1 18 . 1 1 33 33 VAL C C 33 178.623 178.623 177.297 1.326 25436 10276 1 18 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.511 0.826 25436 10277 1 18 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.924 -0.628 25436 10278 1 18 . 1 1 33 33 VAL H H 33 7.939 7.939 7.788 0.151 25436 10279 1 18 . 1 1 34 34 GLU N N 34 118.713 118.713 116.190 2.523 25436 10280 1 18 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.138 -0.379 25436 10281 1 18 . 1 1 34 34 GLU C C 34 178.700 178.700 176.188 2.512 25436 10282 1 18 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.624 2.879 25436 10283 1 18 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.178 0.152 25436 10284 1 18 . 1 1 34 34 GLU H H 34 8.641 8.641 7.943 0.698 25436 10285 1 18 . 1 1 35 35 ALA N N 35 121.519 121.519 119.945 1.574 25436 10286 1 18 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.587 -0.437 25436 10287 1 18 . 1 1 35 35 ALA C C 35 180.482 180.482 178.014 2.468 25436 10288 1 18 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.849 2.692 25436 10289 1 18 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.378 -2.321 25436 10290 1 18 . 1 1 35 35 ALA H H 35 7.818 7.818 7.634 0.184 25436 10291 1 18 . 1 1 36 36 ILE N N 36 117.410 117.410 117.686 -0.276 25436 10292 1 18 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.149 -0.481 25436 10293 1 18 . 1 1 36 36 ILE C C 36 178.664 178.664 176.435 2.229 25436 10294 1 18 . 1 1 36 36 ILE CA C 36 64.790 64.790 63.002 1.788 25436 10295 1 18 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.190 0.595 25436 10296 1 18 . 1 1 36 36 ILE H H 36 7.778 7.778 7.699 0.079 25436 10297 1 18 . 1 1 37 37 PHE N N 37 113.502 113.502 116.922 -3.420 25436 10298 1 18 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.892 -0.529 25436 10299 1 18 . 1 1 37 37 PHE C C 37 179.622 179.622 177.322 2.300 25436 10300 1 18 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.507 4.196 25436 10301 1 18 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.526 -3.342 25436 10302 1 18 . 1 1 37 37 PHE H H 37 8.587 8.587 7.825 0.762 25436 10303 1 18 . 1 1 38 38 SER N N 38 122.010 122.010 115.487 6.523 25436 10304 1 18 . 1 1 38 38 SER HA H 38 4.819 4.819 4.732 0.087 25436 10305 1 18 . 1 1 38 38 SER C C 38 175.438 175.438 175.376 0.062 25436 10306 1 18 . 1 1 38 38 SER CA C 38 61.462 61.462 59.727 1.735 25436 10307 1 18 . 1 1 38 38 SER CB C 38 62.737 62.737 62.869 -0.132 25436 10308 1 18 . 1 1 38 38 SER H H 38 8.827 8.827 8.708 0.119 25436 10309 1 18 . 1 1 39 39 LYS N N 39 119.345 119.345 117.547 1.798 25436 10310 1 18 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.231 -0.264 25436 10311 1 18 . 1 1 39 39 LYS C C 39 177.063 177.063 176.224 0.839 25436 10312 1 18 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.314 0.945 25436 10313 1 18 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.757 -0.195 25436 10314 1 18 . 1 1 39 39 LYS H H 39 7.057 7.057 8.189 -1.132 25436 10315 1 18 . 1 1 40 40 TYR N N 40 114.420 114.420 118.981 -4.561 25436 10316 1 18 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.551 -0.270 25436 10317 1 18 . 1 1 40 40 TYR C C 40 174.841 174.841 174.360 0.481 25436 10318 1 18 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.869 0.987 25436 10319 1 18 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.511 -2.150 25436 10320 1 18 . 1 1 40 40 TYR H H 40 6.956 6.956 7.588 -0.632 25436 10321 1 18 . 1 1 41 41 GLY N N 41 106.506 106.506 105.406 1.100 25436 10322 1 18 . 1 1 41 41 GLY C C 41 170.572 170.572 172.170 -1.598 25436 10323 1 18 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.305 -0.734 25436 10324 1 18 . 1 1 41 41 GLY H H 41 7.430 7.430 7.427 0.003 25436 10325 1 18 . 1 1 42 42 LYS N N 42 117.771 117.771 121.257 -3.486 25436 10326 1 18 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.595 -0.394 25436 10327 1 18 . 1 1 42 42 LYS C C 42 176.535 176.535 176.314 0.221 25436 10328 1 18 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.584 2.547 25436 10329 1 18 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.611 0.345 25436 10330 1 18 . 1 1 42 42 LYS H H 42 8.037 8.037 8.337 -0.300 25436 10331 1 18 . 1 1 43 43 ILE N N 43 127.134 127.134 127.239 -0.105 25436 10332 1 18 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.387 -0.361 25436 10333 1 18 . 1 1 43 43 ILE C C 43 176.992 176.992 176.130 0.862 25436 10334 1 18 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.994 -0.598 25436 10335 1 18 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.641 0.226 25436 10336 1 18 . 1 1 43 43 ILE H H 43 8.720 8.720 8.500 0.220 25436 10337 1 18 . 1 1 44 44 VAL N N 44 121.988 121.988 119.974 2.014 25436 10338 1 18 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.573 -0.205 25436 10339 1 18 . 1 1 44 44 VAL C C 44 176.854 176.854 175.289 1.565 25436 10340 1 18 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.738 1.147 25436 10341 1 18 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.176 -0.704 25436 10342 1 18 . 1 1 44 44 VAL H H 44 8.707 8.707 8.963 -0.256 25436 10343 1 18 . 1 1 45 45 GLY N N 45 109.497 109.497 108.516 0.981 25436 10344 1 18 . 1 1 45 45 GLY C C 45 171.265 171.265 172.391 -1.126 25436 10345 1 18 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.726 -0.709 25436 10346 1 18 . 1 1 45 45 GLY H H 45 7.541 7.541 7.764 -0.223 25436 10347 1 18 . 1 1 46 46 CYS N N 46 124.565 124.565 118.851 5.714 25436 10348 1 18 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.513 -0.502 25436 10349 1 18 . 1 1 46 46 CYS C C 46 172.072 172.072 172.537 -0.465 25436 10350 1 18 . 1 1 46 46 CYS CA C 46 57.984 57.984 56.813 1.171 25436 10351 1 18 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.911 -3.582 25436 10352 1 18 . 1 1 46 46 CYS H H 46 8.983 8.983 8.744 0.239 25436 10353 1 18 . 1 1 47 47 SER N N 47 122.911 122.911 114.869 8.042 25436 10354 1 18 . 1 1 47 47 SER HA H 47 4.906 4.906 4.727 0.179 25436 10355 1 18 . 1 1 47 47 SER C C 47 171.848 171.848 171.797 0.051 25436 10356 1 18 . 1 1 47 47 SER CA C 47 56.487 56.487 57.692 -1.205 25436 10357 1 18 . 1 1 47 47 SER CB C 47 65.679 65.679 66.024 -0.345 25436 10358 1 18 . 1 1 47 47 SER H H 47 8.568 8.568 9.204 -0.636 25436 10359 1 18 . 1 1 48 48 VAL N N 48 121.488 121.488 120.199 1.289 25436 10360 1 18 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.321 -0.179 25436 10361 1 18 . 1 1 48 48 VAL C C 48 173.990 173.990 173.852 0.138 25436 10362 1 18 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.000 1.247 25436 10363 1 18 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.706 -0.839 25436 10364 1 18 . 1 1 48 48 VAL H H 48 8.588 8.588 8.214 0.374 25436 10365 1 18 . 1 1 49 49 HIS N N 49 130.227 130.227 124.779 5.448 25436 10366 1 18 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.713 -0.304 25436 10367 1 18 . 1 1 49 49 HIS C C 49 173.949 173.949 173.820 0.129 25436 10368 1 18 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.198 0.468 25436 10369 1 18 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.312 -1.194 25436 10370 1 18 . 1 1 49 49 HIS H H 49 8.380 8.380 8.755 -0.375 25436 10371 1 18 . 1 1 50 50 LYS N N 50 121.171 121.171 120.076 1.095 25436 10372 1 18 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.035 0.399 25436 10373 1 18 . 1 1 50 50 LYS C C 50 175.527 175.527 177.466 -1.939 25436 10374 1 18 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.378 -0.460 25436 10375 1 18 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.530 -2.109 25436 10376 1 18 . 1 1 50 50 LYS H H 50 7.717 7.717 8.022 -0.305 25436 10377 1 18 . 1 1 51 51 GLY N N 51 113.993 113.993 112.374 1.619 25436 10378 1 18 . 1 1 51 51 GLY C C 51 174.252 174.252 172.929 1.323 25436 10379 1 18 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.370 -0.962 25436 10380 1 18 . 1 1 51 51 GLY H H 51 9.404 9.404 8.727 0.677 25436 10381 1 18 . 1 1 52 52 PHE N N 52 112.326 112.326 114.755 -2.429 25436 10382 1 18 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.634 -0.342 25436 10383 1 18 . 1 1 52 52 PHE C C 52 171.605 171.605 172.977 -1.372 25436 10384 1 18 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.288 0.966 25436 10385 1 18 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.577 -0.536 25436 10386 1 18 . 1 1 52 52 PHE H H 52 7.006 7.006 7.055 -0.049 25436 10387 1 18 . 1 1 53 53 ALA N N 53 119.722 119.722 119.133 0.589 25436 10388 1 18 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.876 -0.068 25436 10389 1 18 . 1 1 53 53 ALA C C 53 173.029 173.029 174.538 -1.509 25436 10390 1 18 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.063 -0.767 25436 10391 1 18 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.555 2.244 25436 10392 1 18 . 1 1 53 53 ALA H H 53 8.677 8.677 8.604 0.073 25436 10393 1 18 . 1 1 54 54 PHE N N 54 112.104 112.104 116.586 -4.482 25436 10394 1 18 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.574 0.005 25436 10395 1 18 . 1 1 54 54 PHE C C 54 175.794 175.794 174.025 1.769 25436 10396 1 18 . 1 1 54 54 PHE CA C 54 56.714 56.714 57.093 -0.379 25436 10397 1 18 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.391 -0.105 25436 10398 1 18 . 1 1 54 54 PHE H H 54 8.797 8.797 8.436 0.361 25436 10399 1 18 . 1 1 55 55 VAL N N 55 118.542 118.542 121.037 -2.495 25436 10400 1 18 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.316 -0.103 25436 10401 1 18 . 1 1 55 55 VAL C C 55 172.806 172.806 173.722 -0.916 25436 10402 1 18 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.105 0.823 25436 10403 1 18 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.768 -0.848 25436 10404 1 18 . 1 1 55 55 VAL H H 55 8.295 8.295 8.676 -0.381 25436 10405 1 18 . 1 1 56 56 GLN N N 56 128.473 128.473 125.002 3.471 25436 10406 1 18 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.738 -0.168 25436 10407 1 18 . 1 1 56 56 GLN C C 56 173.893 173.893 174.336 -0.443 25436 10408 1 18 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.868 0.396 25436 10409 1 18 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.749 1.321 25436 10410 1 18 . 1 1 56 56 GLN H H 56 9.263 9.263 8.929 0.334 25436 10411 1 18 . 1 1 57 57 TYR N N 57 127.679 127.679 125.496 2.183 25436 10412 1 18 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.276 0.011 25436 10413 1 18 . 1 1 57 57 TYR C C 57 175.609 175.609 176.418 -0.809 25436 10414 1 18 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.011 1.657 25436 10415 1 18 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.434 -0.400 25436 10416 1 18 . 1 1 57 57 TYR H H 57 8.928 8.928 8.793 0.135 25436 10417 1 18 . 1 1 58 58 VAL N N 58 116.710 116.710 117.973 -1.263 25436 10418 1 18 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.921 0.194 25436 10419 1 18 . 1 1 58 58 VAL C C 58 175.859 175.859 175.222 0.637 25436 10420 1 18 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.208 -0.150 25436 10421 1 18 . 1 1 58 58 VAL CB C 58 33.013 33.013 31.972 1.041 25436 10422 1 18 . 1 1 58 58 VAL H H 58 9.479 9.479 8.694 0.785 25436 10423 1 18 . 1 1 59 59 ASN N N 59 112.455 112.455 113.533 -1.078 25436 10424 1 18 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.838 0.321 25436 10425 1 18 . 1 1 59 59 ASN C C 59 174.482 174.482 175.174 -0.692 25436 10426 1 18 . 1 1 59 59 ASN CA C 59 51.942 51.942 52.122 -0.180 25436 10427 1 18 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.107 2.085 25436 10428 1 18 . 1 1 59 59 ASN H H 59 7.218 7.218 7.525 -0.307 25436 10429 1 18 . 1 1 60 60 GLU N N 60 124.337 124.337 121.058 3.279 25436 10430 1 18 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.271 0.048 25436 10431 1 18 . 1 1 60 60 GLU C C 60 178.201 178.201 178.391 -0.190 25436 10432 1 18 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.332 -0.592 25436 10433 1 18 . 1 1 60 60 GLU CB C 60 30.357 30.357 30.084 0.273 25436 10434 1 18 . 1 1 60 60 GLU H H 60 8.808 8.808 8.959 -0.151 25436 10435 1 18 . 1 1 61 61 ARG N N 61 118.265 118.265 119.854 -1.589 25436 10436 1 18 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.056 -0.059 25436 10437 1 18 . 1 1 61 61 ARG C C 61 179.340 179.340 178.576 0.764 25436 10438 1 18 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.726 0.753 25436 10439 1 18 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.245 0.109 25436 10440 1 18 . 1 1 61 61 ARG H H 61 8.630 8.630 8.491 0.139 25436 10441 1 18 . 1 1 62 62 ASN N N 62 118.081 118.081 117.925 0.156 25436 10442 1 18 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.253 0.027 25436 10443 1 18 . 1 1 62 62 ASN C C 62 174.851 174.851 176.674 -1.823 25436 10444 1 18 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.271 0.181 25436 10445 1 18 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.252 0.766 25436 10446 1 18 . 1 1 62 62 ASN H H 62 7.785 7.785 9.064 -1.279 25436 10447 1 18 . 1 1 63 63 ALA N N 63 119.543 119.543 122.934 -3.391 25436 10448 1 18 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.454 -0.698 25436 10449 1 18 . 1 1 63 63 ALA C C 63 178.861 178.861 179.559 -0.698 25436 10450 1 18 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.007 -0.046 25436 10451 1 18 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.735 -0.195 25436 10452 1 18 . 1 1 63 63 ALA H H 63 6.779 6.779 7.308 -0.529 25436 10453 1 18 . 1 1 64 64 ARG N N 64 114.965 114.965 117.361 -2.396 25436 10454 1 18 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.091 -0.249 25436 10455 1 18 . 1 1 64 64 ARG C C 64 179.775 179.775 178.566 1.209 25436 10456 1 18 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.399 2.791 25436 10457 1 18 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.384 -0.072 25436 10458 1 18 . 1 1 64 64 ARG H H 64 8.755 8.755 8.320 0.435 25436 10459 1 18 . 1 1 65 65 ALA N N 65 123.704 123.704 121.843 1.861 25436 10460 1 18 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.220 -0.090 25436 10461 1 18 . 1 1 65 65 ALA C C 65 179.560 179.560 178.682 0.878 25436 10462 1 18 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.931 0.048 25436 10463 1 18 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.313 -0.421 25436 10464 1 18 . 1 1 65 65 ALA H H 65 7.823 7.823 7.550 0.273 25436 10465 1 18 . 1 1 66 66 ALA N N 66 123.797 123.797 119.115 4.682 25436 10466 1 18 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.518 -1.442 25436 10467 1 18 . 1 1 66 66 ALA C C 66 179.259 179.259 179.364 -0.105 25436 10468 1 18 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.069 0.219 25436 10469 1 18 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.159 0.116 25436 10470 1 18 . 1 1 66 66 ALA H H 66 7.545 7.545 7.524 0.021 25436 10471 1 18 . 1 1 67 67 VAL N N 67 116.549 116.549 118.065 -1.516 25436 10472 1 18 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.807 -0.453 25436 10473 1 18 . 1 1 67 67 VAL C C 67 177.744 177.744 176.505 1.239 25436 10474 1 18 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.068 0.465 25436 10475 1 18 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.703 0.266 25436 10476 1 18 . 1 1 67 67 VAL H H 67 7.619 7.619 8.521 -0.902 25436 10477 1 18 . 1 1 68 68 ALA N N 68 118.193 118.193 119.322 -1.129 25436 10478 1 18 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.468 -0.341 25436 10479 1 18 . 1 1 68 68 ALA C C 68 180.748 180.748 177.958 2.790 25436 10480 1 18 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.805 1.556 25436 10481 1 18 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.354 -1.226 25436 10482 1 18 . 1 1 68 68 ALA H H 68 7.550 7.550 7.482 0.068 25436 10483 1 18 . 1 1 69 69 GLY N N 69 103.773 103.773 107.720 -3.947 25436 10484 1 18 . 1 1 69 69 GLY C C 69 175.626 175.626 175.216 0.410 25436 10485 1 18 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.689 0.437 25436 10486 1 18 . 1 1 69 69 GLY H H 69 8.140 8.140 7.531 0.609 25436 10487 1 18 . 1 1 70 70 GLU N N 70 114.547 114.547 118.752 -4.205 25436 10488 1 18 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.305 0.331 25436 10489 1 18 . 1 1 70 70 GLU C C 70 176.391 176.391 175.350 1.041 25436 10490 1 18 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.538 -0.379 25436 10491 1 18 . 1 1 70 70 GLU CB C 70 31.265 31.265 30.610 0.655 25436 10492 1 18 . 1 1 70 70 GLU H H 70 7.654 7.654 7.733 -0.079 25436 10493 1 18 . 1 1 71 71 ASP N N 71 118.202 118.202 120.025 -1.823 25436 10494 1 18 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.292 -0.005 25436 10495 1 18 . 1 1 71 71 ASP C C 71 178.698 178.698 177.712 0.986 25436 10496 1 18 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.025 1.506 25436 10497 1 18 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.933 0.438 25436 10498 1 18 . 1 1 71 71 ASP H H 71 8.020 8.020 7.472 0.548 25436 10499 1 18 . 1 1 72 72 GLY N N 72 114.301 114.301 114.607 -0.306 25436 10500 1 18 . 1 1 72 72 GLY C C 72 173.791 173.791 173.617 0.174 25436 10501 1 18 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.181 0.578 25436 10502 1 18 . 1 1 72 72 GLY H H 72 8.305 8.305 8.417 -0.112 25436 10503 1 18 . 1 1 73 73 ARG N N 73 121.994 121.994 118.426 3.568 25436 10504 1 18 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.539 -0.344 25436 10505 1 18 . 1 1 73 73 ARG C C 73 175.187 175.187 174.881 0.306 25436 10506 1 18 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.756 1.746 25436 10507 1 18 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.823 -0.571 25436 10508 1 18 . 1 1 73 73 ARG H H 73 7.980 7.980 7.729 0.251 25436 10509 1 18 . 1 1 74 74 MET N N 74 125.081 125.081 121.977 3.104 25436 10510 1 18 . 1 1 74 74 MET HA H 74 4.823 4.823 5.107 -0.284 25436 10511 1 18 . 1 1 74 74 MET C C 74 175.726 175.726 175.122 0.604 25436 10512 1 18 . 1 1 74 74 MET CA C 74 55.029 55.029 55.175 -0.146 25436 10513 1 18 . 1 1 74 74 MET CB C 74 33.092 33.092 34.586 -1.494 25436 10514 1 18 . 1 1 74 74 MET H H 74 8.712 8.712 8.410 0.302 25436 10515 1 18 . 1 1 75 75 ILE N N 75 127.490 127.490 125.559 1.931 25436 10516 1 18 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.481 -0.099 25436 10517 1 18 . 1 1 75 75 ILE C C 75 175.276 175.276 175.544 -0.268 25436 10518 1 18 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.846 -1.042 25436 10519 1 18 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.093 -0.697 25436 10520 1 18 . 1 1 75 75 ILE H H 75 8.589 8.589 8.943 -0.354 25436 10521 1 18 . 1 1 76 76 ALA N N 76 132.147 132.147 127.677 4.470 25436 10522 1 18 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.039 -0.001 25436 10523 1 18 . 1 1 76 76 ALA C C 76 177.205 177.205 177.717 -0.512 25436 10524 1 18 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.086 -1.152 25436 10525 1 18 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.026 0.122 25436 10526 1 18 . 1 1 76 76 ALA H H 76 9.547 9.547 8.965 0.582 25436 10527 1 18 . 1 1 77 77 GLY N N 77 101.695 101.695 101.803 -0.108 25436 10528 1 18 . 1 1 77 77 GLY C C 77 174.205 174.205 174.129 0.076 25436 10529 1 18 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.930 0.833 25436 10530 1 18 . 1 1 77 77 GLY H H 77 8.445 8.445 8.330 0.115 25436 10531 1 18 . 1 1 78 78 GLN N N 78 119.020 119.020 118.677 0.343 25436 10532 1 18 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.713 0.016 25436 10533 1 18 . 1 1 78 78 GLN C C 78 174.046 174.046 174.228 -0.182 25436 10534 1 18 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.164 0.030 25436 10535 1 18 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.952 -1.063 25436 10536 1 18 . 1 1 78 78 GLN H H 78 7.720 7.720 7.875 -0.155 25436 10537 1 18 . 1 1 79 79 VAL N N 79 123.374 123.374 121.536 1.838 25436 10538 1 18 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.955 -0.943 25436 10539 1 18 . 1 1 79 79 VAL C C 79 176.347 176.347 175.659 0.688 25436 10540 1 18 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.263 1.392 25436 10541 1 18 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.015 -0.931 25436 10542 1 18 . 1 1 79 79 VAL H H 79 8.532 8.532 8.399 0.133 25436 10543 1 18 . 1 1 80 80 LEU N N 80 128.569 128.569 122.465 6.104 25436 10544 1 18 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.918 -0.631 25436 10545 1 18 . 1 1 80 80 LEU C C 80 176.521 176.521 175.288 1.233 25436 10546 1 18 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.122 3.941 25436 10547 1 18 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.167 -0.346 25436 10548 1 18 . 1 1 80 80 LEU H H 80 9.014 9.014 8.200 0.814 25436 10549 1 18 . 1 1 81 81 ASP N N 81 124.359 124.359 122.492 1.867 25436 10550 1 18 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.129 0.096 25436 10551 1 18 . 1 1 81 81 ASP C C 81 174.659 174.659 175.337 -0.678 25436 10552 1 18 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.804 0.151 25436 10553 1 18 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.568 1.104 25436 10554 1 18 . 1 1 81 81 ASP H H 81 7.850 7.850 8.393 -0.543 25436 10555 1 18 . 1 1 82 82 ILE N N 82 123.155 123.155 126.598 -3.443 25436 10556 1 18 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.877 0.525 25436 10557 1 18 . 1 1 82 82 ILE C C 82 174.520 174.520 175.228 -0.708 25436 10558 1 18 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.162 -0.930 25436 10559 1 18 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.677 1.286 25436 10560 1 18 . 1 1 82 82 ILE H H 82 9.086 9.086 8.517 0.569 25436 10561 1 18 . 1 1 83 83 ASN N N 83 116.417 116.417 122.366 -5.949 25436 10562 1 18 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.948 -0.101 25436 10563 1 18 . 1 1 83 83 ASN C C 83 174.565 174.565 173.666 0.899 25436 10564 1 18 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.109 0.939 25436 10565 1 18 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.275 0.835 25436 10566 1 18 . 1 1 83 83 ASN H H 83 8.495 8.495 8.455 0.040 25436 10567 1 18 . 1 1 84 84 LEU N N 84 123.786 123.786 122.683 1.103 25436 10568 1 18 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.381 0.341 25436 10569 1 18 . 1 1 84 84 LEU C C 84 180.968 180.968 178.429 2.539 25436 10570 1 18 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.046 0.254 25436 10571 1 18 . 1 1 84 84 LEU CB C 84 41.316 41.316 42.600 -1.284 25436 10572 1 18 . 1 1 84 84 LEU H H 84 9.427 9.427 8.863 0.564 25436 10573 1 18 . 1 1 85 85 ALA N N 85 127.571 127.571 127.623 -0.052 25436 10574 1 18 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.367 -0.319 25436 10575 1 18 . 1 1 85 85 ALA C C 85 177.931 177.931 176.622 1.309 25436 10576 1 18 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.082 2.214 25436 10577 1 18 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.078 -1.125 25436 10578 1 18 . 1 1 85 85 ALA H H 85 9.295 9.295 8.478 0.817 25436 10579 1 18 . 1 1 86 86 ALA N N 86 115.985 115.985 118.397 -2.412 25436 10580 1 18 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.420 -0.009 25436 10581 1 18 . 1 1 86 86 ALA C C 86 176.152 176.152 176.693 -0.541 25436 10582 1 18 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.991 -0.219 25436 10583 1 18 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.289 0.036 25436 10584 1 18 . 1 1 86 86 ALA H H 86 8.657 8.657 8.122 0.535 25436 10585 1 18 . 1 1 87 87 GLU N N 87 118.975 118.975 119.691 -0.716 25436 10586 1 18 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.589 0.146 25436 10587 1 18 . 1 1 87 87 GLU C C 87 171.676 171.676 173.882 -2.206 25436 10588 1 18 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.667 -0.519 25436 10589 1 18 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.093 -0.177 25436 10590 1 18 . 1 1 87 87 GLU H H 87 7.913 7.913 7.722 0.191 25436 10591 1 18 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.491 -0.144 25436 10592 1 18 . 1 1 88 88 PRO C C 88 177.303 177.303 176.505 0.798 25436 10593 1 18 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.229 -0.351 25436 10594 1 18 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.780 -0.878 25436 10595 1 18 . 1 1 89 89 LYS N N 89 121.335 121.335 121.269 0.066 25436 10596 1 18 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.578 -0.338 25436 10597 1 18 . 1 1 89 89 LYS C C 89 177.689 177.689 176.209 1.480 25436 10598 1 18 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.211 0.540 25436 10599 1 18 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.170 0.266 25436 10600 1 18 . 1 1 89 89 LYS H H 89 8.020 8.020 8.719 -0.699 25436 10601 1 18 . 1 1 90 90 VAL N N 90 120.786 120.786 119.529 1.257 25436 10602 1 18 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.257 -0.335 25436 10603 1 18 . 1 1 90 90 VAL C C 90 176.169 176.169 175.087 1.082 25436 10604 1 18 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.384 2.914 25436 10605 1 18 . 1 1 90 90 VAL CB C 90 32.267 32.267 34.546 -2.279 25436 10606 1 18 . 1 1 90 90 VAL H H 90 8.232 8.232 7.471 0.761 25436 10607 1 18 . 1 1 91 91 ASN N N 91 119.214 119.214 121.792 -2.578 25436 10608 1 18 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.687 -0.028 25436 10609 1 18 . 1 1 91 91 ASN C C 91 175.172 175.172 176.611 -1.439 25436 10610 1 18 . 1 1 91 91 ASN CA C 91 53.028 53.028 54.348 -1.320 25436 10611 1 18 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.601 -0.432 25436 10612 1 18 . 1 1 91 91 ASN H H 91 8.453 8.453 8.889 -0.436 25436 10613 1 18 . 1 1 92 92 ARG N N 92 120.709 120.709 115.962 4.747 25436 10614 1 18 . 1 1 92 92 ARG HA H 92 4.254 4.254 3.916 0.338 25436 10615 1 18 . 1 1 92 92 ARG C C 92 176.991 176.991 176.609 0.382 25436 10616 1 18 . 1 1 92 92 ARG CA C 92 56.500 56.500 58.317 -1.817 25436 10617 1 18 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.894 1.713 25436 10618 1 18 . 1 1 92 92 ARG H H 92 7.925 7.925 8.445 -0.520 25436 10619 1 18 . 1 1 93 93 GLY N N 93 110.299 110.299 106.550 3.749 25436 10620 1 18 . 1 1 93 93 GLY C C 93 174.245 174.245 174.627 -0.382 25436 10621 1 18 . 1 1 93 93 GLY CA C 93 45.416 45.416 45.874 -0.458 25436 10622 1 18 . 1 1 93 93 GLY H H 93 8.593 8.593 8.401 0.192 25436 10623 1 18 . 1 1 94 94 LYS N N 94 120.781 120.781 115.876 4.905 25436 10624 1 18 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.980 0.314 25436 10625 1 18 . 1 1 94 94 LYS C C 94 176.524 176.524 175.194 1.330 25436 10626 1 18 . 1 1 94 94 LYS CA C 94 56.107 56.107 58.227 -2.120 25436 10627 1 18 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.483 1.657 25436 10628 1 18 . 1 1 94 94 LYS H H 94 8.126 8.126 8.630 -0.504 25436 10629 1 18 . 1 1 95 95 ALA N N 95 125.012 125.012 117.693 7.319 25436 10630 1 18 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.727 -0.428 25436 10631 1 18 . 1 1 95 95 ALA C C 95 178.324 178.324 177.440 0.884 25436 10632 1 18 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.118 0.683 25436 10633 1 18 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.629 -1.451 25436 10634 1 18 . 1 1 95 95 ALA H H 95 8.435 8.435 7.442 0.993 25436 10635 1 18 . 1 1 96 96 GLY N N 96 108.312 108.312 106.550 1.762 25436 10636 1 18 . 1 1 96 96 GLY C C 96 174.095 174.095 174.642 -0.547 25436 10637 1 18 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.385 -1.103 25436 10638 1 18 . 1 1 96 96 GLY H H 96 8.414 8.414 8.603 -0.189 25436 10639 1 18 . 1 1 97 97 VAL N N 97 119.818 119.818 117.820 1.998 25436 10640 1 18 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.138 -0.066 25436 10641 1 18 . 1 1 97 97 VAL C C 97 176.155 176.155 176.067 0.088 25436 10642 1 18 . 1 1 97 97 VAL CA C 97 62.344 62.344 62.721 -0.376 25436 10643 1 18 . 1 1 97 97 VAL CB C 97 32.757 32.757 32.528 0.229 25436 10644 1 18 . 1 1 97 97 VAL H H 97 7.919 7.919 7.931 -0.012 25436 10645 1 18 . 1 1 98 98 LYS N N 98 125.912 125.912 121.884 4.028 25436 10646 1 18 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.316 0.017 25436 10647 1 18 . 1 1 98 98 LYS C C 98 176.426 176.426 176.676 -0.250 25436 10648 1 18 . 1 1 98 98 LYS CA C 98 56.169 56.169 56.252 -0.083 25436 10649 1 18 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.873 0.175 25436 10650 1 18 . 1 1 98 98 LYS H H 98 8.466 8.466 8.130 0.336 25436 10651 1 18 . 1 1 99 99 ARG N N 99 123.544 123.544 121.476 2.068 25436 10652 1 18 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.385 -0.016 25436 10653 1 18 . 1 1 99 99 ARG C C 99 176.230 176.230 176.848 -0.618 25436 10654 1 18 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.855 0.140 25436 10655 1 18 . 1 1 99 99 ARG CB C 99 31.164 31.164 30.712 0.452 25436 10656 1 18 . 1 1 99 99 ARG H H 99 8.468 8.468 8.479 -0.011 25436 10657 1 18 . 1 1 100 100 SER N N 100 117.781 117.781 117.554 0.227 25436 10658 1 18 . 1 1 100 100 SER HA H 100 4.452 4.452 4.652 -0.200 25436 10659 1 18 . 1 1 100 100 SER C C 100 174.555 174.555 175.846 -1.291 25436 10660 1 18 . 1 1 100 100 SER CA C 100 58.036 58.036 57.614 0.422 25436 10661 1 18 . 1 1 100 100 SER CB C 100 64.139 64.139 64.479 -0.340 25436 10662 1 18 . 1 1 100 100 SER H H 100 8.507 8.507 8.602 -0.095 25436 10663 1 18 . 1 1 101 101 ALA N N 101 126.090 126.090 127.201 -1.111 25436 10664 1 18 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.340 -0.070 25436 10665 1 18 . 1 1 101 101 ALA C C 101 178.046 178.046 178.011 0.035 25436 10666 1 18 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.262 -0.992 25436 10667 1 18 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.398 0.635 25436 10668 1 18 . 1 1 101 101 ALA H H 101 8.529 8.529 8.844 -0.315 25436 10669 1 18 . 1 1 102 102 ALA N N 102 121.750 121.750 118.532 3.218 25436 10670 1 18 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.350 -0.123 25436 10671 1 18 . 1 1 102 102 ALA C C 102 178.253 178.253 177.410 0.843 25436 10672 1 18 . 1 1 102 102 ALA CA C 102 52.995 52.995 53.229 -0.234 25436 10673 1 18 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.596 -0.518 25436 10674 1 18 . 1 1 102 102 ALA H H 102 8.219 8.219 7.969 0.250 25436 10675 1 18 . 1 1 103 103 GLU N N 103 118.819 118.819 116.455 2.364 25436 10676 1 18 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.487 -0.285 25436 10677 1 18 . 1 1 103 103 GLU C C 103 176.515 176.515 176.791 -0.276 25436 10678 1 18 . 1 1 103 103 GLU CA C 103 56.669 56.669 56.165 0.504 25436 10679 1 18 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.678 -0.516 25436 10680 1 18 . 1 1 103 103 GLU H H 103 8.100 8.100 8.094 0.006 25436 10681 1 18 . 1 1 104 104 MET N N 104 120.178 120.178 118.379 1.799 25436 10682 1 18 . 1 1 104 104 MET HA H 104 4.332 4.332 4.259 0.073 25436 10683 1 18 . 1 1 104 104 MET C C 104 175.861 175.861 176.012 -0.151 25436 10684 1 18 . 1 1 104 104 MET CA C 104 55.869 55.869 57.723 -1.854 25436 10685 1 18 . 1 1 104 104 MET CB C 104 32.993 32.993 33.502 -0.509 25436 10686 1 18 . 1 1 104 104 MET H H 104 8.086 8.086 7.897 0.189 25436 10687 1 18 . 1 1 105 105 TYR N N 105 120.369 120.369 116.387 3.982 25436 10688 1 18 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.571 0.081 25436 10689 1 18 . 1 1 105 105 TYR C C 105 175.318 175.318 176.344 -1.026 25436 10690 1 18 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.502 0.083 25436 10691 1 18 . 1 1 105 105 TYR CB C 105 38.891 38.891 39.070 -0.179 25436 10692 1 18 . 1 1 105 105 TYR H H 105 8.137 8.137 7.829 0.308 25436 10693 1 19 . 1 1 3 3 SER HA H 3 4.564 4.564 4.566 -0.002 25436 10694 1 19 . 1 1 3 3 SER C C 3 173.407 173.407 175.070 -1.663 25436 10695 1 19 . 1 1 3 3 SER CA C 3 58.309 58.309 56.893 1.416 25436 10696 1 19 . 1 1 3 3 SER CB C 3 63.980 63.980 63.902 0.078 25436 10697 1 19 . 1 1 4 4 ASN N N 4 120.204 120.204 119.069 1.135 25436 10698 1 19 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.098 0.119 25436 10699 1 19 . 1 1 4 4 ASN C C 4 176.242 176.242 173.872 2.370 25436 10700 1 19 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.186 0.849 25436 10701 1 19 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.883 -0.168 25436 10702 1 19 . 1 1 4 4 ASN H H 4 8.783 8.783 8.619 0.164 25436 10703 1 19 . 1 1 5 5 VAL N N 5 122.598 122.598 119.291 3.307 25436 10704 1 19 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.365 -0.595 25436 10705 1 19 . 1 1 5 5 VAL C C 5 177.222 177.222 175.130 2.092 25436 10706 1 19 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.553 4.253 25436 10707 1 19 . 1 1 5 5 VAL CB C 5 30.855 30.855 33.650 -2.795 25436 10708 1 19 . 1 1 5 5 VAL H H 5 8.326 8.326 7.507 0.819 25436 10709 1 19 . 1 1 6 6 THR N N 6 118.450 118.450 114.734 3.716 25436 10710 1 19 . 1 1 6 6 THR HA H 6 4.682 4.682 4.568 0.114 25436 10711 1 19 . 1 1 6 6 THR C C 6 174.349 174.349 173.321 1.028 25436 10712 1 19 . 1 1 6 6 THR CA C 6 60.542 60.542 61.713 -1.171 25436 10713 1 19 . 1 1 6 6 THR CB C 6 69.771 69.771 69.535 0.236 25436 10714 1 19 . 1 1 6 6 THR H H 6 9.391 9.391 8.507 0.884 25436 10715 1 19 . 1 1 7 7 ASN N N 7 120.847 120.847 116.944 3.903 25436 10716 1 19 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.519 0.036 25436 10717 1 19 . 1 1 7 7 ASN C C 7 176.863 176.863 175.791 1.072 25436 10718 1 19 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.575 -0.666 25436 10719 1 19 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.796 0.263 25436 10720 1 19 . 1 1 7 7 ASN H H 7 7.970 7.970 7.907 0.063 25436 10721 1 19 . 1 1 8 8 LYS N N 8 121.736 121.736 121.400 0.336 25436 10722 1 19 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.316 -0.062 25436 10723 1 19 . 1 1 8 8 LYS C C 8 180.141 180.141 176.614 3.527 25436 10724 1 19 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.427 1.794 25436 10725 1 19 . 1 1 8 8 LYS CB C 8 32.290 32.290 33.074 -0.784 25436 10726 1 19 . 1 1 8 8 LYS H H 8 8.577 8.577 8.070 0.507 25436 10727 1 19 . 1 1 9 9 THR N N 9 110.800 110.800 110.048 0.752 25436 10728 1 19 . 1 1 9 9 THR HA H 9 4.467 4.467 4.452 0.015 25436 10729 1 19 . 1 1 9 9 THR C C 9 174.484 174.484 173.570 0.914 25436 10730 1 19 . 1 1 9 9 THR CA C 9 61.242 61.242 60.740 0.502 25436 10731 1 19 . 1 1 9 9 THR CB C 9 69.009 69.009 69.495 -0.486 25436 10732 1 19 . 1 1 9 9 THR H H 9 8.695 8.695 8.152 0.543 25436 10733 1 19 . 1 1 10 10 ASP N N 10 120.937 120.937 123.495 -2.558 25436 10734 1 19 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.754 0.069 25436 10735 1 19 . 1 1 10 10 ASP C C 10 173.945 173.945 176.796 -2.851 25436 10736 1 19 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.339 -0.853 25436 10737 1 19 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.450 -1.900 25436 10738 1 19 . 1 1 10 10 ASP H H 10 7.908 7.908 7.972 -0.064 25436 10739 1 19 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.395 -0.245 25436 10740 1 19 . 1 1 11 11 PRO C C 11 178.420 178.420 176.442 1.978 25436 10741 1 19 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.721 1.492 25436 10742 1 19 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.012 0.143 25436 10743 1 19 . 1 1 12 12 ARG N N 12 116.349 116.349 113.709 2.640 25436 10744 1 19 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.786 -0.691 25436 10745 1 19 . 1 1 12 12 ARG C C 12 180.445 180.445 176.545 3.900 25436 10746 1 19 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.505 3.066 25436 10747 1 19 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.110 -0.875 25436 10748 1 19 . 1 1 12 12 ARG H H 12 7.944 7.944 8.111 -0.167 25436 10749 1 19 . 1 1 13 13 SER N N 13 119.401 119.401 115.948 3.453 25436 10750 1 19 . 1 1 13 13 SER HA H 13 4.053 4.053 4.657 -0.604 25436 10751 1 19 . 1 1 13 13 SER C C 13 175.325 175.325 175.414 -0.089 25436 10752 1 19 . 1 1 13 13 SER CA C 13 61.500 61.500 59.875 1.625 25436 10753 1 19 . 1 1 13 13 SER CB C 13 61.798 61.798 63.886 -2.088 25436 10754 1 19 . 1 1 13 13 SER H H 13 8.152 8.152 7.501 0.651 25436 10755 1 19 . 1 1 14 14 MET N N 14 120.254 120.254 116.717 3.537 25436 10756 1 19 . 1 1 14 14 MET HA H 14 4.090 4.090 4.356 -0.266 25436 10757 1 19 . 1 1 14 14 MET C C 14 178.575 178.575 175.438 3.137 25436 10758 1 19 . 1 1 14 14 MET CA C 14 58.317 58.317 56.829 1.488 25436 10759 1 19 . 1 1 14 14 MET CB C 14 31.466 31.466 33.235 -1.769 25436 10760 1 19 . 1 1 14 14 MET H H 14 8.241 8.241 7.862 0.379 25436 10761 1 19 . 1 1 15 15 ASN N N 15 115.299 115.299 110.302 4.997 25436 10762 1 19 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.852 -0.226 25436 10763 1 19 . 1 1 15 15 ASN C C 15 172.554 172.554 176.136 -3.582 25436 10764 1 19 . 1 1 15 15 ASN CA C 15 54.060 54.060 52.980 1.080 25436 10765 1 19 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.876 -1.080 25436 10766 1 19 . 1 1 15 15 ASN H H 15 7.962 7.962 7.549 0.413 25436 10767 1 19 . 1 1 16 16 SER N N 16 106.079 106.079 113.662 -7.583 25436 10768 1 19 . 1 1 16 16 SER HA H 16 4.500 4.500 4.741 -0.241 25436 10769 1 19 . 1 1 16 16 SER C C 16 172.120 172.120 173.799 -1.679 25436 10770 1 19 . 1 1 16 16 SER CA C 16 56.814 56.814 58.258 -1.444 25436 10771 1 19 . 1 1 16 16 SER CB C 16 63.439 63.439 63.840 -0.401 25436 10772 1 19 . 1 1 16 16 SER H H 16 7.249 7.249 7.820 -0.571 25436 10773 1 19 . 1 1 17 17 ARG N N 17 123.335 123.335 121.663 1.672 25436 10774 1 19 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.200 0.385 25436 10775 1 19 . 1 1 17 17 ARG C C 17 174.490 174.490 174.828 -0.338 25436 10776 1 19 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.955 -0.591 25436 10777 1 19 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.994 -1.136 25436 10778 1 19 . 1 1 17 17 ARG H H 17 7.400 7.400 7.644 -0.244 25436 10779 1 19 . 1 1 18 18 VAL N N 18 122.241 122.241 121.865 0.376 25436 10780 1 19 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.673 0.044 25436 10781 1 19 . 1 1 18 18 VAL C C 18 174.862 174.862 174.267 0.595 25436 10782 1 19 . 1 1 18 18 VAL CA C 18 60.723 60.723 60.868 -0.145 25436 10783 1 19 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.659 0.622 25436 10784 1 19 . 1 1 18 18 VAL H H 18 9.264 9.264 8.983 0.281 25436 10785 1 19 . 1 1 19 19 PHE N N 19 125.933 125.933 129.236 -3.303 25436 10786 1 19 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.241 0.225 25436 10787 1 19 . 1 1 19 19 PHE C C 19 171.966 171.966 173.355 -1.389 25436 10788 1 19 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.302 1.821 25436 10789 1 19 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.756 -0.811 25436 10790 1 19 . 1 1 19 19 PHE H H 19 9.162 9.162 9.210 -0.048 25436 10791 1 19 . 1 1 20 20 ILE N N 20 126.425 126.425 126.720 -0.295 25436 10792 1 19 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.089 -0.220 25436 10793 1 19 . 1 1 20 20 ILE C C 20 173.048 173.048 174.124 -1.076 25436 10794 1 19 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.005 -0.674 25436 10795 1 19 . 1 1 20 20 ILE CB C 20 39.035 39.035 39.100 -0.065 25436 10796 1 19 . 1 1 20 20 ILE H H 20 7.723 7.723 7.880 -0.157 25436 10797 1 19 . 1 1 21 21 GLY N N 21 113.255 113.255 111.415 1.840 25436 10798 1 19 . 1 1 21 21 GLY C C 21 173.768 173.768 174.269 -0.501 25436 10799 1 19 . 1 1 21 21 GLY CA C 21 43.930 43.930 42.897 1.033 25436 10800 1 19 . 1 1 21 21 GLY H H 21 8.498 8.498 8.302 0.196 25436 10801 1 19 . 1 1 22 22 ASN N N 22 116.172 116.172 116.078 0.094 25436 10802 1 19 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.317 0.112 25436 10803 1 19 . 1 1 22 22 ASN C C 22 174.204 174.204 174.969 -0.765 25436 10804 1 19 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.099 -0.581 25436 10805 1 19 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.265 0.510 25436 10806 1 19 . 1 1 22 22 ASN H H 22 7.227 7.227 8.544 -1.317 25436 10807 1 19 . 1 1 23 23 LEU N N 23 119.429 119.429 119.407 0.022 25436 10808 1 19 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.341 -0.398 25436 10809 1 19 . 1 1 23 23 LEU C C 23 176.550 176.550 177.186 -0.636 25436 10810 1 19 . 1 1 23 23 LEU CA C 23 52.577 52.577 55.127 -2.550 25436 10811 1 19 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.250 1.118 25436 10812 1 19 . 1 1 23 23 LEU H H 23 7.110 7.110 7.237 -0.127 25436 10813 1 19 . 1 1 24 24 ASN N N 24 122.292 122.292 121.617 0.675 25436 10814 1 19 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.648 0.424 25436 10815 1 19 . 1 1 24 24 ASN C C 24 175.830 175.830 175.536 0.294 25436 10816 1 19 . 1 1 24 24 ASN CA C 24 51.501 51.501 53.333 -1.832 25436 10817 1 19 . 1 1 24 24 ASN CB C 24 35.591 35.591 36.925 -1.334 25436 10818 1 19 . 1 1 24 24 ASN H H 24 8.975 8.975 8.868 0.107 25436 10819 1 19 . 1 1 25 25 THR N N 25 118.371 118.371 113.307 5.064 25436 10820 1 19 . 1 1 25 25 THR HA H 25 4.411 4.411 4.033 0.378 25436 10821 1 19 . 1 1 25 25 THR C C 25 175.285 175.285 175.379 -0.094 25436 10822 1 19 . 1 1 25 25 THR CA C 25 63.453 63.453 64.493 -1.040 25436 10823 1 19 . 1 1 25 25 THR CB C 25 67.150 67.150 68.467 -1.317 25436 10824 1 19 . 1 1 25 25 THR H H 25 8.466 8.466 8.194 0.272 25436 10825 1 19 . 1 1 26 26 LEU N N 26 121.017 121.017 119.547 1.470 25436 10826 1 19 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.285 -0.078 25436 10827 1 19 . 1 1 26 26 LEU C C 26 178.243 178.243 177.000 1.243 25436 10828 1 19 . 1 1 26 26 LEU CA C 26 56.739 56.739 55.918 0.821 25436 10829 1 19 . 1 1 26 26 LEU CB C 26 41.132 41.132 41.464 -0.332 25436 10830 1 19 . 1 1 26 26 LEU H H 26 7.583 7.583 7.771 -0.188 25436 10831 1 19 . 1 1 27 27 VAL N N 27 115.968 115.968 115.069 0.899 25436 10832 1 19 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.301 -0.276 25436 10833 1 19 . 1 1 27 27 VAL C C 27 175.199 175.199 175.433 -0.234 25436 10834 1 19 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.601 0.608 25436 10835 1 19 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.387 0.795 25436 10836 1 19 . 1 1 27 27 VAL H H 27 6.846 6.846 8.164 -1.318 25436 10837 1 19 . 1 1 28 28 VAL N N 28 121.753 121.753 121.485 0.268 25436 10838 1 19 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.931 -0.064 25436 10839 1 19 . 1 1 28 28 VAL C C 28 174.351 174.351 174.399 -0.048 25436 10840 1 19 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.677 0.503 25436 10841 1 19 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.079 -1.034 25436 10842 1 19 . 1 1 28 28 VAL H H 28 8.389 8.389 7.490 0.899 25436 10843 1 19 . 1 1 29 29 LYS N N 29 124.108 124.108 120.655 3.453 25436 10844 1 19 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.521 0.107 25436 10845 1 19 . 1 1 29 29 LYS C C 29 177.958 177.958 176.467 1.491 25436 10846 1 19 . 1 1 29 29 LYS CA C 29 53.660 53.660 53.787 -0.127 25436 10847 1 19 . 1 1 29 29 LYS CB C 29 34.456 34.456 33.653 0.803 25436 10848 1 19 . 1 1 29 29 LYS H H 29 8.929 8.929 7.689 1.240 25436 10849 1 19 . 1 1 30 30 LYS N N 30 123.352 123.352 121.711 1.641 25436 10850 1 19 . 1 1 30 30 LYS HA H 30 3.663 3.663 4.025 -0.362 25436 10851 1 19 . 1 1 30 30 LYS C C 30 177.638 177.638 177.906 -0.268 25436 10852 1 19 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.670 2.730 25436 10853 1 19 . 1 1 30 30 LYS CB C 30 32.656 32.656 31.655 1.001 25436 10854 1 19 . 1 1 30 30 LYS H H 30 8.994 8.994 8.810 0.184 25436 10855 1 19 . 1 1 31 31 SER N N 31 111.491 111.491 112.972 -1.481 25436 10856 1 19 . 1 1 31 31 SER HA H 31 4.175 4.175 4.406 -0.231 25436 10857 1 19 . 1 1 31 31 SER C C 31 177.616 177.616 174.898 2.718 25436 10858 1 19 . 1 1 31 31 SER CA C 31 61.402 61.402 59.675 1.728 25436 10859 1 19 . 1 1 31 31 SER CB C 31 61.541 61.541 63.070 -1.529 25436 10860 1 19 . 1 1 31 31 SER H H 31 8.686 8.686 8.263 0.423 25436 10861 1 19 . 1 1 32 32 ASP N N 32 122.114 122.114 122.655 -0.541 25436 10862 1 19 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.714 -0.190 25436 10863 1 19 . 1 1 32 32 ASP C C 32 178.193 178.193 178.374 -0.181 25436 10864 1 19 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.559 0.636 25436 10865 1 19 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.426 0.387 25436 10866 1 19 . 1 1 32 32 ASP H H 32 7.147 7.147 7.913 -0.766 25436 10867 1 19 . 1 1 33 33 VAL N N 33 120.064 120.064 120.454 -0.390 25436 10868 1 19 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.830 -0.362 25436 10869 1 19 . 1 1 33 33 VAL C C 33 178.623 178.623 176.893 1.730 25436 10870 1 19 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.350 0.987 25436 10871 1 19 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.886 -0.590 25436 10872 1 19 . 1 1 33 33 VAL H H 33 7.939 7.939 7.569 0.370 25436 10873 1 19 . 1 1 34 34 GLU N N 34 118.713 118.713 116.274 2.439 25436 10874 1 19 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.225 -0.466 25436 10875 1 19 . 1 1 34 34 GLU C C 34 178.700 178.700 176.712 1.988 25436 10876 1 19 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.415 3.088 25436 10877 1 19 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.190 0.140 25436 10878 1 19 . 1 1 34 34 GLU H H 34 8.641 8.641 7.857 0.784 25436 10879 1 19 . 1 1 35 35 ALA N N 35 121.519 121.519 120.916 0.603 25436 10880 1 19 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.611 -0.461 25436 10881 1 19 . 1 1 35 35 ALA C C 35 180.482 180.482 177.898 2.584 25436 10882 1 19 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.746 2.796 25436 10883 1 19 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.550 -2.493 25436 10884 1 19 . 1 1 35 35 ALA H H 35 7.818 7.818 7.752 0.066 25436 10885 1 19 . 1 1 36 36 ILE N N 36 117.410 117.410 117.700 -0.290 25436 10886 1 19 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.030 -0.362 25436 10887 1 19 . 1 1 36 36 ILE C C 36 178.664 178.664 176.412 2.252 25436 10888 1 19 . 1 1 36 36 ILE CA C 36 64.790 64.790 63.228 1.562 25436 10889 1 19 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.663 0.122 25436 10890 1 19 . 1 1 36 36 ILE H H 36 7.778 7.778 7.717 0.061 25436 10891 1 19 . 1 1 37 37 PHE N N 37 113.502 113.502 118.658 -5.156 25436 10892 1 19 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.884 -0.521 25436 10893 1 19 . 1 1 37 37 PHE C C 37 179.622 179.622 177.299 2.323 25436 10894 1 19 . 1 1 37 37 PHE CA C 37 62.703 62.703 59.358 3.345 25436 10895 1 19 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.047 -2.863 25436 10896 1 19 . 1 1 37 37 PHE H H 37 8.587 8.587 8.036 0.551 25436 10897 1 19 . 1 1 38 38 SER N N 38 122.010 122.010 115.570 6.440 25436 10898 1 19 . 1 1 38 38 SER HA H 38 4.819 4.819 4.726 0.093 25436 10899 1 19 . 1 1 38 38 SER C C 38 175.438 175.438 175.553 -0.115 25436 10900 1 19 . 1 1 38 38 SER CA C 38 61.462 61.462 59.393 2.069 25436 10901 1 19 . 1 1 38 38 SER CB C 38 62.737 62.737 62.780 -0.043 25436 10902 1 19 . 1 1 38 38 SER H H 38 8.827 8.827 8.752 0.075 25436 10903 1 19 . 1 1 39 39 LYS N N 39 119.345 119.345 117.092 2.253 25436 10904 1 19 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.317 -0.350 25436 10905 1 19 . 1 1 39 39 LYS C C 39 177.063 177.063 176.563 0.500 25436 10906 1 19 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.211 1.048 25436 10907 1 19 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.739 -0.177 25436 10908 1 19 . 1 1 39 39 LYS H H 39 7.057 7.057 8.101 -1.044 25436 10909 1 19 . 1 1 40 40 TYR N N 40 114.420 114.420 119.363 -4.943 25436 10910 1 19 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.565 -0.284 25436 10911 1 19 . 1 1 40 40 TYR C C 40 174.841 174.841 174.427 0.414 25436 10912 1 19 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.831 1.025 25436 10913 1 19 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.398 -2.037 25436 10914 1 19 . 1 1 40 40 TYR H H 40 6.956 6.956 7.673 -0.717 25436 10915 1 19 . 1 1 41 41 GLY N N 41 106.506 106.506 105.352 1.154 25436 10916 1 19 . 1 1 41 41 GLY C C 41 170.572 170.572 172.161 -1.589 25436 10917 1 19 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.317 -0.746 25436 10918 1 19 . 1 1 41 41 GLY H H 41 7.430 7.430 7.447 -0.017 25436 10919 1 19 . 1 1 42 42 LYS N N 42 117.771 117.771 121.245 -3.474 25436 10920 1 19 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.619 -0.418 25436 10921 1 19 . 1 1 42 42 LYS C C 42 176.535 176.535 176.315 0.220 25436 10922 1 19 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.512 2.620 25436 10923 1 19 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.526 0.430 25436 10924 1 19 . 1 1 42 42 LYS H H 42 8.037 8.037 8.428 -0.391 25436 10925 1 19 . 1 1 43 43 ILE N N 43 127.134 127.134 127.191 -0.057 25436 10926 1 19 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.330 -0.304 25436 10927 1 19 . 1 1 43 43 ILE C C 43 176.992 176.992 176.071 0.921 25436 10928 1 19 . 1 1 43 43 ILE CA C 43 61.396 61.396 62.023 -0.627 25436 10929 1 19 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.549 0.318 25436 10930 1 19 . 1 1 43 43 ILE H H 43 8.720 8.720 8.528 0.192 25436 10931 1 19 . 1 1 44 44 VAL N N 44 121.988 121.988 119.930 2.058 25436 10932 1 19 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.565 -0.197 25436 10933 1 19 . 1 1 44 44 VAL C C 44 176.854 176.854 175.334 1.520 25436 10934 1 19 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.674 1.211 25436 10935 1 19 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.134 -0.662 25436 10936 1 19 . 1 1 44 44 VAL H H 44 8.707 8.707 8.969 -0.262 25436 10937 1 19 . 1 1 45 45 GLY N N 45 109.497 109.497 108.402 1.095 25436 10938 1 19 . 1 1 45 45 GLY C C 45 171.265 171.265 171.754 -0.489 25436 10939 1 19 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.663 -0.646 25436 10940 1 19 . 1 1 45 45 GLY H H 45 7.541 7.541 7.634 -0.093 25436 10941 1 19 . 1 1 46 46 CYS N N 46 124.565 124.565 121.553 3.012 25436 10942 1 19 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.455 -0.444 25436 10943 1 19 . 1 1 46 46 CYS C C 46 172.072 172.072 172.574 -0.502 25436 10944 1 19 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.366 0.618 25436 10945 1 19 . 1 1 46 46 CYS CB C 46 28.329 28.329 30.892 -2.563 25436 10946 1 19 . 1 1 46 46 CYS H H 46 8.983 8.983 8.453 0.530 25436 10947 1 19 . 1 1 47 47 SER N N 47 122.911 122.911 119.127 3.784 25436 10948 1 19 . 1 1 47 47 SER HA H 47 4.906 4.906 4.917 -0.011 25436 10949 1 19 . 1 1 47 47 SER C C 47 171.848 171.848 172.280 -0.432 25436 10950 1 19 . 1 1 47 47 SER CA C 47 56.487 56.487 57.478 -0.991 25436 10951 1 19 . 1 1 47 47 SER CB C 47 65.679 65.679 65.698 -0.019 25436 10952 1 19 . 1 1 47 47 SER H H 47 8.568 8.568 9.170 -0.602 25436 10953 1 19 . 1 1 48 48 VAL N N 48 121.488 121.488 119.947 1.541 25436 10954 1 19 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.170 -0.028 25436 10955 1 19 . 1 1 48 48 VAL C C 48 173.990 173.990 174.535 -0.545 25436 10956 1 19 . 1 1 48 48 VAL CA C 48 62.247 62.247 61.008 1.239 25436 10957 1 19 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.132 -1.265 25436 10958 1 19 . 1 1 48 48 VAL H H 48 8.588 8.588 8.338 0.250 25436 10959 1 19 . 1 1 49 49 HIS N N 49 130.227 130.227 123.534 6.693 25436 10960 1 19 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.588 -0.179 25436 10961 1 19 . 1 1 49 49 HIS C C 49 173.949 173.949 174.031 -0.082 25436 10962 1 19 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.150 0.516 25436 10963 1 19 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.445 -1.327 25436 10964 1 19 . 1 1 49 49 HIS H H 49 8.380 8.380 8.798 -0.418 25436 10965 1 19 . 1 1 50 50 LYS N N 50 121.171 121.171 121.630 -0.459 25436 10966 1 19 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.017 0.417 25436 10967 1 19 . 1 1 50 50 LYS C C 50 175.527 175.527 176.790 -1.263 25436 10968 1 19 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.754 -0.836 25436 10969 1 19 . 1 1 50 50 LYS CB C 50 30.421 30.421 30.808 -0.387 25436 10970 1 19 . 1 1 50 50 LYS H H 50 7.717 7.717 8.540 -0.823 25436 10971 1 19 . 1 1 51 51 GLY N N 51 113.993 113.993 111.083 2.910 25436 10972 1 19 . 1 1 51 51 GLY C C 51 174.252 174.252 172.932 1.320 25436 10973 1 19 . 1 1 51 51 GLY CA C 51 45.407 45.407 45.170 0.237 25436 10974 1 19 . 1 1 51 51 GLY H H 51 9.404 9.404 8.425 0.979 25436 10975 1 19 . 1 1 52 52 PHE N N 52 112.326 112.326 115.920 -3.594 25436 10976 1 19 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.550 -0.258 25436 10977 1 19 . 1 1 52 52 PHE C C 52 171.605 171.605 172.768 -1.163 25436 10978 1 19 . 1 1 52 52 PHE CA C 52 55.254 55.254 55.142 0.112 25436 10979 1 19 . 1 1 52 52 PHE CB C 52 41.041 41.041 40.952 0.089 25436 10980 1 19 . 1 1 52 52 PHE H H 52 7.006 7.006 7.010 -0.004 25436 10981 1 19 . 1 1 53 53 ALA N N 53 119.722 119.722 118.975 0.747 25436 10982 1 19 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.792 0.016 25436 10983 1 19 . 1 1 53 53 ALA C C 53 173.029 173.029 174.515 -1.486 25436 10984 1 19 . 1 1 53 53 ALA CA C 53 50.296 50.296 50.949 -0.653 25436 10985 1 19 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.496 2.303 25436 10986 1 19 . 1 1 53 53 ALA H H 53 8.677 8.677 8.490 0.187 25436 10987 1 19 . 1 1 54 54 PHE N N 54 112.104 112.104 116.756 -4.652 25436 10988 1 19 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.611 -0.031 25436 10989 1 19 . 1 1 54 54 PHE C C 54 175.794 175.794 174.318 1.476 25436 10990 1 19 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.837 -0.123 25436 10991 1 19 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.435 -0.149 25436 10992 1 19 . 1 1 54 54 PHE H H 54 8.797 8.797 8.988 -0.191 25436 10993 1 19 . 1 1 55 55 VAL N N 55 118.542 118.542 121.260 -2.718 25436 10994 1 19 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.461 -0.248 25436 10995 1 19 . 1 1 55 55 VAL C C 55 172.806 172.806 173.781 -0.975 25436 10996 1 19 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.153 0.775 25436 10997 1 19 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.631 -0.711 25436 10998 1 19 . 1 1 55 55 VAL H H 55 8.295 8.295 8.713 -0.418 25436 10999 1 19 . 1 1 56 56 GLN N N 56 128.473 128.473 125.528 2.945 25436 11000 1 19 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.779 -0.209 25436 11001 1 19 . 1 1 56 56 GLN C C 56 173.893 173.893 174.371 -0.478 25436 11002 1 19 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.841 0.423 25436 11003 1 19 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.555 1.515 25436 11004 1 19 . 1 1 56 56 GLN H H 56 9.263 9.263 8.947 0.316 25436 11005 1 19 . 1 1 57 57 TYR N N 57 127.679 127.679 125.597 2.082 25436 11006 1 19 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.251 0.036 25436 11007 1 19 . 1 1 57 57 TYR C C 57 175.609 175.609 176.611 -1.002 25436 11008 1 19 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.218 1.450 25436 11009 1 19 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.234 -0.200 25436 11010 1 19 . 1 1 57 57 TYR H H 57 8.928 8.928 8.801 0.127 25436 11011 1 19 . 1 1 58 58 VAL N N 58 116.710 116.710 118.129 -1.419 25436 11012 1 19 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.961 0.154 25436 11013 1 19 . 1 1 58 58 VAL C C 58 175.859 175.859 175.685 0.174 25436 11014 1 19 . 1 1 58 58 VAL CA C 58 64.058 64.058 63.803 0.255 25436 11015 1 19 . 1 1 58 58 VAL CB C 58 33.013 33.013 31.865 1.148 25436 11016 1 19 . 1 1 58 58 VAL H H 58 9.479 9.479 8.681 0.798 25436 11017 1 19 . 1 1 59 59 ASN N N 59 112.455 112.455 114.129 -1.674 25436 11018 1 19 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.818 0.341 25436 11019 1 19 . 1 1 59 59 ASN C C 59 174.482 174.482 175.046 -0.564 25436 11020 1 19 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.874 0.068 25436 11021 1 19 . 1 1 59 59 ASN CB C 59 42.192 42.192 39.838 2.354 25436 11022 1 19 . 1 1 59 59 ASN H H 59 7.218 7.218 7.555 -0.337 25436 11023 1 19 . 1 1 60 60 GLU N N 60 124.337 124.337 121.414 2.923 25436 11024 1 19 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.240 0.079 25436 11025 1 19 . 1 1 60 60 GLU C C 60 178.201 178.201 178.173 0.028 25436 11026 1 19 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.708 -0.967 25436 11027 1 19 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.968 0.389 25436 11028 1 19 . 1 1 60 60 GLU H H 60 8.808 8.808 8.994 -0.186 25436 11029 1 19 . 1 1 61 61 ARG N N 61 118.265 118.265 119.759 -1.494 25436 11030 1 19 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.025 -0.028 25436 11031 1 19 . 1 1 61 61 ARG C C 61 179.340 179.340 178.658 0.682 25436 11032 1 19 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.673 0.806 25436 11033 1 19 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.301 0.053 25436 11034 1 19 . 1 1 61 61 ARG H H 61 8.630 8.630 7.937 0.693 25436 11035 1 19 . 1 1 62 62 ASN N N 62 118.081 118.081 117.794 0.287 25436 11036 1 19 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.278 0.002 25436 11037 1 19 . 1 1 62 62 ASN C C 62 174.851 174.851 176.755 -1.904 25436 11038 1 19 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.230 0.222 25436 11039 1 19 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.324 0.694 25436 11040 1 19 . 1 1 62 62 ASN H H 62 7.785 7.785 8.925 -1.140 25436 11041 1 19 . 1 1 63 63 ALA N N 63 119.543 119.543 123.296 -3.753 25436 11042 1 19 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.429 -0.673 25436 11043 1 19 . 1 1 63 63 ALA C C 63 178.861 178.861 179.511 -0.650 25436 11044 1 19 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.122 -0.161 25436 11045 1 19 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.770 -0.230 25436 11046 1 19 . 1 1 63 63 ALA H H 63 6.779 6.779 7.400 -0.621 25436 11047 1 19 . 1 1 64 64 ARG N N 64 114.965 114.965 117.383 -2.418 25436 11048 1 19 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.068 -0.226 25436 11049 1 19 . 1 1 64 64 ARG C C 64 179.775 179.775 178.581 1.194 25436 11050 1 19 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.664 2.526 25436 11051 1 19 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.465 -0.152 25436 11052 1 19 . 1 1 64 64 ARG H H 64 8.755 8.755 8.537 0.218 25436 11053 1 19 . 1 1 65 65 ALA N N 65 123.704 123.704 121.697 2.007 25436 11054 1 19 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.175 -0.045 25436 11055 1 19 . 1 1 65 65 ALA C C 65 179.560 179.560 178.482 1.078 25436 11056 1 19 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.837 0.142 25436 11057 1 19 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.288 -0.396 25436 11058 1 19 . 1 1 65 65 ALA H H 65 7.823 7.823 7.552 0.271 25436 11059 1 19 . 1 1 66 66 ALA N N 66 123.797 123.797 119.046 4.751 25436 11060 1 19 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.470 -1.394 25436 11061 1 19 . 1 1 66 66 ALA C C 66 179.259 179.259 179.334 -0.075 25436 11062 1 19 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.050 0.238 25436 11063 1 19 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.173 0.102 25436 11064 1 19 . 1 1 66 66 ALA H H 66 7.545 7.545 7.487 0.058 25436 11065 1 19 . 1 1 67 67 VAL N N 67 116.549 116.549 118.023 -1.474 25436 11066 1 19 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.809 -0.455 25436 11067 1 19 . 1 1 67 67 VAL C C 67 177.744 177.744 176.535 1.209 25436 11068 1 19 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.048 0.485 25436 11069 1 19 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.725 0.244 25436 11070 1 19 . 1 1 67 67 VAL H H 67 7.619 7.619 8.479 -0.860 25436 11071 1 19 . 1 1 68 68 ALA N N 68 118.193 118.193 119.382 -1.189 25436 11072 1 19 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.460 -0.333 25436 11073 1 19 . 1 1 68 68 ALA C C 68 180.748 180.748 177.961 2.787 25436 11074 1 19 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.839 1.522 25436 11075 1 19 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.345 -1.217 25436 11076 1 19 . 1 1 68 68 ALA H H 68 7.550 7.550 7.483 0.067 25436 11077 1 19 . 1 1 69 69 GLY N N 69 103.773 103.773 106.880 -3.107 25436 11078 1 19 . 1 1 69 69 GLY C C 69 175.626 175.626 175.413 0.213 25436 11079 1 19 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.561 0.565 25436 11080 1 19 . 1 1 69 69 GLY H H 69 8.140 8.140 7.328 0.812 25436 11081 1 19 . 1 1 70 70 GLU N N 70 114.547 114.547 117.520 -2.973 25436 11082 1 19 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.398 0.238 25436 11083 1 19 . 1 1 70 70 GLU C C 70 176.391 176.391 175.275 1.116 25436 11084 1 19 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.789 -0.630 25436 11085 1 19 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.276 -0.011 25436 11086 1 19 . 1 1 70 70 GLU H H 70 7.654 7.654 7.662 -0.008 25436 11087 1 19 . 1 1 71 71 ASP N N 71 118.202 118.202 120.206 -2.004 25436 11088 1 19 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.311 -0.024 25436 11089 1 19 . 1 1 71 71 ASP C C 71 178.698 178.698 177.745 0.953 25436 11090 1 19 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.081 1.450 25436 11091 1 19 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.963 0.408 25436 11092 1 19 . 1 1 71 71 ASP H H 71 8.020 8.020 7.522 0.498 25436 11093 1 19 . 1 1 72 72 GLY N N 72 114.301 114.301 114.424 -0.123 25436 11094 1 19 . 1 1 72 72 GLY C C 72 173.791 173.791 173.588 0.203 25436 11095 1 19 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.237 0.522 25436 11096 1 19 . 1 1 72 72 GLY H H 72 8.305 8.305 8.426 -0.121 25436 11097 1 19 . 1 1 73 73 ARG N N 73 121.994 121.994 118.457 3.537 25436 11098 1 19 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.547 -0.352 25436 11099 1 19 . 1 1 73 73 ARG C C 73 175.187 175.187 175.067 0.120 25436 11100 1 19 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.712 1.790 25436 11101 1 19 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.876 -0.624 25436 11102 1 19 . 1 1 73 73 ARG H H 73 7.980 7.980 7.722 0.258 25436 11103 1 19 . 1 1 74 74 MET N N 74 125.081 125.081 122.119 2.962 25436 11104 1 19 . 1 1 74 74 MET HA H 74 4.823 4.823 5.091 -0.268 25436 11105 1 19 . 1 1 74 74 MET C C 74 175.726 175.726 175.142 0.584 25436 11106 1 19 . 1 1 74 74 MET CA C 74 55.029 55.029 55.369 -0.340 25436 11107 1 19 . 1 1 74 74 MET CB C 74 33.092 33.092 34.611 -1.519 25436 11108 1 19 . 1 1 74 74 MET H H 74 8.712 8.712 8.446 0.266 25436 11109 1 19 . 1 1 75 75 ILE N N 75 127.490 127.490 125.459 2.031 25436 11110 1 19 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.480 -0.098 25436 11111 1 19 . 1 1 75 75 ILE C C 75 175.276 175.276 175.411 -0.135 25436 11112 1 19 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.785 -0.980 25436 11113 1 19 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.224 -0.827 25436 11114 1 19 . 1 1 75 75 ILE H H 75 8.589 8.589 8.984 -0.395 25436 11115 1 19 . 1 1 76 76 ALA N N 76 132.147 132.147 129.767 2.380 25436 11116 1 19 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.060 -0.022 25436 11117 1 19 . 1 1 76 76 ALA C C 76 177.205 177.205 177.265 -0.060 25436 11118 1 19 . 1 1 76 76 ALA CA C 76 52.934 52.934 53.903 -0.969 25436 11119 1 19 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.441 -0.293 25436 11120 1 19 . 1 1 76 76 ALA H H 76 9.547 9.547 8.691 0.856 25436 11121 1 19 . 1 1 77 77 GLY N N 77 101.695 101.695 102.842 -1.147 25436 11122 1 19 . 1 1 77 77 GLY C C 77 174.205 174.205 174.519 -0.314 25436 11123 1 19 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.958 0.805 25436 11124 1 19 . 1 1 77 77 GLY H H 77 8.445 8.445 8.329 0.116 25436 11125 1 19 . 1 1 78 78 GLN N N 78 119.020 119.020 118.886 0.134 25436 11126 1 19 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.778 -0.049 25436 11127 1 19 . 1 1 78 78 GLN C C 78 174.046 174.046 174.251 -0.205 25436 11128 1 19 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.035 0.160 25436 11129 1 19 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.292 -0.403 25436 11130 1 19 . 1 1 78 78 GLN H H 78 7.720 7.720 7.855 -0.135 25436 11131 1 19 . 1 1 79 79 VAL N N 79 123.374 123.374 121.066 2.308 25436 11132 1 19 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.985 -0.973 25436 11133 1 19 . 1 1 79 79 VAL C C 79 176.347 176.347 175.615 0.732 25436 11134 1 19 . 1 1 79 79 VAL CA C 79 62.655 62.655 60.978 1.677 25436 11135 1 19 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.394 -1.310 25436 11136 1 19 . 1 1 79 79 VAL H H 79 8.532 8.532 8.362 0.170 25436 11137 1 19 . 1 1 80 80 LEU N N 80 128.569 128.569 122.364 6.205 25436 11138 1 19 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.900 -0.613 25436 11139 1 19 . 1 1 80 80 LEU C C 80 176.521 176.521 175.287 1.234 25436 11140 1 19 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.154 3.909 25436 11141 1 19 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.235 -0.414 25436 11142 1 19 . 1 1 80 80 LEU H H 80 9.014 9.014 8.148 0.866 25436 11143 1 19 . 1 1 81 81 ASP N N 81 124.359 124.359 122.349 2.010 25436 11144 1 19 . 1 1 81 81 ASP HA H 81 5.225 5.225 4.989 0.236 25436 11145 1 19 . 1 1 81 81 ASP C C 81 174.659 174.659 175.357 -0.698 25436 11146 1 19 . 1 1 81 81 ASP CA C 81 52.955 52.955 52.780 0.175 25436 11147 1 19 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.385 1.287 25436 11148 1 19 . 1 1 81 81 ASP H H 81 7.850 7.850 8.415 -0.565 25436 11149 1 19 . 1 1 82 82 ILE N N 82 123.155 123.155 126.424 -3.269 25436 11150 1 19 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.883 0.519 25436 11151 1 19 . 1 1 82 82 ILE C C 82 174.520 174.520 175.285 -0.765 25436 11152 1 19 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.252 -1.020 25436 11153 1 19 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.546 1.417 25436 11154 1 19 . 1 1 82 82 ILE H H 82 9.086 9.086 8.345 0.741 25436 11155 1 19 . 1 1 83 83 ASN N N 83 116.417 116.417 122.788 -6.371 25436 11156 1 19 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.986 -0.139 25436 11157 1 19 . 1 1 83 83 ASN C C 83 174.565 174.565 173.731 0.834 25436 11158 1 19 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.132 0.916 25436 11159 1 19 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.354 0.756 25436 11160 1 19 . 1 1 83 83 ASN H H 83 8.495 8.495 8.524 -0.029 25436 11161 1 19 . 1 1 84 84 LEU N N 84 123.786 123.786 121.529 2.257 25436 11162 1 19 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.603 0.119 25436 11163 1 19 . 1 1 84 84 LEU C C 84 180.968 180.968 178.527 2.441 25436 11164 1 19 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.536 -0.236 25436 11165 1 19 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.538 -2.221 25436 11166 1 19 . 1 1 84 84 LEU H H 84 9.427 9.427 8.780 0.647 25436 11167 1 19 . 1 1 85 85 ALA N N 85 127.571 127.571 126.124 1.447 25436 11168 1 19 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.408 -0.360 25436 11169 1 19 . 1 1 85 85 ALA C C 85 177.931 177.931 176.734 1.197 25436 11170 1 19 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.081 2.215 25436 11171 1 19 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.056 -1.103 25436 11172 1 19 . 1 1 85 85 ALA H H 85 9.295 9.295 8.462 0.833 25436 11173 1 19 . 1 1 86 86 ALA N N 86 115.985 115.985 118.431 -2.446 25436 11174 1 19 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.426 -0.015 25436 11175 1 19 . 1 1 86 86 ALA C C 86 176.152 176.152 176.720 -0.568 25436 11176 1 19 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.992 -0.220 25436 11177 1 19 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.247 0.078 25436 11178 1 19 . 1 1 86 86 ALA H H 86 8.657 8.657 8.136 0.521 25436 11179 1 19 . 1 1 87 87 GLU N N 87 118.975 118.975 119.664 -0.689 25436 11180 1 19 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.631 0.104 25436 11181 1 19 . 1 1 87 87 GLU C C 87 171.676 171.676 174.030 -2.354 25436 11182 1 19 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.358 -0.209 25436 11183 1 19 . 1 1 87 87 GLU CB C 87 29.916 29.916 30.056 -0.140 25436 11184 1 19 . 1 1 87 87 GLU H H 87 7.913 7.913 7.817 0.096 25436 11185 1 19 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.484 -0.137 25436 11186 1 19 . 1 1 88 88 PRO C C 88 177.303 177.303 176.754 0.549 25436 11187 1 19 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.322 -0.444 25436 11188 1 19 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.342 -0.440 25436 11189 1 19 . 1 1 89 89 LYS N N 89 121.335 121.335 119.933 1.402 25436 11190 1 19 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.573 -0.333 25436 11191 1 19 . 1 1 89 89 LYS C C 89 177.689 177.689 175.806 1.883 25436 11192 1 19 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.382 0.369 25436 11193 1 19 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.469 -0.033 25436 11194 1 19 . 1 1 89 89 LYS H H 89 8.020 8.020 8.474 -0.454 25436 11195 1 19 . 1 1 90 90 VAL N N 90 120.786 120.786 119.790 0.996 25436 11196 1 19 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.208 -0.286 25436 11197 1 19 . 1 1 90 90 VAL C C 90 176.169 176.169 175.633 0.536 25436 11198 1 19 . 1 1 90 90 VAL CA C 90 63.298 63.298 60.549 2.749 25436 11199 1 19 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.855 -1.588 25436 11200 1 19 . 1 1 90 90 VAL H H 90 8.232 8.232 7.560 0.672 25436 11201 1 19 . 1 1 91 91 ASN N N 91 119.214 119.214 121.772 -2.558 25436 11202 1 19 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.722 -0.063 25436 11203 1 19 . 1 1 91 91 ASN C C 91 175.172 175.172 175.142 0.030 25436 11204 1 19 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.514 -0.486 25436 11205 1 19 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.559 -0.390 25436 11206 1 19 . 1 1 91 91 ASN H H 91 8.453 8.453 8.804 -0.351 25436 11207 1 19 . 1 1 92 92 ARG N N 92 120.709 120.709 117.332 3.377 25436 11208 1 19 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.006 0.247 25436 11209 1 19 . 1 1 92 92 ARG C C 92 176.991 176.991 176.450 0.541 25436 11210 1 19 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.563 -0.063 25436 11211 1 19 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.762 1.845 25436 11212 1 19 . 1 1 92 92 ARG H H 92 7.925 7.925 8.340 -0.415 25436 11213 1 19 . 1 1 93 93 GLY N N 93 110.299 110.299 105.409 4.890 25436 11214 1 19 . 1 1 93 93 GLY C C 93 174.245 174.245 174.421 -0.176 25436 11215 1 19 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.847 0.569 25436 11216 1 19 . 1 1 93 93 GLY H H 93 8.593 8.593 8.598 -0.005 25436 11217 1 19 . 1 1 94 94 LYS N N 94 120.781 120.781 116.010 4.771 25436 11218 1 19 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.992 0.302 25436 11219 1 19 . 1 1 94 94 LYS C C 94 176.524 176.524 175.259 1.265 25436 11220 1 19 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.613 -1.506 25436 11221 1 19 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.719 1.421 25436 11222 1 19 . 1 1 94 94 LYS H H 94 8.126 8.126 8.199 -0.073 25436 11223 1 19 . 1 1 95 95 ALA N N 95 125.012 125.012 118.046 6.966 25436 11224 1 19 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.531 -0.232 25436 11225 1 19 . 1 1 95 95 ALA C C 95 178.324 178.324 177.594 0.730 25436 11226 1 19 . 1 1 95 95 ALA CA C 95 52.801 52.801 52.152 0.649 25436 11227 1 19 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.568 -1.390 25436 11228 1 19 . 1 1 95 95 ALA H H 95 8.435 8.435 7.624 0.811 25436 11229 1 19 . 1 1 96 96 GLY N N 96 108.312 108.312 107.372 0.940 25436 11230 1 19 . 1 1 96 96 GLY C C 96 174.095 174.095 174.824 -0.729 25436 11231 1 19 . 1 1 96 96 GLY CA C 96 45.282 45.282 46.162 -0.880 25436 11232 1 19 . 1 1 96 96 GLY H H 96 8.414 8.414 8.207 0.207 25436 11233 1 19 . 1 1 97 97 VAL N N 97 119.818 119.818 118.857 0.961 25436 11234 1 19 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.033 0.039 25436 11235 1 19 . 1 1 97 97 VAL C C 97 176.155 176.155 176.354 -0.199 25436 11236 1 19 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.729 -1.385 25436 11237 1 19 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.867 0.889 25436 11238 1 19 . 1 1 97 97 VAL H H 97 7.919 7.919 8.019 -0.100 25436 11239 1 19 . 1 1 98 98 LYS N N 98 125.912 125.912 120.252 5.660 25436 11240 1 19 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.245 0.088 25436 11241 1 19 . 1 1 98 98 LYS C C 98 176.426 176.426 176.928 -0.502 25436 11242 1 19 . 1 1 98 98 LYS CA C 98 56.169 56.169 56.134 0.035 25436 11243 1 19 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.467 0.582 25436 11244 1 19 . 1 1 98 98 LYS H H 98 8.466 8.466 7.771 0.695 25436 11245 1 19 . 1 1 99 99 ARG N N 99 123.544 123.544 122.073 1.471 25436 11246 1 19 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.510 -0.141 25436 11247 1 19 . 1 1 99 99 ARG C C 99 176.230 176.230 175.762 0.468 25436 11248 1 19 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.190 0.805 25436 11249 1 19 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.766 -0.602 25436 11250 1 19 . 1 1 99 99 ARG H H 99 8.468 8.468 8.482 -0.014 25436 11251 1 19 . 1 1 100 100 SER N N 100 117.781 117.781 116.260 1.521 25436 11252 1 19 . 1 1 100 100 SER HA H 100 4.452 4.452 4.722 -0.270 25436 11253 1 19 . 1 1 100 100 SER C C 100 174.555 174.555 175.707 -1.152 25436 11254 1 19 . 1 1 100 100 SER CA C 100 58.036 58.036 57.348 0.688 25436 11255 1 19 . 1 1 100 100 SER CB C 100 64.139 64.139 64.244 -0.105 25436 11256 1 19 . 1 1 100 100 SER H H 100 8.507 8.507 8.266 0.241 25436 11257 1 19 . 1 1 101 101 ALA N N 101 126.090 126.090 125.587 0.503 25436 11258 1 19 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.121 0.149 25436 11259 1 19 . 1 1 101 101 ALA C C 101 178.046 178.046 177.273 0.773 25436 11260 1 19 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.577 -1.307 25436 11261 1 19 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.413 0.619 25436 11262 1 19 . 1 1 101 101 ALA H H 101 8.529 8.529 9.134 -0.605 25436 11263 1 19 . 1 1 102 102 ALA N N 102 121.750 121.750 118.117 3.633 25436 11264 1 19 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.496 -0.269 25436 11265 1 19 . 1 1 102 102 ALA C C 102 178.253 178.253 177.948 0.305 25436 11266 1 19 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.243 0.752 25436 11267 1 19 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.586 -0.508 25436 11268 1 19 . 1 1 102 102 ALA H H 102 8.219 8.219 7.934 0.285 25436 11269 1 19 . 1 1 103 103 GLU N N 103 118.819 118.819 117.692 1.127 25436 11270 1 19 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.549 -0.347 25436 11271 1 19 . 1 1 103 103 GLU C C 103 176.515 176.515 176.985 -0.470 25436 11272 1 19 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.611 1.058 25436 11273 1 19 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.079 0.083 25436 11274 1 19 . 1 1 103 103 GLU H H 103 8.100 8.100 8.056 0.044 25436 11275 1 19 . 1 1 104 104 MET N N 104 120.178 120.178 117.873 2.305 25436 11276 1 19 . 1 1 104 104 MET HA H 104 4.332 4.332 4.072 0.260 25436 11277 1 19 . 1 1 104 104 MET C C 104 175.861 175.861 176.688 -0.827 25436 11278 1 19 . 1 1 104 104 MET CA C 104 55.869 55.869 57.429 -1.560 25436 11279 1 19 . 1 1 104 104 MET CB C 104 32.993 32.993 32.208 0.785 25436 11280 1 19 . 1 1 104 104 MET H H 104 8.086 8.086 7.807 0.279 25436 11281 1 19 . 1 1 105 105 TYR N N 105 120.369 120.369 116.410 3.959 25436 11282 1 19 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.643 0.009 25436 11283 1 19 . 1 1 105 105 TYR C C 105 175.318 175.318 176.749 -1.431 25436 11284 1 19 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.641 -0.056 25436 11285 1 19 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.888 0.003 25436 11286 1 19 . 1 1 105 105 TYR H H 105 8.137 8.137 7.626 0.511 25436 11287 1 20 . 1 1 3 3 SER HA H 3 4.564 4.564 4.553 0.011 25436 11288 1 20 . 1 1 3 3 SER C C 3 173.407 173.407 174.988 -1.581 25436 11289 1 20 . 1 1 3 3 SER CA C 3 58.309 58.309 56.886 1.423 25436 11290 1 20 . 1 1 3 3 SER CB C 3 63.980 63.980 64.108 -0.128 25436 11291 1 20 . 1 1 4 4 ASN N N 4 120.204 120.204 118.870 1.334 25436 11292 1 20 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.138 0.079 25436 11293 1 20 . 1 1 4 4 ASN C C 4 176.242 176.242 173.851 2.391 25436 11294 1 20 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.542 0.493 25436 11295 1 20 . 1 1 4 4 ASN CB C 4 38.715 38.715 39.099 -0.384 25436 11296 1 20 . 1 1 4 4 ASN H H 4 8.783 8.783 8.574 0.209 25436 11297 1 20 . 1 1 5 5 VAL N N 5 122.598 122.598 119.559 3.039 25436 11298 1 20 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.292 -0.522 25436 11299 1 20 . 1 1 5 5 VAL C C 5 177.222 177.222 174.524 2.698 25436 11300 1 20 . 1 1 5 5 VAL CA C 5 65.806 65.806 60.729 5.077 25436 11301 1 20 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.388 -3.533 25436 11302 1 20 . 1 1 5 5 VAL H H 5 8.326 8.326 7.448 0.878 25436 11303 1 20 . 1 1 6 6 THR N N 6 118.450 118.450 118.488 -0.038 25436 11304 1 20 . 1 1 6 6 THR HA H 6 4.682 4.682 4.627 0.055 25436 11305 1 20 . 1 1 6 6 THR C C 6 174.349 174.349 173.026 1.323 25436 11306 1 20 . 1 1 6 6 THR CA C 6 60.542 60.542 61.416 -0.874 25436 11307 1 20 . 1 1 6 6 THR CB C 6 69.771 69.771 69.059 0.712 25436 11308 1 20 . 1 1 6 6 THR H H 6 9.391 9.391 8.302 1.089 25436 11309 1 20 . 1 1 7 7 ASN N N 7 120.847 120.847 117.282 3.565 25436 11310 1 20 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.506 0.049 25436 11311 1 20 . 1 1 7 7 ASN C C 7 176.863 176.863 175.853 1.010 25436 11312 1 20 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.612 -0.703 25436 11313 1 20 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.868 0.191 25436 11314 1 20 . 1 1 7 7 ASN H H 7 7.970 7.970 7.897 0.073 25436 11315 1 20 . 1 1 8 8 LYS N N 8 121.736 121.736 122.055 -0.319 25436 11316 1 20 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.239 0.015 25436 11317 1 20 . 1 1 8 8 LYS C C 8 180.141 180.141 177.558 2.583 25436 11318 1 20 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.462 1.759 25436 11319 1 20 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.869 -0.579 25436 11320 1 20 . 1 1 8 8 LYS H H 8 8.577 8.577 8.132 0.445 25436 11321 1 20 . 1 1 9 9 THR N N 9 110.800 110.800 110.494 0.306 25436 11322 1 20 . 1 1 9 9 THR HA H 9 4.467 4.467 4.440 0.027 25436 11323 1 20 . 1 1 9 9 THR C C 9 174.484 174.484 173.846 0.638 25436 11324 1 20 . 1 1 9 9 THR CA C 9 61.242 61.242 61.001 0.241 25436 11325 1 20 . 1 1 9 9 THR CB C 9 69.009 69.009 69.556 -0.547 25436 11326 1 20 . 1 1 9 9 THR H H 9 8.695 8.695 8.229 0.466 25436 11327 1 20 . 1 1 10 10 ASP N N 10 120.937 120.937 124.085 -3.148 25436 11328 1 20 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.763 0.060 25436 11329 1 20 . 1 1 10 10 ASP C C 10 173.945 173.945 176.712 -2.767 25436 11330 1 20 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.308 -0.822 25436 11331 1 20 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.564 -2.014 25436 11332 1 20 . 1 1 10 10 ASP H H 10 7.908 7.908 7.988 -0.080 25436 11333 1 20 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.399 -0.249 25436 11334 1 20 . 1 1 11 11 PRO C C 11 178.420 178.420 176.455 1.965 25436 11335 1 20 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.709 1.504 25436 11336 1 20 . 1 1 11 11 PRO CB C 11 32.155 32.155 32.017 0.138 25436 11337 1 20 . 1 1 12 12 ARG N N 12 116.349 116.349 113.560 2.789 25436 11338 1 20 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.823 -0.728 25436 11339 1 20 . 1 1 12 12 ARG C C 12 180.445 180.445 176.231 4.214 25436 11340 1 20 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.366 3.205 25436 11341 1 20 . 1 1 12 12 ARG CB C 12 29.235 29.235 30.083 -0.848 25436 11342 1 20 . 1 1 12 12 ARG H H 12 7.944 7.944 8.049 -0.105 25436 11343 1 20 . 1 1 13 13 SER N N 13 119.401 119.401 115.275 4.126 25436 11344 1 20 . 1 1 13 13 SER HA H 13 4.053 4.053 4.786 -0.733 25436 11345 1 20 . 1 1 13 13 SER C C 13 175.325 175.325 175.390 -0.065 25436 11346 1 20 . 1 1 13 13 SER CA C 13 61.500 61.500 59.290 2.210 25436 11347 1 20 . 1 1 13 13 SER CB C 13 61.798 61.798 64.215 -2.417 25436 11348 1 20 . 1 1 13 13 SER H H 13 8.152 8.152 7.660 0.492 25436 11349 1 20 . 1 1 14 14 MET N N 14 120.254 120.254 117.590 2.664 25436 11350 1 20 . 1 1 14 14 MET HA H 14 4.090 4.090 4.342 -0.252 25436 11351 1 20 . 1 1 14 14 MET C C 14 178.575 178.575 175.271 3.304 25436 11352 1 20 . 1 1 14 14 MET CA C 14 58.317 58.317 57.331 0.986 25436 11353 1 20 . 1 1 14 14 MET CB C 14 31.466 31.466 33.263 -1.797 25436 11354 1 20 . 1 1 14 14 MET H H 14 8.241 8.241 7.908 0.333 25436 11355 1 20 . 1 1 15 15 ASN N N 15 115.299 115.299 109.776 5.523 25436 11356 1 20 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.839 -0.213 25436 11357 1 20 . 1 1 15 15 ASN C C 15 172.554 172.554 176.112 -3.558 25436 11358 1 20 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.035 1.026 25436 11359 1 20 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.237 -0.441 25436 11360 1 20 . 1 1 15 15 ASN H H 15 7.962 7.962 8.115 -0.153 25436 11361 1 20 . 1 1 16 16 SER N N 16 106.079 106.079 113.673 -7.594 25436 11362 1 20 . 1 1 16 16 SER HA H 16 4.500 4.500 4.719 -0.219 25436 11363 1 20 . 1 1 16 16 SER C C 16 172.120 172.120 173.856 -1.736 25436 11364 1 20 . 1 1 16 16 SER CA C 16 56.814 56.814 58.288 -1.474 25436 11365 1 20 . 1 1 16 16 SER CB C 16 63.439 63.439 63.743 -0.304 25436 11366 1 20 . 1 1 16 16 SER H H 16 7.249 7.249 7.839 -0.590 25436 11367 1 20 . 1 1 17 17 ARG N N 17 123.335 123.335 121.717 1.618 25436 11368 1 20 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.220 0.365 25436 11369 1 20 . 1 1 17 17 ARG C C 17 174.490 174.490 174.862 -0.372 25436 11370 1 20 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.958 -0.594 25436 11371 1 20 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.916 -1.058 25436 11372 1 20 . 1 1 17 17 ARG H H 17 7.400 7.400 7.654 -0.254 25436 11373 1 20 . 1 1 18 18 VAL N N 18 122.241 122.241 122.332 -0.091 25436 11374 1 20 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.675 0.042 25436 11375 1 20 . 1 1 18 18 VAL C C 18 174.862 174.862 174.313 0.549 25436 11376 1 20 . 1 1 18 18 VAL CA C 18 60.723 60.723 60.904 -0.181 25436 11377 1 20 . 1 1 18 18 VAL CB C 18 34.281 34.281 33.635 0.646 25436 11378 1 20 . 1 1 18 18 VAL H H 18 9.264 9.264 8.957 0.307 25436 11379 1 20 . 1 1 19 19 PHE N N 19 125.933 125.933 128.780 -2.847 25436 11380 1 20 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.393 0.073 25436 11381 1 20 . 1 1 19 19 PHE C C 19 171.966 171.966 173.661 -1.695 25436 11382 1 20 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.759 1.364 25436 11383 1 20 . 1 1 19 19 PHE CB C 19 40.945 40.945 42.087 -1.142 25436 11384 1 20 . 1 1 19 19 PHE H H 19 9.162 9.162 9.248 -0.086 25436 11385 1 20 . 1 1 20 20 ILE N N 20 126.425 126.425 125.789 0.636 25436 11386 1 20 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.074 -0.205 25436 11387 1 20 . 1 1 20 20 ILE C C 20 173.048 173.048 174.366 -1.318 25436 11388 1 20 . 1 1 20 20 ILE CA C 20 59.330 59.330 59.908 -0.578 25436 11389 1 20 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.256 0.779 25436 11390 1 20 . 1 1 20 20 ILE H H 20 7.723 7.723 7.503 0.220 25436 11391 1 20 . 1 1 21 21 GLY N N 21 113.255 113.255 110.888 2.367 25436 11392 1 20 . 1 1 21 21 GLY C C 21 173.768 173.768 174.586 -0.818 25436 11393 1 20 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.493 0.437 25436 11394 1 20 . 1 1 21 21 GLY H H 21 8.498 8.498 8.005 0.493 25436 11395 1 20 . 1 1 22 22 ASN N N 22 116.172 116.172 115.484 0.688 25436 11396 1 20 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.390 0.039 25436 11397 1 20 . 1 1 22 22 ASN C C 22 174.204 174.204 174.853 -0.649 25436 11398 1 20 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.006 -0.488 25436 11399 1 20 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.092 0.683 25436 11400 1 20 . 1 1 22 22 ASN H H 22 7.227 7.227 8.536 -1.309 25436 11401 1 20 . 1 1 23 23 LEU N N 23 119.429 119.429 119.898 -0.469 25436 11402 1 20 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.369 -0.426 25436 11403 1 20 . 1 1 23 23 LEU C C 23 176.550 176.550 176.965 -0.415 25436 11404 1 20 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.951 -2.374 25436 11405 1 20 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.241 1.127 25436 11406 1 20 . 1 1 23 23 LEU H H 23 7.110 7.110 7.873 -0.763 25436 11407 1 20 . 1 1 24 24 ASN N N 24 122.292 122.292 120.959 1.333 25436 11408 1 20 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.772 0.300 25436 11409 1 20 . 1 1 24 24 ASN C C 24 175.830 175.830 175.764 0.066 25436 11410 1 20 . 1 1 24 24 ASN CA C 24 51.501 51.501 52.701 -1.200 25436 11411 1 20 . 1 1 24 24 ASN CB C 24 35.591 35.591 36.894 -1.303 25436 11412 1 20 . 1 1 24 24 ASN H H 24 8.975 8.975 8.804 0.171 25436 11413 1 20 . 1 1 25 25 THR N N 25 118.371 118.371 113.078 5.293 25436 11414 1 20 . 1 1 25 25 THR HA H 25 4.411 4.411 4.089 0.322 25436 11415 1 20 . 1 1 25 25 THR C C 25 175.285 175.285 175.568 -0.283 25436 11416 1 20 . 1 1 25 25 THR CA C 25 63.453 63.453 64.186 -0.733 25436 11417 1 20 . 1 1 25 25 THR CB C 25 67.150 67.150 68.323 -1.173 25436 11418 1 20 . 1 1 25 25 THR H H 25 8.466 8.466 8.069 0.397 25436 11419 1 20 . 1 1 26 26 LEU N N 26 121.017 121.017 119.143 1.874 25436 11420 1 20 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.302 -0.095 25436 11421 1 20 . 1 1 26 26 LEU C C 26 178.243 178.243 177.243 1.000 25436 11422 1 20 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.305 0.434 25436 11423 1 20 . 1 1 26 26 LEU CB C 26 41.132 41.132 41.992 -0.860 25436 11424 1 20 . 1 1 26 26 LEU H H 26 7.583 7.583 7.974 -0.391 25436 11425 1 20 . 1 1 27 27 VAL N N 27 115.968 115.968 114.535 1.433 25436 11426 1 20 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.145 -0.120 25436 11427 1 20 . 1 1 27 27 VAL C C 27 175.199 175.199 176.266 -1.067 25436 11428 1 20 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.634 0.575 25436 11429 1 20 . 1 1 27 27 VAL CB C 27 35.182 35.182 34.381 0.801 25436 11430 1 20 . 1 1 27 27 VAL H H 27 6.846 6.846 7.786 -0.940 25436 11431 1 20 . 1 1 28 28 VAL N N 28 121.753 121.753 120.476 1.277 25436 11432 1 20 . 1 1 28 28 VAL HA H 28 3.867 3.867 3.939 -0.072 25436 11433 1 20 . 1 1 28 28 VAL C C 28 174.351 174.351 175.097 -0.746 25436 11434 1 20 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.753 0.427 25436 11435 1 20 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.062 -1.017 25436 11436 1 20 . 1 1 28 28 VAL H H 28 8.389 8.389 7.656 0.733 25436 11437 1 20 . 1 1 29 29 LYS N N 29 124.108 124.108 123.273 0.835 25436 11438 1 20 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.478 0.150 25436 11439 1 20 . 1 1 29 29 LYS C C 29 177.958 177.958 176.519 1.439 25436 11440 1 20 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.067 -0.407 25436 11441 1 20 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.289 0.167 25436 11442 1 20 . 1 1 29 29 LYS H H 29 8.929 8.929 7.988 0.941 25436 11443 1 20 . 1 1 30 30 LYS N N 30 123.352 123.352 122.121 1.231 25436 11444 1 20 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.939 -0.276 25436 11445 1 20 . 1 1 30 30 LYS C C 30 177.638 177.638 178.105 -0.467 25436 11446 1 20 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.583 1.817 25436 11447 1 20 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.176 0.480 25436 11448 1 20 . 1 1 30 30 LYS H H 30 8.994 8.994 8.717 0.277 25436 11449 1 20 . 1 1 31 31 SER N N 31 111.491 111.491 113.162 -1.671 25436 11450 1 20 . 1 1 31 31 SER HA H 31 4.175 4.175 4.352 -0.177 25436 11451 1 20 . 1 1 31 31 SER C C 31 177.616 177.616 174.972 2.644 25436 11452 1 20 . 1 1 31 31 SER CA C 31 61.402 61.402 59.950 1.452 25436 11453 1 20 . 1 1 31 31 SER CB C 31 61.541 61.541 62.948 -1.407 25436 11454 1 20 . 1 1 31 31 SER H H 31 8.686 8.686 8.342 0.344 25436 11455 1 20 . 1 1 32 32 ASP N N 32 122.114 122.114 122.163 -0.049 25436 11456 1 20 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.697 -0.173 25436 11457 1 20 . 1 1 32 32 ASP C C 32 178.193 178.193 178.322 -0.129 25436 11458 1 20 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.775 0.420 25436 11459 1 20 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.342 0.471 25436 11460 1 20 . 1 1 32 32 ASP H H 32 7.147 7.147 7.755 -0.608 25436 11461 1 20 . 1 1 33 33 VAL N N 33 120.064 120.064 120.620 -0.556 25436 11462 1 20 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.827 -0.359 25436 11463 1 20 . 1 1 33 33 VAL C C 33 178.623 178.623 176.981 1.642 25436 11464 1 20 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.344 0.993 25436 11465 1 20 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.873 -0.577 25436 11466 1 20 . 1 1 33 33 VAL H H 33 7.939 7.939 7.690 0.249 25436 11467 1 20 . 1 1 34 34 GLU N N 34 118.713 118.713 116.214 2.499 25436 11468 1 20 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.144 -0.385 25436 11469 1 20 . 1 1 34 34 GLU C C 34 178.700 178.700 176.287 2.413 25436 11470 1 20 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.625 2.878 25436 11471 1 20 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.244 0.086 25436 11472 1 20 . 1 1 34 34 GLU H H 34 8.641 8.641 7.795 0.846 25436 11473 1 20 . 1 1 35 35 ALA N N 35 121.519 121.519 120.135 1.384 25436 11474 1 20 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.538 -0.388 25436 11475 1 20 . 1 1 35 35 ALA C C 35 180.482 180.482 178.246 2.236 25436 11476 1 20 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.783 2.759 25436 11477 1 20 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.285 -2.228 25436 11478 1 20 . 1 1 35 35 ALA H H 35 7.818 7.818 7.588 0.230 25436 11479 1 20 . 1 1 36 36 ILE N N 36 117.410 117.410 117.916 -0.506 25436 11480 1 20 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.154 -0.486 25436 11481 1 20 . 1 1 36 36 ILE C C 36 178.664 178.664 176.181 2.483 25436 11482 1 20 . 1 1 36 36 ILE CA C 36 64.790 64.790 62.613 2.177 25436 11483 1 20 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.373 0.412 25436 11484 1 20 . 1 1 36 36 ILE H H 36 7.778 7.778 7.588 0.190 25436 11485 1 20 . 1 1 37 37 PHE N N 37 113.502 113.502 116.889 -3.387 25436 11486 1 20 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.848 -0.485 25436 11487 1 20 . 1 1 37 37 PHE C C 37 179.622 179.622 177.388 2.234 25436 11488 1 20 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.468 4.235 25436 11489 1 20 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.675 -3.491 25436 11490 1 20 . 1 1 37 37 PHE H H 37 8.587 8.587 7.783 0.804 25436 11491 1 20 . 1 1 38 38 SER N N 38 122.010 122.010 115.636 6.374 25436 11492 1 20 . 1 1 38 38 SER HA H 38 4.819 4.819 4.711 0.108 25436 11493 1 20 . 1 1 38 38 SER C C 38 175.438 175.438 175.504 -0.066 25436 11494 1 20 . 1 1 38 38 SER CA C 38 61.462 61.462 59.594 1.868 25436 11495 1 20 . 1 1 38 38 SER CB C 38 62.737 62.737 62.890 -0.153 25436 11496 1 20 . 1 1 38 38 SER H H 38 8.827 8.827 8.629 0.198 25436 11497 1 20 . 1 1 39 39 LYS N N 39 119.345 119.345 117.697 1.648 25436 11498 1 20 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.131 -0.164 25436 11499 1 20 . 1 1 39 39 LYS C C 39 177.063 177.063 176.377 0.686 25436 11500 1 20 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.717 0.542 25436 11501 1 20 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.835 -0.273 25436 11502 1 20 . 1 1 39 39 LYS H H 39 7.057 7.057 8.099 -1.042 25436 11503 1 20 . 1 1 40 40 TYR N N 40 114.420 114.420 118.569 -4.149 25436 11504 1 20 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.622 -0.341 25436 11505 1 20 . 1 1 40 40 TYR C C 40 174.841 174.841 174.256 0.585 25436 11506 1 20 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.497 1.359 25436 11507 1 20 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.746 -2.385 25436 11508 1 20 . 1 1 40 40 TYR H H 40 6.956 6.956 7.601 -0.645 25436 11509 1 20 . 1 1 41 41 GLY N N 41 106.506 106.506 105.418 1.088 25436 11510 1 20 . 1 1 41 41 GLY C C 41 170.572 170.572 172.036 -1.464 25436 11511 1 20 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.454 -0.883 25436 11512 1 20 . 1 1 41 41 GLY H H 41 7.430 7.430 7.449 -0.019 25436 11513 1 20 . 1 1 42 42 LYS N N 42 117.771 117.771 121.214 -3.443 25436 11514 1 20 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.594 -0.393 25436 11515 1 20 . 1 1 42 42 LYS C C 42 176.535 176.535 176.262 0.273 25436 11516 1 20 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.577 2.555 25436 11517 1 20 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.675 0.281 25436 11518 1 20 . 1 1 42 42 LYS H H 42 8.037 8.037 8.278 -0.241 25436 11519 1 20 . 1 1 43 43 ILE N N 43 127.134 127.134 127.237 -0.103 25436 11520 1 20 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.360 -0.334 25436 11521 1 20 . 1 1 43 43 ILE C C 43 176.992 176.992 176.069 0.923 25436 11522 1 20 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.971 -0.575 25436 11523 1 20 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.542 0.325 25436 11524 1 20 . 1 1 43 43 ILE H H 43 8.720 8.720 8.553 0.167 25436 11525 1 20 . 1 1 44 44 VAL N N 44 121.988 121.988 120.088 1.900 25436 11526 1 20 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.569 -0.201 25436 11527 1 20 . 1 1 44 44 VAL C C 44 176.854 176.854 175.315 1.539 25436 11528 1 20 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.757 1.128 25436 11529 1 20 . 1 1 44 44 VAL CB C 44 32.472 32.472 33.098 -0.626 25436 11530 1 20 . 1 1 44 44 VAL H H 44 8.707 8.707 9.014 -0.307 25436 11531 1 20 . 1 1 45 45 GLY N N 45 109.497 109.497 108.046 1.451 25436 11532 1 20 . 1 1 45 45 GLY C C 45 171.265 171.265 171.718 -0.453 25436 11533 1 20 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.591 -0.574 25436 11534 1 20 . 1 1 45 45 GLY H H 45 7.541 7.541 7.660 -0.119 25436 11535 1 20 . 1 1 46 46 CYS N N 46 124.565 124.565 121.067 3.498 25436 11536 1 20 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.346 -0.335 25436 11537 1 20 . 1 1 46 46 CYS C C 46 172.072 172.072 172.255 -0.183 25436 11538 1 20 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.670 0.314 25436 11539 1 20 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.475 -3.146 25436 11540 1 20 . 1 1 46 46 CYS H H 46 8.983 8.983 8.719 0.264 25436 11541 1 20 . 1 1 47 47 SER N N 47 122.911 122.911 118.770 4.141 25436 11542 1 20 . 1 1 47 47 SER HA H 47 4.906 4.906 4.772 0.134 25436 11543 1 20 . 1 1 47 47 SER C C 47 171.848 171.848 172.139 -0.291 25436 11544 1 20 . 1 1 47 47 SER CA C 47 56.487 56.487 57.710 -1.223 25436 11545 1 20 . 1 1 47 47 SER CB C 47 65.679 65.679 65.659 0.020 25436 11546 1 20 . 1 1 47 47 SER H H 47 8.568 8.568 8.976 -0.408 25436 11547 1 20 . 1 1 48 48 VAL N N 48 121.488 121.488 123.701 -2.213 25436 11548 1 20 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.193 -0.051 25436 11549 1 20 . 1 1 48 48 VAL C C 48 173.990 173.990 173.447 0.543 25436 11550 1 20 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.487 1.760 25436 11551 1 20 . 1 1 48 48 VAL CB C 48 33.867 33.867 35.365 -1.498 25436 11552 1 20 . 1 1 48 48 VAL H H 48 8.588 8.588 8.157 0.431 25436 11553 1 20 . 1 1 49 49 HIS N N 49 130.227 130.227 124.871 5.356 25436 11554 1 20 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.739 -0.330 25436 11555 1 20 . 1 1 49 49 HIS C C 49 173.949 173.949 173.655 0.294 25436 11556 1 20 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.105 0.561 25436 11557 1 20 . 1 1 49 49 HIS CB C 49 31.118 31.118 31.751 -0.633 25436 11558 1 20 . 1 1 49 49 HIS H H 49 8.380 8.380 8.384 -0.004 25436 11559 1 20 . 1 1 50 50 LYS N N 50 121.171 121.171 119.623 1.548 25436 11560 1 20 . 1 1 50 50 LYS HA H 50 4.434 4.434 4.004 0.430 25436 11561 1 20 . 1 1 50 50 LYS C C 50 175.527 175.527 178.034 -2.507 25436 11562 1 20 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.726 -0.808 25436 11563 1 20 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.843 -2.422 25436 11564 1 20 . 1 1 50 50 LYS H H 50 7.717 7.717 8.258 -0.541 25436 11565 1 20 . 1 1 51 51 GLY N N 51 113.993 113.993 113.140 0.853 25436 11566 1 20 . 1 1 51 51 GLY C C 51 174.252 174.252 173.571 0.681 25436 11567 1 20 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.769 -1.362 25436 11568 1 20 . 1 1 51 51 GLY H H 51 9.404 9.404 8.911 0.493 25436 11569 1 20 . 1 1 52 52 PHE N N 52 112.326 112.326 116.890 -4.564 25436 11570 1 20 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.551 -0.259 25436 11571 1 20 . 1 1 52 52 PHE C C 52 171.605 171.605 172.951 -1.346 25436 11572 1 20 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.489 0.765 25436 11573 1 20 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.750 -0.709 25436 11574 1 20 . 1 1 52 52 PHE H H 52 7.006 7.006 7.375 -0.369 25436 11575 1 20 . 1 1 53 53 ALA N N 53 119.722 119.722 119.880 -0.158 25436 11576 1 20 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.741 0.067 25436 11577 1 20 . 1 1 53 53 ALA C C 53 173.029 173.029 174.514 -1.485 25436 11578 1 20 . 1 1 53 53 ALA CA C 53 50.296 50.296 50.887 -0.591 25436 11579 1 20 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.392 2.407 25436 11580 1 20 . 1 1 53 53 ALA H H 53 8.677 8.677 7.926 0.751 25436 11581 1 20 . 1 1 54 54 PHE N N 54 112.104 112.104 116.334 -4.230 25436 11582 1 20 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.592 -0.012 25436 11583 1 20 . 1 1 54 54 PHE C C 54 175.794 175.794 174.108 1.686 25436 11584 1 20 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.976 -0.262 25436 11585 1 20 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.506 -0.220 25436 11586 1 20 . 1 1 54 54 PHE H H 54 8.797 8.797 8.955 -0.158 25436 11587 1 20 . 1 1 55 55 VAL N N 55 118.542 118.542 121.064 -2.522 25436 11588 1 20 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.442 -0.229 25436 11589 1 20 . 1 1 55 55 VAL C C 55 172.806 172.806 173.767 -0.961 25436 11590 1 20 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.124 0.804 25436 11591 1 20 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.751 -0.831 25436 11592 1 20 . 1 1 55 55 VAL H H 55 8.295 8.295 8.717 -0.422 25436 11593 1 20 . 1 1 56 56 GLN N N 56 128.473 128.473 125.143 3.330 25436 11594 1 20 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.774 -0.204 25436 11595 1 20 . 1 1 56 56 GLN C C 56 173.893 173.893 174.394 -0.501 25436 11596 1 20 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.944 0.320 25436 11597 1 20 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.670 1.400 25436 11598 1 20 . 1 1 56 56 GLN H H 56 9.263 9.263 8.913 0.350 25436 11599 1 20 . 1 1 57 57 TYR N N 57 127.679 127.679 125.420 2.259 25436 11600 1 20 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.236 0.051 25436 11601 1 20 . 1 1 57 57 TYR C C 57 175.609 175.609 177.025 -1.416 25436 11602 1 20 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.456 1.212 25436 11603 1 20 . 1 1 57 57 TYR CB C 57 40.034 40.034 39.992 0.042 25436 11604 1 20 . 1 1 57 57 TYR H H 57 8.928 8.928 8.838 0.090 25436 11605 1 20 . 1 1 58 58 VAL N N 58 116.710 116.710 117.776 -1.066 25436 11606 1 20 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.884 0.231 25436 11607 1 20 . 1 1 58 58 VAL C C 58 175.859 175.859 174.775 1.084 25436 11608 1 20 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.519 -0.461 25436 11609 1 20 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.175 0.838 25436 11610 1 20 . 1 1 58 58 VAL H H 58 9.479 9.479 8.713 0.766 25436 11611 1 20 . 1 1 59 59 ASN N N 59 112.455 112.455 112.907 -0.452 25436 11612 1 20 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.800 0.359 25436 11613 1 20 . 1 1 59 59 ASN C C 59 174.482 174.482 175.260 -0.778 25436 11614 1 20 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.968 -0.026 25436 11615 1 20 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.170 2.022 25436 11616 1 20 . 1 1 59 59 ASN H H 59 7.218 7.218 7.512 -0.294 25436 11617 1 20 . 1 1 60 60 GLU N N 60 124.337 124.337 121.355 2.982 25436 11618 1 20 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.245 0.074 25436 11619 1 20 . 1 1 60 60 GLU C C 60 178.201 178.201 178.157 0.044 25436 11620 1 20 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.674 -0.934 25436 11621 1 20 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.970 0.387 25436 11622 1 20 . 1 1 60 60 GLU H H 60 8.808 8.808 8.994 -0.186 25436 11623 1 20 . 1 1 61 61 ARG N N 61 118.265 118.265 119.734 -1.469 25436 11624 1 20 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.023 -0.026 25436 11625 1 20 . 1 1 61 61 ARG C C 61 179.340 179.340 178.622 0.718 25436 11626 1 20 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.654 0.825 25436 11627 1 20 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.293 0.061 25436 11628 1 20 . 1 1 61 61 ARG H H 61 8.630 8.630 7.920 0.710 25436 11629 1 20 . 1 1 62 62 ASN N N 62 118.081 118.081 117.854 0.227 25436 11630 1 20 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.275 0.005 25436 11631 1 20 . 1 1 62 62 ASN C C 62 174.851 174.851 176.786 -1.935 25436 11632 1 20 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.283 0.168 25436 11633 1 20 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.312 0.706 25436 11634 1 20 . 1 1 62 62 ASN H H 62 7.785 7.785 8.955 -1.170 25436 11635 1 20 . 1 1 63 63 ALA N N 63 119.543 119.543 123.220 -3.677 25436 11636 1 20 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.458 -0.702 25436 11637 1 20 . 1 1 63 63 ALA C C 63 178.861 178.861 179.527 -0.666 25436 11638 1 20 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.129 -0.168 25436 11639 1 20 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.764 -0.224 25436 11640 1 20 . 1 1 63 63 ALA H H 63 6.779 6.779 7.410 -0.631 25436 11641 1 20 . 1 1 64 64 ARG N N 64 114.965 114.965 117.387 -2.422 25436 11642 1 20 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.065 -0.223 25436 11643 1 20 . 1 1 64 64 ARG C C 64 179.775 179.775 178.540 1.235 25436 11644 1 20 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.638 2.552 25436 11645 1 20 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.490 -0.177 25436 11646 1 20 . 1 1 64 64 ARG H H 64 8.755 8.755 8.438 0.317 25436 11647 1 20 . 1 1 65 65 ALA N N 65 123.704 123.704 121.663 2.041 25436 11648 1 20 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.042 0.088 25436 11649 1 20 . 1 1 65 65 ALA C C 65 179.560 179.560 178.384 1.176 25436 11650 1 20 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.746 0.233 25436 11651 1 20 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.185 -0.293 25436 11652 1 20 . 1 1 65 65 ALA H H 65 7.823 7.823 7.517 0.306 25436 11653 1 20 . 1 1 66 66 ALA N N 66 123.797 123.797 118.667 5.130 25436 11654 1 20 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.725 -1.649 25436 11655 1 20 . 1 1 66 66 ALA C C 66 179.259 179.259 179.260 -0.001 25436 11656 1 20 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.163 0.125 25436 11657 1 20 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.306 -0.031 25436 11658 1 20 . 1 1 66 66 ALA H H 66 7.545 7.545 7.444 0.101 25436 11659 1 20 . 1 1 67 67 VAL N N 67 116.549 116.549 117.209 -0.660 25436 11660 1 20 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.878 -0.524 25436 11661 1 20 . 1 1 67 67 VAL C C 67 177.744 177.744 176.656 1.088 25436 11662 1 20 . 1 1 67 67 VAL CA C 67 66.533 66.533 65.650 0.883 25436 11663 1 20 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.268 0.701 25436 11664 1 20 . 1 1 67 67 VAL H H 67 7.619 7.619 8.506 -0.887 25436 11665 1 20 . 1 1 68 68 ALA N N 68 118.193 118.193 119.749 -1.556 25436 11666 1 20 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.444 -0.317 25436 11667 1 20 . 1 1 68 68 ALA C C 68 180.748 180.748 178.008 2.740 25436 11668 1 20 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.737 1.624 25436 11669 1 20 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.362 -1.234 25436 11670 1 20 . 1 1 68 68 ALA H H 68 7.550 7.550 7.489 0.061 25436 11671 1 20 . 1 1 69 69 GLY N N 69 103.773 103.773 106.034 -2.261 25436 11672 1 20 . 1 1 69 69 GLY C C 69 175.626 175.626 175.301 0.325 25436 11673 1 20 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.404 0.722 25436 11674 1 20 . 1 1 69 69 GLY H H 69 8.140 8.140 7.489 0.651 25436 11675 1 20 . 1 1 70 70 GLU N N 70 114.547 114.547 117.976 -3.429 25436 11676 1 20 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.480 0.156 25436 11677 1 20 . 1 1 70 70 GLU C C 70 176.391 176.391 175.062 1.329 25436 11678 1 20 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.784 -0.625 25436 11679 1 20 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.652 -0.387 25436 11680 1 20 . 1 1 70 70 GLU H H 70 7.654 7.654 7.963 -0.309 25436 11681 1 20 . 1 1 71 71 ASP N N 71 118.202 118.202 120.597 -2.395 25436 11682 1 20 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.343 -0.056 25436 11683 1 20 . 1 1 71 71 ASP C C 71 178.698 178.698 177.838 0.860 25436 11684 1 20 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.190 1.341 25436 11685 1 20 . 1 1 71 71 ASP CB C 71 41.371 41.371 41.042 0.329 25436 11686 1 20 . 1 1 71 71 ASP H H 71 8.020 8.020 7.572 0.448 25436 11687 1 20 . 1 1 72 72 GLY N N 72 114.301 114.301 114.340 -0.039 25436 11688 1 20 . 1 1 72 72 GLY C C 72 173.791 173.791 173.610 0.181 25436 11689 1 20 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.253 0.506 25436 11690 1 20 . 1 1 72 72 GLY H H 72 8.305 8.305 8.451 -0.146 25436 11691 1 20 . 1 1 73 73 ARG N N 73 121.994 121.994 118.415 3.579 25436 11692 1 20 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.561 -0.366 25436 11693 1 20 . 1 1 73 73 ARG C C 73 175.187 175.187 175.031 0.156 25436 11694 1 20 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.721 1.781 25436 11695 1 20 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.900 -0.648 25436 11696 1 20 . 1 1 73 73 ARG H H 73 7.980 7.980 7.703 0.277 25436 11697 1 20 . 1 1 74 74 MET N N 74 125.081 125.081 121.967 3.114 25436 11698 1 20 . 1 1 74 74 MET HA H 74 4.823 4.823 5.076 -0.253 25436 11699 1 20 . 1 1 74 74 MET C C 74 175.726 175.726 175.086 0.640 25436 11700 1 20 . 1 1 74 74 MET CA C 74 55.029 55.029 55.198 -0.169 25436 11701 1 20 . 1 1 74 74 MET CB C 74 33.092 33.092 34.761 -1.669 25436 11702 1 20 . 1 1 74 74 MET H H 74 8.712 8.712 8.450 0.262 25436 11703 1 20 . 1 1 75 75 ILE N N 75 127.490 127.490 125.431 2.059 25436 11704 1 20 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.486 -0.104 25436 11705 1 20 . 1 1 75 75 ILE C C 75 175.276 175.276 175.449 -0.173 25436 11706 1 20 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.803 -0.999 25436 11707 1 20 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.213 -0.817 25436 11708 1 20 . 1 1 75 75 ILE H H 75 8.589 8.589 8.953 -0.364 25436 11709 1 20 . 1 1 76 76 ALA N N 76 132.147 132.147 129.774 2.373 25436 11710 1 20 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.034 0.004 25436 11711 1 20 . 1 1 76 76 ALA C C 76 177.205 177.205 177.355 -0.150 25436 11712 1 20 . 1 1 76 76 ALA CA C 76 52.934 52.934 53.666 -0.732 25436 11713 1 20 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.456 -0.308 25436 11714 1 20 . 1 1 76 76 ALA H H 76 9.547 9.547 8.961 0.586 25436 11715 1 20 . 1 1 77 77 GLY N N 77 101.695 101.695 101.815 -0.120 25436 11716 1 20 . 1 1 77 77 GLY C C 77 174.205 174.205 174.099 0.106 25436 11717 1 20 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.928 0.835 25436 11718 1 20 . 1 1 77 77 GLY H H 77 8.445 8.445 8.281 0.164 25436 11719 1 20 . 1 1 78 78 GLN N N 78 119.020 119.020 118.898 0.122 25436 11720 1 20 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.742 -0.013 25436 11721 1 20 . 1 1 78 78 GLN C C 78 174.046 174.046 174.316 -0.270 25436 11722 1 20 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.170 0.025 25436 11723 1 20 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.484 -0.595 25436 11724 1 20 . 1 1 78 78 GLN H H 78 7.720 7.720 7.964 -0.244 25436 11725 1 20 . 1 1 79 79 VAL N N 79 123.374 123.374 122.063 1.311 25436 11726 1 20 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.939 -0.927 25436 11727 1 20 . 1 1 79 79 VAL C C 79 176.347 176.347 175.667 0.680 25436 11728 1 20 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.448 1.207 25436 11729 1 20 . 1 1 79 79 VAL CB C 79 32.084 32.084 32.980 -0.895 25436 11730 1 20 . 1 1 79 79 VAL H H 79 8.532 8.532 8.414 0.118 25436 11731 1 20 . 1 1 80 80 LEU N N 80 128.569 128.569 123.323 5.246 25436 11732 1 20 . 1 1 80 80 LEU HA H 80 4.287 4.287 5.023 -0.736 25436 11733 1 20 . 1 1 80 80 LEU C C 80 176.521 176.521 175.385 1.136 25436 11734 1 20 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.194 3.869 25436 11735 1 20 . 1 1 80 80 LEU CB C 80 42.821 42.821 42.861 -0.040 25436 11736 1 20 . 1 1 80 80 LEU H H 80 9.014 9.014 8.172 0.842 25436 11737 1 20 . 1 1 81 81 ASP N N 81 124.359 124.359 122.618 1.741 25436 11738 1 20 . 1 1 81 81 ASP HA H 81 5.225 5.225 4.984 0.241 25436 11739 1 20 . 1 1 81 81 ASP C C 81 174.659 174.659 175.479 -0.820 25436 11740 1 20 . 1 1 81 81 ASP CA C 81 52.955 52.955 53.737 -0.782 25436 11741 1 20 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.658 1.014 25436 11742 1 20 . 1 1 81 81 ASP H H 81 7.850 7.850 8.476 -0.626 25436 11743 1 20 . 1 1 82 82 ILE N N 82 123.155 123.155 126.179 -3.024 25436 11744 1 20 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.929 0.473 25436 11745 1 20 . 1 1 82 82 ILE C C 82 174.520 174.520 175.328 -0.808 25436 11746 1 20 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.378 -1.146 25436 11747 1 20 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.341 1.622 25436 11748 1 20 . 1 1 82 82 ILE H H 82 9.086 9.086 8.344 0.742 25436 11749 1 20 . 1 1 83 83 ASN N N 83 116.417 116.417 123.018 -6.601 25436 11750 1 20 . 1 1 83 83 ASN HA H 83 4.847 4.847 5.010 -0.163 25436 11751 1 20 . 1 1 83 83 ASN C C 83 174.565 174.565 173.704 0.861 25436 11752 1 20 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.228 0.820 25436 11753 1 20 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.291 0.819 25436 11754 1 20 . 1 1 83 83 ASN H H 83 8.495 8.495 8.522 -0.027 25436 11755 1 20 . 1 1 84 84 LEU N N 84 123.786 123.786 121.723 2.063 25436 11756 1 20 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.459 0.263 25436 11757 1 20 . 1 1 84 84 LEU C C 84 180.968 180.968 178.519 2.449 25436 11758 1 20 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.646 -0.346 25436 11759 1 20 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.603 -2.287 25436 11760 1 20 . 1 1 84 84 LEU H H 84 9.427 9.427 8.802 0.625 25436 11761 1 20 . 1 1 85 85 ALA N N 85 127.571 127.571 127.046 0.525 25436 11762 1 20 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.416 -0.368 25436 11763 1 20 . 1 1 85 85 ALA C C 85 177.931 177.931 176.848 1.083 25436 11764 1 20 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.221 2.075 25436 11765 1 20 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.108 -1.155 25436 11766 1 20 . 1 1 85 85 ALA H H 85 9.295 9.295 8.375 0.920 25436 11767 1 20 . 1 1 86 86 ALA N N 86 115.985 115.985 118.385 -2.400 25436 11768 1 20 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.425 -0.014 25436 11769 1 20 . 1 1 86 86 ALA C C 86 176.152 176.152 176.762 -0.610 25436 11770 1 20 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.995 -0.223 25436 11771 1 20 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.289 0.036 25436 11772 1 20 . 1 1 86 86 ALA H H 86 8.657 8.657 8.169 0.488 25436 11773 1 20 . 1 1 87 87 GLU N N 87 118.975 118.975 119.304 -0.329 25436 11774 1 20 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.602 0.133 25436 11775 1 20 . 1 1 87 87 GLU C C 87 171.676 171.676 173.931 -2.255 25436 11776 1 20 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.183 -0.035 25436 11777 1 20 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.744 0.172 25436 11778 1 20 . 1 1 87 87 GLU H H 87 7.913 7.913 7.815 0.098 25436 11779 1 20 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.457 -0.110 25436 11780 1 20 . 1 1 88 88 PRO C C 88 177.303 177.303 176.492 0.811 25436 11781 1 20 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.072 -0.194 25436 11782 1 20 . 1 1 88 88 PRO CB C 88 31.902 31.902 30.759 1.143 25436 11783 1 20 . 1 1 89 89 LYS N N 89 121.335 121.335 122.244 -0.909 25436 11784 1 20 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.233 0.007 25436 11785 1 20 . 1 1 89 89 LYS C C 89 177.689 177.689 176.628 1.061 25436 11786 1 20 . 1 1 89 89 LYS CA C 89 56.751 56.751 57.009 -0.258 25436 11787 1 20 . 1 1 89 89 LYS CB C 89 33.436 33.436 32.480 0.957 25436 11788 1 20 . 1 1 89 89 LYS H H 89 8.020 8.020 8.254 -0.234 25436 11789 1 20 . 1 1 90 90 VAL N N 90 120.786 120.786 120.837 -0.051 25436 11790 1 20 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.210 -0.288 25436 11791 1 20 . 1 1 90 90 VAL C C 90 176.169 176.169 176.531 -0.362 25436 11792 1 20 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.146 2.152 25436 11793 1 20 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.524 -1.257 25436 11794 1 20 . 1 1 90 90 VAL H H 90 8.232 8.232 7.473 0.759 25436 11795 1 20 . 1 1 91 91 ASN N N 91 119.214 119.214 123.333 -4.119 25436 11796 1 20 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.617 0.042 25436 11797 1 20 . 1 1 91 91 ASN C C 91 175.172 175.172 175.091 0.081 25436 11798 1 20 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.836 -0.808 25436 11799 1 20 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.528 -0.359 25436 11800 1 20 . 1 1 91 91 ASN H H 91 8.453 8.453 8.687 -0.234 25436 11801 1 20 . 1 1 92 92 ARG N N 92 120.709 120.709 118.510 2.199 25436 11802 1 20 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.054 0.200 25436 11803 1 20 . 1 1 92 92 ARG C C 92 176.991 176.991 177.181 -0.190 25436 11804 1 20 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.515 -0.015 25436 11805 1 20 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.482 2.126 25436 11806 1 20 . 1 1 92 92 ARG H H 92 7.925 7.925 8.137 -0.212 25436 11807 1 20 . 1 1 93 93 GLY N N 93 110.299 110.299 107.502 2.797 25436 11808 1 20 . 1 1 93 93 GLY C C 93 174.245 174.245 174.216 0.029 25436 11809 1 20 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.894 0.522 25436 11810 1 20 . 1 1 93 93 GLY H H 93 8.593 8.593 8.637 -0.044 25436 11811 1 20 . 1 1 94 94 LYS N N 94 120.781 120.781 117.058 3.723 25436 11812 1 20 . 1 1 94 94 LYS HA H 94 4.294 4.294 4.094 0.200 25436 11813 1 20 . 1 1 94 94 LYS C C 94 176.524 176.524 175.043 1.481 25436 11814 1 20 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.311 -1.204 25436 11815 1 20 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.491 1.649 25436 11816 1 20 . 1 1 94 94 LYS H H 94 8.126 8.126 8.060 0.066 25436 11817 1 20 . 1 1 95 95 ALA N N 95 125.012 125.012 119.762 5.250 25436 11818 1 20 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.645 -0.346 25436 11819 1 20 . 1 1 95 95 ALA C C 95 178.324 178.324 176.213 2.111 25436 11820 1 20 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.828 0.973 25436 11821 1 20 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.176 -0.998 25436 11822 1 20 . 1 1 95 95 ALA H H 95 8.435 8.435 7.467 0.968 25436 11823 1 20 . 1 1 96 96 GLY N N 96 108.312 108.312 106.187 2.125 25436 11824 1 20 . 1 1 96 96 GLY C C 96 174.095 174.095 175.087 -0.992 25436 11825 1 20 . 1 1 96 96 GLY CA C 96 45.282 45.282 44.898 0.384 25436 11826 1 20 . 1 1 96 96 GLY H H 96 8.414 8.414 8.487 -0.073 25436 11827 1 20 . 1 1 97 97 VAL N N 97 119.818 119.818 119.007 0.811 25436 11828 1 20 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.190 -0.118 25436 11829 1 20 . 1 1 97 97 VAL C C 97 176.155 176.155 176.019 0.136 25436 11830 1 20 . 1 1 97 97 VAL CA C 97 62.344 62.344 62.627 -0.283 25436 11831 1 20 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.783 0.974 25436 11832 1 20 . 1 1 97 97 VAL H H 97 7.919 7.919 8.017 -0.098 25436 11833 1 20 . 1 1 98 98 LYS N N 98 125.912 125.912 120.730 5.182 25436 11834 1 20 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.522 -0.189 25436 11835 1 20 . 1 1 98 98 LYS C C 98 176.426 176.426 176.654 -0.228 25436 11836 1 20 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.704 0.465 25436 11837 1 20 . 1 1 98 98 LYS CB C 98 33.048 33.048 32.855 0.194 25436 11838 1 20 . 1 1 98 98 LYS H H 98 8.466 8.466 7.858 0.608 25436 11839 1 20 . 1 1 99 99 ARG N N 99 123.544 123.544 119.997 3.547 25436 11840 1 20 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.529 -0.160 25436 11841 1 20 . 1 1 99 99 ARG C C 99 176.230 176.230 176.417 -0.187 25436 11842 1 20 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.550 0.444 25436 11843 1 20 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.139 0.025 25436 11844 1 20 . 1 1 99 99 ARG H H 99 8.468 8.468 8.460 0.008 25436 11845 1 20 . 1 1 100 100 SER N N 100 117.781 117.781 116.867 0.914 25436 11846 1 20 . 1 1 100 100 SER HA H 100 4.452 4.452 4.451 0.001 25436 11847 1 20 . 1 1 100 100 SER C C 100 174.555 174.555 175.958 -1.403 25436 11848 1 20 . 1 1 100 100 SER CA C 100 58.036 58.036 57.381 0.655 25436 11849 1 20 . 1 1 100 100 SER CB C 100 64.139 64.139 64.001 0.138 25436 11850 1 20 . 1 1 100 100 SER H H 100 8.507 8.507 8.631 -0.124 25436 11851 1 20 . 1 1 101 101 ALA N N 101 126.090 126.090 127.813 -1.723 25436 11852 1 20 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.223 0.047 25436 11853 1 20 . 1 1 101 101 ALA C C 101 178.046 178.046 177.078 0.968 25436 11854 1 20 . 1 1 101 101 ALA CA C 101 53.270 53.270 53.700 -0.430 25436 11855 1 20 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.553 0.479 25436 11856 1 20 . 1 1 101 101 ALA H H 101 8.529 8.529 8.791 -0.262 25436 11857 1 20 . 1 1 102 102 ALA N N 102 121.750 121.750 118.131 3.619 25436 11858 1 20 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.431 -0.204 25436 11859 1 20 . 1 1 102 102 ALA C C 102 178.253 178.253 177.520 0.733 25436 11860 1 20 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.384 0.611 25436 11861 1 20 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.873 -0.795 25436 11862 1 20 . 1 1 102 102 ALA H H 102 8.219 8.219 7.471 0.748 25436 11863 1 20 . 1 1 103 103 GLU N N 103 118.819 118.819 117.998 0.821 25436 11864 1 20 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.539 -0.337 25436 11865 1 20 . 1 1 103 103 GLU C C 103 176.515 176.515 176.233 0.282 25436 11866 1 20 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.701 0.968 25436 11867 1 20 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.985 -0.823 25436 11868 1 20 . 1 1 103 103 GLU H H 103 8.100 8.100 7.981 0.119 25436 11869 1 20 . 1 1 104 104 MET N N 104 120.178 120.178 117.139 3.039 25436 11870 1 20 . 1 1 104 104 MET HA H 104 4.332 4.332 4.556 -0.224 25436 11871 1 20 . 1 1 104 104 MET C C 104 175.861 175.861 175.758 0.103 25436 11872 1 20 . 1 1 104 104 MET CA C 104 55.869 55.869 54.341 1.528 25436 11873 1 20 . 1 1 104 104 MET CB C 104 32.993 32.993 33.952 -0.959 25436 11874 1 20 . 1 1 104 104 MET H H 104 8.086 8.086 7.546 0.540 25436 11875 1 20 . 1 1 105 105 TYR N N 105 120.369 120.369 118.928 1.441 25436 11876 1 20 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.356 0.296 25436 11877 1 20 . 1 1 105 105 TYR C C 105 175.318 175.318 177.450 -2.132 25436 11878 1 20 . 1 1 105 105 TYR CA C 105 57.585 57.585 58.025 -0.440 25436 11879 1 20 . 1 1 105 105 TYR CB C 105 38.891 38.891 37.770 1.121 25436 11880 1 20 . 1 1 105 105 TYR H H 105 8.137 8.137 8.138 -0.001 25436 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 100 2.924 -0.782 2.832 25436 2 1 1 "Average Difference" HA 112 0.369 0.071 0.364 25436 3 1 1 "Average Difference" C 103 1.384 -0.280 1.362 25436 4 1 1 "Average Difference" CA 103 1.355 -0.493 1.268 25436 5 1 1 "Average Difference" CB 94 1.101 0.312 1.062 25436 6 1 1 "Average Difference" HN 100 0.486 -0.076 0.483 25436 7 1 2 "Average Difference" N 100 3.014 -0.816 2.916 25436 8 1 2 "Average Difference" HA 112 0.367 0.074 0.362 25436 9 1 2 "Average Difference" C 103 1.348 -0.287 1.323 25436 10 1 2 "Average Difference" CA 103 1.474 -0.506 1.391 25436 11 1 2 "Average Difference" CB 94 1.131 0.260 1.106 25436 12 1 2 "Average Difference" HN 100 0.486 -0.086 0.481 25436 13 1 3 "Average Difference" N 100 3.117 -0.954 2.983 25436 14 1 3 "Average Difference" HA 112 0.362 0.078 0.355 25436 15 1 3 "Average Difference" C 103 1.357 -0.295 1.331 25436 16 1 3 "Average Difference" CA 103 1.404 -0.466 1.331 25436 17 1 3 "Average Difference" CB 94 1.155 0.323 1.115 25436 18 1 3 "Average Difference" HN 100 0.507 -0.060 0.506 25436 19 1 4 "Average Difference" N 100 3.089 -0.914 2.965 25436 20 1 4 "Average Difference" HA 112 0.371 0.081 0.363 25436 21 1 4 "Average Difference" C 103 1.378 -0.294 1.353 25436 22 1 4 "Average Difference" CA 103 1.379 -0.499 1.292 25436 23 1 4 "Average Difference" CB 94 1.178 0.303 1.145 25436 24 1 4 "Average Difference" HN 100 0.501 -0.101 0.493 25436 25 1 5 "Average Difference" N 100 2.960 -0.962 2.814 25436 26 1 5 "Average Difference" HA 112 0.373 0.084 0.365 25436 27 1 5 "Average Difference" C 103 1.384 -0.307 1.356 25436 28 1 5 "Average Difference" CA 103 1.451 -0.473 1.379 25436 29 1 5 "Average Difference" CB 94 1.112 0.305 1.075 25436 30 1 5 "Average Difference" HN 100 0.533 -0.044 0.534 25436 31 1 6 "Average Difference" N 100 3.050 -0.951 2.913 25436 32 1 6 "Average Difference" HA 112 0.380 0.086 0.372 25436 33 1 6 "Average Difference" C 103 1.369 -0.339 1.333 25436 34 1 6 "Average Difference" CA 103 1.411 -0.505 1.324 25436 35 1 6 "Average Difference" CB 94 1.162 0.308 1.126 25436 36 1 6 "Average Difference" HN 100 0.501 -0.079 0.497 25436 37 1 7 "Average Difference" N 100 2.858 -0.761 2.769 25436 38 1 7 "Average Difference" HA 112 0.366 0.059 0.363 25436 39 1 7 "Average Difference" C 103 1.331 -0.289 1.305 25436 40 1 7 "Average Difference" CA 103 1.296 -0.473 1.213 25436 41 1 7 "Average Difference" CB 94 1.146 0.271 1.119 25436 42 1 7 "Average Difference" HN 100 0.482 -0.077 0.478 25436 43 1 8 "Average Difference" N 100 3.146 -1.076 2.971 25436 44 1 8 "Average Difference" HA 112 0.366 0.067 0.362 25436 45 1 8 "Average Difference" C 103 1.408 -0.306 1.381 25436 46 1 8 "Average Difference" CA 103 1.433 -0.498 1.351 25436 47 1 8 "Average Difference" CB 94 1.153 0.282 1.125 25436 48 1 8 "Average Difference" HN 100 0.479 -0.091 0.473 25436 49 1 9 "Average Difference" N 100 2.932 -0.825 2.828 25436 50 1 9 "Average Difference" HA 112 0.371 0.082 0.363 25436 51 1 9 "Average Difference" C 103 1.395 -0.298 1.369 25436 52 1 9 "Average Difference" CA 103 1.390 -0.460 1.318 25436 53 1 9 "Average Difference" CB 94 1.139 0.345 1.091 25436 54 1 9 "Average Difference" HN 100 0.494 -0.081 0.489 25436 55 1 10 "Average Difference" N 100 2.941 -0.813 2.841 25436 56 1 10 "Average Difference" HA 112 0.375 0.083 0.367 25436 57 1 10 "Average Difference" C 103 1.366 -0.284 1.342 25436 58 1 10 "Average Difference" CA 103 1.392 -0.481 1.313 25436 59 1 10 "Average Difference" CB 94 1.077 0.342 1.026 25436 60 1 10 "Average Difference" HN 100 0.502 -0.079 0.498 25436 61 1 11 "Average Difference" N 100 2.992 -0.866 2.879 25436 62 1 11 "Average Difference" HA 112 0.359 0.073 0.353 25436 63 1 11 "Average Difference" C 103 1.400 -0.298 1.375 25436 64 1 11 "Average Difference" CA 103 1.339 -0.485 1.254 25436 65 1 11 "Average Difference" CB 94 1.128 0.318 1.089 25436 66 1 11 "Average Difference" HN 100 0.481 -0.071 0.478 25436 67 1 12 "Average Difference" N 100 3.295 -1.123 3.113 25436 68 1 12 "Average Difference" HA 112 0.375 0.075 0.369 25436 69 1 12 "Average Difference" C 103 1.392 -0.331 1.359 25436 70 1 12 "Average Difference" CA 103 1.422 -0.463 1.351 25436 71 1 12 "Average Difference" CB 94 1.189 0.266 1.165 25436 72 1 12 "Average Difference" HN 100 0.533 -0.059 0.532 25436 73 1 13 "Average Difference" N 100 3.018 -0.892 2.898 25436 74 1 13 "Average Difference" HA 112 0.356 0.067 0.352 25436 75 1 13 "Average Difference" C 103 1.327 -0.330 1.292 25436 76 1 13 "Average Difference" CA 103 1.360 -0.436 1.294 25436 77 1 13 "Average Difference" CB 94 1.151 0.306 1.115 25436 78 1 13 "Average Difference" HN 100 0.487 -0.085 0.482 25436 79 1 14 "Average Difference" N 100 3.054 -0.832 2.953 25436 80 1 14 "Average Difference" HA 112 0.379 0.069 0.375 25436 81 1 14 "Average Difference" C 103 1.329 -0.295 1.302 25436 82 1 14 "Average Difference" CA 103 1.366 -0.471 1.288 25436 83 1 14 "Average Difference" CB 94 1.086 0.292 1.052 25436 84 1 14 "Average Difference" HN 100 0.490 -0.083 0.485 25436 85 1 15 "Average Difference" N 100 2.963 -0.894 2.839 25436 86 1 15 "Average Difference" HA 112 0.373 0.081 0.366 25436 87 1 15 "Average Difference" C 103 1.362 -0.322 1.330 25436 88 1 15 "Average Difference" CA 103 1.462 -0.498 1.381 25436 89 1 15 "Average Difference" CB 94 1.222 0.309 1.189 25436 90 1 15 "Average Difference" HN 100 0.492 -0.087 0.487 25436 91 1 16 "Average Difference" N 100 3.314 -0.850 3.219 25436 92 1 16 "Average Difference" HA 112 0.372 0.067 0.367 25436 93 1 16 "Average Difference" C 103 1.382 -0.306 1.354 25436 94 1 16 "Average Difference" CA 103 1.417 -0.445 1.352 25436 95 1 16 "Average Difference" CB 94 1.179 0.280 1.151 25436 96 1 16 "Average Difference" HN 100 0.491 -0.088 0.486 25436 97 1 17 "Average Difference" N 100 3.155 -1.002 3.007 25436 98 1 17 "Average Difference" HA 112 0.365 0.057 0.362 25436 99 1 17 "Average Difference" C 103 1.356 -0.273 1.335 25436 100 1 17 "Average Difference" CA 103 1.473 -0.394 1.426 25436 101 1 17 "Average Difference" CB 94 1.174 0.262 1.151 25436 102 1 17 "Average Difference" HN 100 0.487 -0.068 0.485 25436 103 1 18 "Average Difference" N 100 3.016 -0.946 2.879 25436 104 1 18 "Average Difference" HA 112 0.367 0.079 0.360 25436 105 1 18 "Average Difference" C 103 1.384 -0.331 1.351 25436 106 1 18 "Average Difference" CA 103 1.418 -0.455 1.350 25436 107 1 18 "Average Difference" CB 94 1.179 0.354 1.131 25436 108 1 18 "Average Difference" HN 100 0.489 -0.077 0.485 25436 109 1 19 "Average Difference" N 100 3.012 -0.851 2.904 25436 110 1 19 "Average Difference" HA 112 0.357 0.080 0.350 25436 111 1 19 "Average Difference" C 103 1.354 -0.274 1.333 25436 112 1 19 "Average Difference" CA 103 1.380 -0.495 1.294 25436 113 1 19 "Average Difference" CB 94 1.090 0.269 1.062 25436 114 1 19 "Average Difference" HN 100 0.527 -0.087 0.522 25436 115 1 20 "Average Difference" N 100 2.831 -0.665 2.765 25436 116 1 20 "Average Difference" HA 112 0.369 0.077 0.363 25436 117 1 20 "Average Difference" C 103 1.406 -0.266 1.387 25436 118 1 20 "Average Difference" CA 103 1.372 -0.509 1.280 25436 119 1 20 "Average Difference" CB 94 1.191 0.292 1.161 25436 120 1 20 "Average Difference" HN 100 0.509 -0.095 0.503 25436 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 25436 _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 3 3 SER HA H 3 4.564 4.564 4.452 0.112 25436 2 1 . 1 1 3 3 SER C C 3 173.407 173.407 174.771 -1.364 25436 3 1 . 1 1 3 3 SER CA C 3 58.309 58.309 57.639 0.670 25436 4 1 . 1 1 3 3 SER CB C 3 63.980 63.980 63.718 0.262 25436 5 1 . 1 1 4 4 ASN N N 4 120.204 120.204 118.556 1.648 25436 6 1 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.046 0.171 25436 7 1 . 1 1 4 4 ASN C C 4 176.242 176.242 174.028 2.214 25436 8 1 . 1 1 4 4 ASN CA C 4 53.035 53.035 52.498 0.537 25436 9 1 . 1 1 4 4 ASN CB C 4 38.715 38.715 38.625 0.090 25436 10 1 . 1 1 4 4 ASN H H 4 8.783 8.783 8.590 0.193 25436 11 1 . 1 1 5 5 VAL N N 5 122.598 122.598 119.579 3.019 25436 12 1 . 1 1 5 5 VAL HA H 5 3.770 3.770 4.299 -0.529 25436 13 1 . 1 1 5 5 VAL C C 5 177.222 177.222 174.899 2.323 25436 14 1 . 1 1 5 5 VAL CA C 5 65.806 65.806 61.233 4.574 25436 15 1 . 1 1 5 5 VAL CB C 5 30.855 30.855 34.080 -3.225 25436 16 1 . 1 1 5 5 VAL H H 5 8.326 8.326 7.490 0.836 25436 17 1 . 1 1 6 6 THR N N 6 118.450 118.450 116.730 1.720 25436 18 1 . 1 1 6 6 THR HA H 6 4.682 4.682 4.564 0.118 25436 19 1 . 1 1 6 6 THR C C 6 174.349 174.349 173.358 0.991 25436 20 1 . 1 1 6 6 THR CA C 6 60.542 60.542 61.615 -1.073 25436 21 1 . 1 1 6 6 THR CB C 6 69.771 69.771 69.493 0.278 25436 22 1 . 1 1 6 6 THR H H 6 9.391 9.391 8.393 0.998 25436 23 1 . 1 1 7 7 ASN N N 7 120.847 120.847 118.298 2.549 25436 24 1 . 1 1 7 7 ASN HA H 7 4.555 4.555 4.529 0.026 25436 25 1 . 1 1 7 7 ASN C C 7 176.863 176.863 175.520 1.343 25436 26 1 . 1 1 7 7 ASN CA C 7 51.909 51.909 52.713 -0.804 25436 27 1 . 1 1 7 7 ASN CB C 7 38.059 38.059 37.995 0.064 25436 28 1 . 1 1 7 7 ASN H H 7 7.970 7.970 7.940 0.030 25436 29 1 . 1 1 8 8 LYS N N 8 121.736 121.736 120.788 0.948 25436 30 1 . 1 1 8 8 LYS HA H 8 4.254 4.254 4.285 -0.031 25436 31 1 . 1 1 8 8 LYS C C 8 180.141 180.141 176.938 3.203 25436 32 1 . 1 1 8 8 LYS CA C 8 58.221 58.221 56.384 1.837 25436 33 1 . 1 1 8 8 LYS CB C 8 32.290 32.290 32.944 -0.654 25436 34 1 . 1 1 8 8 LYS H H 8 8.577 8.577 8.128 0.449 25436 35 1 . 1 1 9 9 THR N N 9 110.800 110.800 110.144 0.656 25436 36 1 . 1 1 9 9 THR HA H 9 4.467 4.467 4.410 0.057 25436 37 1 . 1 1 9 9 THR C C 9 174.484 174.484 173.603 0.881 25436 38 1 . 1 1 9 9 THR CA C 9 61.242 61.242 61.060 0.181 25436 39 1 . 1 1 9 9 THR CB C 9 69.009 69.009 69.441 -0.432 25436 40 1 . 1 1 9 9 THR H H 9 8.695 8.695 8.302 0.393 25436 41 1 . 1 1 10 10 ASP N N 10 120.937 120.937 124.009 -3.072 25436 42 1 . 1 1 10 10 ASP HA H 10 4.823 4.823 4.805 0.018 25436 43 1 . 1 1 10 10 ASP C C 10 173.945 173.945 176.428 -2.483 25436 44 1 . 1 1 10 10 ASP CA C 10 52.486 52.486 53.556 -1.070 25436 45 1 . 1 1 10 10 ASP CB C 10 39.550 39.550 41.640 -2.090 25436 46 1 . 1 1 10 10 ASP H H 10 7.908 7.908 7.884 0.024 25436 47 1 . 1 1 11 11 PRO HA H 11 4.150 4.150 4.386 -0.236 25436 48 1 . 1 1 11 11 PRO C C 11 178.420 178.420 176.371 2.049 25436 49 1 . 1 1 11 11 PRO CA C 11 66.213 66.213 64.840 1.373 25436 50 1 . 1 1 11 11 PRO CB C 11 32.155 32.155 31.984 0.171 25436 51 1 . 1 1 12 12 ARG N N 12 116.349 116.349 113.578 2.771 25436 52 1 . 1 1 12 12 ARG HA H 12 4.095 4.095 4.764 -0.669 25436 53 1 . 1 1 12 12 ARG C C 12 180.445 180.445 176.387 4.058 25436 54 1 . 1 1 12 12 ARG CA C 12 59.571 59.571 56.287 3.284 25436 55 1 . 1 1 12 12 ARG CB C 12 29.235 29.235 29.779 -0.544 25436 56 1 . 1 1 12 12 ARG H H 12 7.944 7.944 7.994 -0.050 25436 57 1 . 1 1 13 13 SER N N 13 119.401 119.401 115.384 4.017 25436 58 1 . 1 1 13 13 SER HA H 13 4.053 4.053 4.664 -0.611 25436 59 1 . 1 1 13 13 SER C C 13 175.325 175.325 175.504 -0.179 25436 60 1 . 1 1 13 13 SER CA C 13 61.500 61.500 59.722 1.778 25436 61 1 . 1 1 13 13 SER CB C 13 61.798 61.798 63.960 -2.162 25436 62 1 . 1 1 13 13 SER H H 13 8.152 8.152 7.696 0.456 25436 63 1 . 1 1 14 14 MET N N 14 120.254 120.254 117.575 2.679 25436 64 1 . 1 1 14 14 MET HA H 14 4.090 4.090 4.319 -0.229 25436 65 1 . 1 1 14 14 MET C C 14 178.575 178.575 175.704 2.871 25436 66 1 . 1 1 14 14 MET CA C 14 58.317 58.317 57.397 0.920 25436 67 1 . 1 1 14 14 MET CB C 14 31.466 31.466 32.980 -1.514 25436 68 1 . 1 1 14 14 MET H H 14 8.241 8.241 7.875 0.366 25436 69 1 . 1 1 15 15 ASN N N 15 115.299 115.299 110.680 4.619 25436 70 1 . 1 1 15 15 ASN HA H 15 4.626 4.626 4.841 -0.215 25436 71 1 . 1 1 15 15 ASN C C 15 172.554 172.554 175.802 -3.248 25436 72 1 . 1 1 15 15 ASN CA C 15 54.060 54.060 53.045 1.015 25436 73 1 . 1 1 15 15 ASN CB C 15 38.796 38.796 39.272 -0.476 25436 74 1 . 1 1 15 15 ASN H H 15 7.962 7.962 8.058 -0.096 25436 75 1 . 1 1 16 16 SER N N 16 106.079 106.079 113.811 -7.732 25436 76 1 . 1 1 16 16 SER HA H 16 4.500 4.500 4.749 -0.249 25436 77 1 . 1 1 16 16 SER C C 16 172.120 172.120 173.822 -1.702 25436 78 1 . 1 1 16 16 SER CA C 16 56.814 56.814 58.119 -1.305 25436 79 1 . 1 1 16 16 SER CB C 16 63.439 63.439 63.810 -0.371 25436 80 1 . 1 1 16 16 SER H H 16 7.249 7.249 7.850 -0.601 25436 81 1 . 1 1 17 17 ARG N N 17 123.335 123.335 121.408 1.927 25436 82 1 . 1 1 17 17 ARG HA H 17 5.585 5.585 5.208 0.377 25436 83 1 . 1 1 17 17 ARG C C 17 174.490 174.490 174.698 -0.208 25436 84 1 . 1 1 17 17 ARG CA C 17 54.364 54.364 54.891 -0.527 25436 85 1 . 1 1 17 17 ARG CB C 17 32.858 32.858 33.922 -1.064 25436 86 1 . 1 1 17 17 ARG H H 17 7.400 7.400 7.573 -0.173 25436 87 1 . 1 1 18 18 VAL N N 18 122.241 122.241 121.351 0.890 25436 88 1 . 1 1 18 18 VAL HA H 18 4.717 4.717 4.634 0.083 25436 89 1 . 1 1 18 18 VAL C C 18 174.862 174.862 174.307 0.555 25436 90 1 . 1 1 18 18 VAL CA C 18 60.723 60.723 61.158 -0.435 25436 91 1 . 1 1 18 18 VAL CB C 18 34.281 34.281 34.231 0.050 25436 92 1 . 1 1 18 18 VAL H H 18 9.264 9.264 8.885 0.379 25436 93 1 . 1 1 19 19 PHE N N 19 125.933 125.933 128.930 -2.997 25436 94 1 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.309 0.157 25436 95 1 . 1 1 19 19 PHE C C 19 171.966 171.966 173.429 -1.463 25436 96 1 . 1 1 19 19 PHE CA C 19 57.123 57.123 55.214 1.909 25436 97 1 . 1 1 19 19 PHE CB C 19 40.945 40.945 41.839 -0.894 25436 98 1 . 1 1 19 19 PHE H H 19 9.162 9.162 9.187 -0.025 25436 99 1 . 1 1 20 20 ILE N N 20 126.425 126.425 126.860 -0.435 25436 100 1 . 1 1 20 20 ILE HA H 20 3.869 3.869 4.163 -0.294 25436 101 1 . 1 1 20 20 ILE C C 20 173.048 173.048 174.163 -1.115 25436 102 1 . 1 1 20 20 ILE CA C 20 59.330 59.330 60.012 -0.682 25436 103 1 . 1 1 20 20 ILE CB C 20 39.035 39.035 38.918 0.117 25436 104 1 . 1 1 20 20 ILE H H 20 7.723 7.723 7.932 -0.209 25436 105 1 . 1 1 21 21 GLY N N 21 113.255 113.255 111.231 2.024 25436 106 1 . 1 1 21 21 GLY C C 21 173.768 173.768 174.291 -0.523 25436 107 1 . 1 1 21 21 GLY CA C 21 43.930 43.930 43.001 0.929 25436 108 1 . 1 1 21 21 GLY H H 21 8.498 8.498 8.325 0.172 25436 109 1 . 1 1 22 22 ASN N N 22 116.172 116.172 115.709 0.463 25436 110 1 . 1 1 22 22 ASN HA H 22 4.429 4.429 4.296 0.133 25436 111 1 . 1 1 22 22 ASN C C 22 174.204 174.204 174.658 -0.454 25436 112 1 . 1 1 22 22 ASN CA C 22 53.518 53.518 54.185 -0.667 25436 113 1 . 1 1 22 22 ASN CB C 22 38.775 38.775 38.309 0.466 25436 114 1 . 1 1 22 22 ASN H H 22 7.227 7.227 8.451 -1.224 25436 115 1 . 1 1 23 23 LEU N N 23 119.429 119.429 119.095 0.334 25436 116 1 . 1 1 23 23 LEU HA H 23 3.943 3.943 4.308 -0.365 25436 117 1 . 1 1 23 23 LEU C C 23 176.550 176.550 176.717 -0.167 25436 118 1 . 1 1 23 23 LEU CA C 23 52.577 52.577 54.774 -2.197 25436 119 1 . 1 1 23 23 LEU CB C 23 44.368 44.368 43.283 1.085 25436 120 1 . 1 1 23 23 LEU H H 23 7.110 7.110 7.438 -0.328 25436 121 1 . 1 1 24 24 ASN N N 24 122.292 122.292 121.584 0.708 25436 122 1 . 1 1 24 24 ASN HA H 24 5.072 5.072 4.614 0.458 25436 123 1 . 1 1 24 24 ASN C C 24 175.830 175.830 175.685 0.145 25436 124 1 . 1 1 24 24 ASN CA C 24 51.501 51.501 54.131 -2.630 25436 125 1 . 1 1 24 24 ASN CB C 24 35.591 35.591 38.043 -2.452 25436 126 1 . 1 1 24 24 ASN H H 24 8.975 8.975 8.887 0.088 25436 127 1 . 1 1 25 25 THR N N 25 118.371 118.371 112.170 6.201 25436 128 1 . 1 1 25 25 THR HA H 25 4.411 4.411 4.129 0.282 25436 129 1 . 1 1 25 25 THR C C 25 175.285 175.285 174.992 0.293 25436 130 1 . 1 1 25 25 THR CA C 25 63.453 63.453 63.341 0.112 25436 131 1 . 1 1 25 25 THR CB C 25 67.150 67.150 68.241 -1.091 25436 132 1 . 1 1 25 25 THR H H 25 8.466 8.466 8.209 0.257 25436 133 1 . 1 1 26 26 LEU N N 26 121.017 121.017 118.671 2.346 25436 134 1 . 1 1 26 26 LEU HA H 26 4.207 4.207 4.426 -0.219 25436 135 1 . 1 1 26 26 LEU C C 26 178.243 178.243 177.025 1.218 25436 136 1 . 1 1 26 26 LEU CA C 26 56.739 56.739 56.104 0.635 25436 137 1 . 1 1 26 26 LEU CB C 26 41.132 41.132 42.096 -0.964 25436 138 1 . 1 1 26 26 LEU H H 26 7.583 7.583 7.866 -0.283 25436 139 1 . 1 1 27 27 VAL N N 27 115.968 115.968 115.393 0.575 25436 140 1 . 1 1 27 27 VAL HA H 27 4.025 4.025 4.230 -0.205 25436 141 1 . 1 1 27 27 VAL C C 27 175.199 175.199 175.669 -0.470 25436 142 1 . 1 1 27 27 VAL CA C 27 63.209 63.209 62.745 0.464 25436 143 1 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.961 1.221 25436 144 1 . 1 1 27 27 VAL H H 27 6.846 6.846 7.823 -0.977 25436 145 1 . 1 1 28 28 VAL N N 28 121.753 121.753 120.918 0.835 25436 146 1 . 1 1 28 28 VAL HA H 28 3.867 3.867 4.009 -0.142 25436 147 1 . 1 1 28 28 VAL C C 28 174.351 174.351 174.632 -0.281 25436 148 1 . 1 1 28 28 VAL CA C 28 63.180 63.180 62.216 0.964 25436 149 1 . 1 1 28 28 VAL CB C 28 32.045 32.045 33.093 -1.048 25436 150 1 . 1 1 28 28 VAL H H 28 8.389 8.389 7.563 0.827 25436 151 1 . 1 1 29 29 LYS N N 29 124.108 124.108 121.453 2.655 25436 152 1 . 1 1 29 29 LYS HA H 29 4.628 4.628 4.560 0.068 25436 153 1 . 1 1 29 29 LYS C C 29 177.958 177.958 176.436 1.522 25436 154 1 . 1 1 29 29 LYS CA C 29 53.660 53.660 54.097 -0.437 25436 155 1 . 1 1 29 29 LYS CB C 29 34.456 34.456 34.177 0.279 25436 156 1 . 1 1 29 29 LYS H H 29 8.929 8.929 7.934 0.995 25436 157 1 . 1 1 30 30 LYS N N 30 123.352 123.352 121.890 1.462 25436 158 1 . 1 1 30 30 LYS HA H 30 3.663 3.663 3.929 -0.266 25436 159 1 . 1 1 30 30 LYS C C 30 177.638 177.638 178.148 -0.510 25436 160 1 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.568 1.832 25436 161 1 . 1 1 30 30 LYS CB C 30 32.656 32.656 32.014 0.643 25436 162 1 . 1 1 30 30 LYS H H 30 8.994 8.994 8.750 0.244 25436 163 1 . 1 1 31 31 SER N N 31 111.491 111.491 111.218 0.273 25436 164 1 . 1 1 31 31 SER HA H 31 4.175 4.175 4.514 -0.339 25436 165 1 . 1 1 31 31 SER C C 31 177.616 177.616 174.956 2.660 25436 166 1 . 1 1 31 31 SER CA C 31 61.402 61.402 59.615 1.787 25436 167 1 . 1 1 31 31 SER CB C 31 61.541 61.541 62.851 -1.310 25436 168 1 . 1 1 31 31 SER H H 31 8.686 8.686 8.311 0.375 25436 169 1 . 1 1 32 32 ASP N N 32 122.114 122.114 122.334 -0.220 25436 170 1 . 1 1 32 32 ASP HA H 32 4.524 4.524 4.731 -0.207 25436 171 1 . 1 1 32 32 ASP C C 32 178.193 178.193 178.325 -0.132 25436 172 1 . 1 1 32 32 ASP CA C 32 57.195 57.195 56.508 0.687 25436 173 1 . 1 1 32 32 ASP CB C 32 41.813 41.813 41.502 0.311 25436 174 1 . 1 1 32 32 ASP H H 32 7.147 7.147 7.835 -0.688 25436 175 1 . 1 1 33 33 VAL N N 33 120.064 120.064 120.593 -0.529 25436 176 1 . 1 1 33 33 VAL HA H 33 3.468 3.468 3.851 -0.383 25436 177 1 . 1 1 33 33 VAL C C 33 178.623 178.623 177.025 1.598 25436 178 1 . 1 1 33 33 VAL CA C 33 67.337 67.337 66.332 1.005 25436 179 1 . 1 1 33 33 VAL CB C 33 31.296 31.296 31.854 -0.558 25436 180 1 . 1 1 33 33 VAL H H 33 7.939 7.939 7.923 0.016 25436 181 1 . 1 1 34 34 GLU N N 34 118.713 118.713 116.294 2.419 25436 182 1 . 1 1 34 34 GLU HA H 34 3.759 3.759 4.172 -0.413 25436 183 1 . 1 1 34 34 GLU C C 34 178.700 178.700 176.310 2.390 25436 184 1 . 1 1 34 34 GLU CA C 34 60.503 60.503 57.500 3.003 25436 185 1 . 1 1 34 34 GLU CB C 34 29.330 29.330 29.171 0.159 25436 186 1 . 1 1 34 34 GLU H H 34 8.641 8.641 7.942 0.699 25436 187 1 . 1 1 35 35 ALA N N 35 121.519 121.519 120.386 1.133 25436 188 1 . 1 1 35 35 ALA HA H 35 4.150 4.150 4.574 -0.424 25436 189 1 . 1 1 35 35 ALA C C 35 180.482 180.482 178.093 2.389 25436 190 1 . 1 1 35 35 ALA CA C 35 55.542 55.542 52.769 2.773 25436 191 1 . 1 1 35 35 ALA CB C 35 18.057 18.057 20.335 -2.278 25436 192 1 . 1 1 35 35 ALA H H 35 7.818 7.818 7.657 0.161 25436 193 1 . 1 1 36 36 ILE N N 36 117.410 117.410 117.852 -0.442 25436 194 1 . 1 1 36 36 ILE HA H 36 3.668 3.668 4.145 -0.477 25436 195 1 . 1 1 36 36 ILE C C 36 178.664 178.664 176.478 2.186 25436 196 1 . 1 1 36 36 ILE CA C 36 64.790 64.790 63.016 1.774 25436 197 1 . 1 1 36 36 ILE CB C 36 39.785 39.785 39.436 0.349 25436 198 1 . 1 1 36 36 ILE H H 36 7.778 7.778 7.654 0.124 25436 199 1 . 1 1 37 37 PHE N N 37 113.502 113.502 117.351 -3.850 25436 200 1 . 1 1 37 37 PHE HA H 37 4.363 4.363 4.850 -0.487 25436 201 1 . 1 1 37 37 PHE C C 37 179.622 179.622 177.430 2.192 25436 202 1 . 1 1 37 37 PHE CA C 37 62.703 62.703 58.811 3.891 25436 203 1 . 1 1 37 37 PHE CB C 37 37.184 37.184 40.339 -3.155 25436 204 1 . 1 1 37 37 PHE H H 37 8.587 8.587 7.877 0.710 25436 205 1 . 1 1 38 38 SER N N 38 122.010 122.010 115.532 6.478 25436 206 1 . 1 1 38 38 SER HA H 38 4.819 4.819 4.711 0.108 25436 207 1 . 1 1 38 38 SER C C 38 175.438 175.438 175.530 -0.092 25436 208 1 . 1 1 38 38 SER CA C 38 61.462 61.462 59.646 1.816 25436 209 1 . 1 1 38 38 SER CB C 38 62.737 62.737 62.890 -0.153 25436 210 1 . 1 1 38 38 SER H H 38 8.827 8.827 8.687 0.140 25436 211 1 . 1 1 39 39 LYS N N 39 119.345 119.345 117.581 1.764 25436 212 1 . 1 1 39 39 LYS HA H 39 3.967 3.967 4.202 -0.235 25436 213 1 . 1 1 39 39 LYS C C 39 177.063 177.063 176.449 0.614 25436 214 1 . 1 1 39 39 LYS CA C 39 58.259 58.259 57.544 0.715 25436 215 1 . 1 1 39 39 LYS CB C 39 31.562 31.562 31.778 -0.216 25436 216 1 . 1 1 39 39 LYS H H 39 7.057 7.057 8.088 -1.031 25436 217 1 . 1 1 40 40 TYR N N 40 114.420 114.420 118.981 -4.561 25436 218 1 . 1 1 40 40 TYR HA H 40 4.281 4.281 4.570 -0.289 25436 219 1 . 1 1 40 40 TYR C C 40 174.841 174.841 174.325 0.516 25436 220 1 . 1 1 40 40 TYR CA C 40 58.856 58.856 57.586 1.270 25436 221 1 . 1 1 40 40 TYR CB C 40 38.361 38.361 40.303 -1.943 25436 222 1 . 1 1 40 40 TYR H H 40 6.956 6.956 7.638 -0.682 25436 223 1 . 1 1 41 41 GLY N N 41 106.506 106.506 105.048 1.458 25436 224 1 . 1 1 41 41 GLY C C 41 170.572 170.572 172.213 -1.641 25436 225 1 . 1 1 41 41 GLY CA C 41 44.571 44.571 45.227 -0.656 25436 226 1 . 1 1 41 41 GLY H H 41 7.430 7.430 7.385 0.045 25436 227 1 . 1 1 42 42 LYS N N 42 117.771 117.771 121.232 -3.461 25436 228 1 . 1 1 42 42 LYS HA H 42 4.201 4.201 4.591 -0.390 25436 229 1 . 1 1 42 42 LYS C C 42 176.535 176.535 176.276 0.259 25436 230 1 . 1 1 42 42 LYS CA C 42 57.132 57.132 54.608 2.524 25436 231 1 . 1 1 42 42 LYS CB C 42 32.956 32.956 32.659 0.296 25436 232 1 . 1 1 42 42 LYS H H 42 8.037 8.037 8.309 -0.272 25436 233 1 . 1 1 43 43 ILE N N 43 127.134 127.134 127.151 -0.017 25436 234 1 . 1 1 43 43 ILE HA H 43 4.026 4.026 4.381 -0.355 25436 235 1 . 1 1 43 43 ILE C C 43 176.992 176.992 176.044 0.948 25436 236 1 . 1 1 43 43 ILE CA C 43 61.396 61.396 61.881 -0.485 25436 237 1 . 1 1 43 43 ILE CB C 43 38.867 38.867 38.641 0.226 25436 238 1 . 1 1 43 43 ILE H H 43 8.720 8.720 8.544 0.176 25436 239 1 . 1 1 44 44 VAL N N 44 121.988 121.988 120.139 1.849 25436 240 1 . 1 1 44 44 VAL HA H 44 4.368 4.368 4.546 -0.178 25436 241 1 . 1 1 44 44 VAL C C 44 176.854 176.854 175.132 1.722 25436 242 1 . 1 1 44 44 VAL CA C 44 61.885 61.885 60.757 1.128 25436 243 1 . 1 1 44 44 VAL CB C 44 32.472 32.472 32.973 -0.501 25436 244 1 . 1 1 44 44 VAL H H 44 8.707 8.707 8.919 -0.212 25436 245 1 . 1 1 45 45 GLY N N 45 109.497 109.497 107.963 1.534 25436 246 1 . 1 1 45 45 GLY C C 45 171.265 171.265 171.844 -0.579 25436 247 1 . 1 1 45 45 GLY CA C 45 45.017 45.017 45.686 -0.669 25436 248 1 . 1 1 45 45 GLY H H 45 7.541 7.541 7.570 -0.029 25436 249 1 . 1 1 46 46 CYS N N 46 124.565 124.565 120.476 4.089 25436 250 1 . 1 1 46 46 CYS HA H 46 5.011 5.011 5.317 -0.306 25436 251 1 . 1 1 46 46 CYS C C 46 172.072 172.072 172.391 -0.319 25436 252 1 . 1 1 46 46 CYS CA C 46 57.984 57.984 57.228 0.756 25436 253 1 . 1 1 46 46 CYS CB C 46 28.329 28.329 31.001 -2.672 25436 254 1 . 1 1 46 46 CYS H H 46 8.983 8.983 8.775 0.208 25436 255 1 . 1 1 47 47 SER N N 47 122.911 122.911 118.037 4.874 25436 256 1 . 1 1 47 47 SER HA H 47 4.906 4.906 4.836 0.070 25436 257 1 . 1 1 47 47 SER C C 47 171.848 171.848 171.984 -0.136 25436 258 1 . 1 1 47 47 SER CA C 47 56.487 56.487 57.435 -0.948 25436 259 1 . 1 1 47 47 SER CB C 47 65.679 65.679 65.862 -0.183 25436 260 1 . 1 1 47 47 SER H H 47 8.568 8.568 9.043 -0.475 25436 261 1 . 1 1 48 48 VAL N N 48 121.488 121.488 121.277 0.211 25436 262 1 . 1 1 48 48 VAL HA H 48 4.142 4.142 4.167 -0.025 25436 263 1 . 1 1 48 48 VAL C C 48 173.990 173.990 173.944 0.046 25436 264 1 . 1 1 48 48 VAL CA C 48 62.247 62.247 60.905 1.342 25436 265 1 . 1 1 48 48 VAL CB C 48 33.867 33.867 34.942 -1.075 25436 266 1 . 1 1 48 48 VAL H H 48 8.588 8.588 8.197 0.391 25436 267 1 . 1 1 49 49 HIS N N 49 130.227 130.227 124.365 5.862 25436 268 1 . 1 1 49 49 HIS HA H 49 4.409 4.409 4.699 -0.290 25436 269 1 . 1 1 49 49 HIS C C 49 173.949 173.949 173.724 0.225 25436 270 1 . 1 1 49 49 HIS CA C 49 54.666 54.666 54.141 0.525 25436 271 1 . 1 1 49 49 HIS CB C 49 31.118 31.118 32.037 -0.919 25436 272 1 . 1 1 49 49 HIS H H 49 8.380 8.380 8.595 -0.215 25436 273 1 . 1 1 50 50 LYS N N 50 121.171 121.171 119.917 1.254 25436 274 1 . 1 1 50 50 LYS HA H 50 4.434 4.434 3.995 0.439 25436 275 1 . 1 1 50 50 LYS C C 50 175.527 175.527 177.441 -1.914 25436 276 1 . 1 1 50 50 LYS CA C 50 55.918 55.918 56.334 -0.416 25436 277 1 . 1 1 50 50 LYS CB C 50 30.421 30.421 32.216 -1.795 25436 278 1 . 1 1 50 50 LYS H H 50 7.717 7.717 8.167 -0.450 25436 279 1 . 1 1 51 51 GLY N N 51 113.993 113.993 111.874 2.119 25436 280 1 . 1 1 51 51 GLY C C 51 174.252 174.252 172.996 1.256 25436 281 1 . 1 1 51 51 GLY CA C 51 45.407 45.407 46.384 -0.977 25436 282 1 . 1 1 51 51 GLY H H 51 9.404 9.404 8.814 0.590 25436 283 1 . 1 1 52 52 PHE N N 52 112.326 112.326 114.871 -2.545 25436 284 1 . 1 1 52 52 PHE HA H 52 5.292 5.292 5.601 -0.309 25436 285 1 . 1 1 52 52 PHE C C 52 171.605 171.605 172.965 -1.360 25436 286 1 . 1 1 52 52 PHE CA C 52 55.254 55.254 54.410 0.844 25436 287 1 . 1 1 52 52 PHE CB C 52 41.041 41.041 41.449 -0.408 25436 288 1 . 1 1 52 52 PHE H H 52 7.006 7.006 7.105 -0.099 25436 289 1 . 1 1 53 53 ALA N N 53 119.722 119.722 119.274 0.448 25436 290 1 . 1 1 53 53 ALA HA H 53 4.808 4.808 4.842 -0.034 25436 291 1 . 1 1 53 53 ALA C C 53 173.029 173.029 174.530 -1.501 25436 292 1 . 1 1 53 53 ALA CA C 53 50.296 50.296 51.031 -0.735 25436 293 1 . 1 1 53 53 ALA CB C 53 24.799 24.799 22.497 2.302 25436 294 1 . 1 1 53 53 ALA H H 53 8.677 8.677 8.530 0.147 25436 295 1 . 1 1 54 54 PHE N N 54 112.104 112.104 116.378 -4.274 25436 296 1 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.622 -0.042 25436 297 1 . 1 1 54 54 PHE C C 54 175.794 175.794 174.250 1.544 25436 298 1 . 1 1 54 54 PHE CA C 54 56.714 56.714 56.990 -0.276 25436 299 1 . 1 1 54 54 PHE CB C 54 44.286 44.286 44.524 -0.238 25436 300 1 . 1 1 54 54 PHE H H 54 8.797 8.797 8.919 -0.122 25436 301 1 . 1 1 55 55 VAL N N 55 118.542 118.542 120.958 -2.416 25436 302 1 . 1 1 55 55 VAL HA H 55 4.213 4.213 4.412 -0.199 25436 303 1 . 1 1 55 55 VAL C C 55 172.806 172.806 173.743 -0.937 25436 304 1 . 1 1 55 55 VAL CA C 55 61.928 61.928 61.156 0.772 25436 305 1 . 1 1 55 55 VAL CB C 55 34.920 34.920 35.729 -0.809 25436 306 1 . 1 1 55 55 VAL H H 55 8.295 8.295 8.682 -0.387 25436 307 1 . 1 1 56 56 GLN N N 56 128.473 128.473 125.045 3.428 25436 308 1 . 1 1 56 56 GLN HA H 56 4.570 4.570 4.756 -0.186 25436 309 1 . 1 1 56 56 GLN C C 56 173.893 173.893 174.342 -0.448 25436 310 1 . 1 1 56 56 GLN CA C 56 54.264 54.264 53.947 0.317 25436 311 1 . 1 1 56 56 GLN CB C 56 32.070 32.070 30.748 1.322 25436 312 1 . 1 1 56 56 GLN H H 56 9.263 9.263 8.903 0.360 25436 313 1 . 1 1 57 57 TYR N N 57 127.679 127.679 125.428 2.251 25436 314 1 . 1 1 57 57 TYR HA H 57 5.287 5.287 5.241 0.046 25436 315 1 . 1 1 57 57 TYR C C 57 175.609 175.609 176.860 -1.251 25436 316 1 . 1 1 57 57 TYR CA C 57 58.668 58.668 57.358 1.310 25436 317 1 . 1 1 57 57 TYR CB C 57 40.034 40.034 40.156 -0.122 25436 318 1 . 1 1 57 57 TYR H H 57 8.928 8.928 8.907 0.021 25436 319 1 . 1 1 58 58 VAL N N 58 116.710 116.710 117.917 -1.207 25436 320 1 . 1 1 58 58 VAL HA H 58 4.115 4.115 3.908 0.207 25436 321 1 . 1 1 58 58 VAL C C 58 175.859 175.859 175.037 0.822 25436 322 1 . 1 1 58 58 VAL CA C 58 64.058 64.058 64.325 -0.267 25436 323 1 . 1 1 58 58 VAL CB C 58 33.013 33.013 32.164 0.849 25436 324 1 . 1 1 58 58 VAL H H 58 9.479 9.479 8.684 0.795 25436 325 1 . 1 1 59 59 ASN N N 59 112.455 112.455 113.136 -0.681 25436 326 1 . 1 1 59 59 ASN HA H 59 5.159 5.159 4.815 0.344 25436 327 1 . 1 1 59 59 ASN C C 59 174.482 174.482 175.261 -0.779 25436 328 1 . 1 1 59 59 ASN CA C 59 51.942 51.942 51.852 0.090 25436 329 1 . 1 1 59 59 ASN CB C 59 42.192 42.192 40.084 2.108 25436 330 1 . 1 1 59 59 ASN H H 59 7.218 7.218 7.518 -0.300 25436 331 1 . 1 1 60 60 GLU N N 60 124.337 124.337 121.239 3.098 25436 332 1 . 1 1 60 60 GLU HA H 60 4.319 4.319 4.266 0.053 25436 333 1 . 1 1 60 60 GLU C C 60 178.201 178.201 178.119 0.082 25436 334 1 . 1 1 60 60 GLU CA C 60 58.740 58.740 59.544 -0.804 25436 335 1 . 1 1 60 60 GLU CB C 60 30.357 30.357 29.963 0.394 25436 336 1 . 1 1 60 60 GLU H H 60 8.808 8.808 8.977 -0.169 25436 337 1 . 1 1 61 61 ARG N N 61 118.265 118.265 119.810 -1.545 25436 338 1 . 1 1 61 61 ARG HA H 61 3.997 3.997 4.036 -0.039 25436 339 1 . 1 1 61 61 ARG C C 61 179.340 179.340 178.606 0.734 25436 340 1 . 1 1 61 61 ARG CA C 61 59.479 59.479 58.634 0.845 25436 341 1 . 1 1 61 61 ARG CB C 61 29.354 29.354 29.306 0.048 25436 342 1 . 1 1 61 61 ARG H H 61 8.630 8.630 7.996 0.634 25436 343 1 . 1 1 62 62 ASN N N 62 118.081 118.081 117.919 0.162 25436 344 1 . 1 1 62 62 ASN HA H 62 4.280 4.280 4.271 0.009 25436 345 1 . 1 1 62 62 ASN C C 62 174.851 174.851 176.746 -1.895 25436 346 1 . 1 1 62 62 ASN CA C 62 56.452 56.452 56.237 0.215 25436 347 1 . 1 1 62 62 ASN CB C 62 39.018 39.018 38.302 0.716 25436 348 1 . 1 1 62 62 ASN H H 62 7.785 7.785 8.967 -1.182 25436 349 1 . 1 1 63 63 ALA N N 63 119.543 119.543 123.181 -3.638 25436 350 1 . 1 1 63 63 ALA HA H 63 3.756 3.756 4.450 -0.695 25436 351 1 . 1 1 63 63 ALA C C 63 178.861 178.861 179.521 -0.660 25436 352 1 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.116 -0.156 25436 353 1 . 1 1 63 63 ALA CB C 63 18.540 18.540 18.770 -0.230 25436 354 1 . 1 1 63 63 ALA H H 63 6.779 6.779 7.395 -0.616 25436 355 1 . 1 1 64 64 ARG N N 64 114.965 114.965 117.700 -2.735 25436 356 1 . 1 1 64 64 ARG HA H 64 3.842 3.842 4.082 -0.239 25436 357 1 . 1 1 64 64 ARG C C 64 179.775 179.775 178.566 1.209 25436 358 1 . 1 1 64 64 ARG CA C 64 60.190 60.190 57.902 2.288 25436 359 1 . 1 1 64 64 ARG CB C 64 29.313 29.313 29.606 -0.293 25436 360 1 . 1 1 64 64 ARG H H 64 8.755 8.755 8.295 0.460 25436 361 1 . 1 1 65 65 ALA N N 65 123.704 123.704 121.859 1.845 25436 362 1 . 1 1 65 65 ALA HA H 65 4.130 4.130 4.102 0.028 25436 363 1 . 1 1 65 65 ALA C C 65 179.560 179.560 178.442 1.118 25436 364 1 . 1 1 65 65 ALA CA C 65 54.979 54.979 54.818 0.161 25436 365 1 . 1 1 65 65 ALA CB C 65 17.892 17.892 18.251 -0.359 25436 366 1 . 1 1 65 65 ALA H H 65 7.823 7.823 7.518 0.305 25436 367 1 . 1 1 66 66 ALA N N 66 123.797 123.797 118.932 4.865 25436 368 1 . 1 1 66 66 ALA HA H 66 2.076 2.076 3.598 -1.522 25436 369 1 . 1 1 66 66 ALA C C 66 179.259 179.259 179.318 -0.059 25436 370 1 . 1 1 66 66 ALA CA C 66 54.288 54.288 54.040 0.248 25436 371 1 . 1 1 66 66 ALA CB C 66 19.275 19.275 19.231 0.044 25436 372 1 . 1 1 66 66 ALA H H 66 7.545 7.545 7.478 0.067 25436 373 1 . 1 1 67 67 VAL N N 67 116.549 116.549 117.962 -1.413 25436 374 1 . 1 1 67 67 VAL HA H 67 3.354 3.354 3.816 -0.462 25436 375 1 . 1 1 67 67 VAL C C 67 177.744 177.744 176.496 1.248 25436 376 1 . 1 1 67 67 VAL CA C 67 66.533 66.533 66.022 0.511 25436 377 1 . 1 1 67 67 VAL CB C 67 31.969 31.969 31.677 0.292 25436 378 1 . 1 1 67 67 VAL H H 67 7.619 7.619 8.461 -0.842 25436 379 1 . 1 1 68 68 ALA N N 68 118.193 118.193 119.558 -1.365 25436 380 1 . 1 1 68 68 ALA HA H 68 4.127 4.127 4.440 -0.313 25436 381 1 . 1 1 68 68 ALA C C 68 180.748 180.748 177.938 2.810 25436 382 1 . 1 1 68 68 ALA CA C 68 54.361 54.361 52.804 1.557 25436 383 1 . 1 1 68 68 ALA CB C 68 18.128 18.128 19.316 -1.188 25436 384 1 . 1 1 68 68 ALA H H 68 7.550 7.550 7.455 0.095 25436 385 1 . 1 1 69 69 GLY N N 69 103.773 103.773 106.553 -2.780 25436 386 1 . 1 1 69 69 GLY C C 69 175.626 175.626 175.374 0.252 25436 387 1 . 1 1 69 69 GLY CA C 69 46.126 46.126 45.480 0.646 25436 388 1 . 1 1 69 69 GLY H H 69 8.140 8.140 7.412 0.728 25436 389 1 . 1 1 70 70 GLU N N 70 114.547 114.547 117.960 -3.413 25436 390 1 . 1 1 70 70 GLU HA H 70 4.636 4.636 4.413 0.223 25436 391 1 . 1 1 70 70 GLU C C 70 176.391 176.391 175.216 1.175 25436 392 1 . 1 1 70 70 GLU CA C 70 55.159 55.159 55.669 -0.510 25436 393 1 . 1 1 70 70 GLU CB C 70 31.265 31.265 31.258 0.007 25436 394 1 . 1 1 70 70 GLU H H 70 7.654 7.654 7.852 -0.198 25436 395 1 . 1 1 71 71 ASP N N 71 118.202 118.202 120.364 -2.162 25436 396 1 . 1 1 71 71 ASP HA H 71 4.287 4.287 4.318 -0.031 25436 397 1 . 1 1 71 71 ASP C C 71 178.698 178.698 177.763 0.935 25436 398 1 . 1 1 71 71 ASP CA C 71 57.531 57.531 56.092 1.439 25436 399 1 . 1 1 71 71 ASP CB C 71 41.371 41.371 40.970 0.401 25436 400 1 . 1 1 71 71 ASP H H 71 8.020 8.020 7.535 0.485 25436 401 1 . 1 1 72 72 GLY N N 72 114.301 114.301 114.498 -0.197 25436 402 1 . 1 1 72 72 GLY C C 72 173.791 173.791 173.648 0.143 25436 403 1 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.192 0.567 25436 404 1 . 1 1 72 72 GLY H H 72 8.305 8.305 8.432 -0.127 25436 405 1 . 1 1 73 73 ARG N N 73 121.994 121.994 118.458 3.536 25436 406 1 . 1 1 73 73 ARG HA H 73 4.195 4.195 4.547 -0.352 25436 407 1 . 1 1 73 73 ARG C C 73 175.187 175.187 174.941 0.246 25436 408 1 . 1 1 73 73 ARG CA C 73 56.502 56.502 54.744 1.758 25436 409 1 . 1 1 73 73 ARG CB C 73 31.252 31.252 31.837 -0.585 25436 410 1 . 1 1 73 73 ARG H H 73 7.980 7.980 7.742 0.238 25436 411 1 . 1 1 74 74 MET N N 74 125.081 125.081 122.019 3.062 25436 412 1 . 1 1 74 74 MET HA H 74 4.823 4.823 5.122 -0.299 25436 413 1 . 1 1 74 74 MET C C 74 175.726 175.726 175.114 0.612 25436 414 1 . 1 1 74 74 MET CA C 74 55.029 55.029 55.212 -0.183 25436 415 1 . 1 1 74 74 MET CB C 74 33.092 33.092 34.617 -1.525 25436 416 1 . 1 1 74 74 MET H H 74 8.712 8.712 8.423 0.289 25436 417 1 . 1 1 75 75 ILE N N 75 127.490 127.490 125.481 2.009 25436 418 1 . 1 1 75 75 ILE HA H 75 4.382 4.382 4.485 -0.103 25436 419 1 . 1 1 75 75 ILE C C 75 175.276 175.276 175.482 -0.206 25436 420 1 . 1 1 75 75 ILE CA C 75 59.804 59.804 60.829 -1.025 25436 421 1 . 1 1 75 75 ILE CB C 75 40.396 40.396 41.197 -0.801 25436 422 1 . 1 1 75 75 ILE H H 75 8.589 8.589 8.964 -0.375 25436 423 1 . 1 1 76 76 ALA N N 76 132.147 132.147 128.310 3.837 25436 424 1 . 1 1 76 76 ALA HA H 76 4.038 4.038 4.031 0.007 25436 425 1 . 1 1 76 76 ALA C C 76 177.205 177.205 177.651 -0.446 25436 426 1 . 1 1 76 76 ALA CA C 76 52.934 52.934 54.054 -1.120 25436 427 1 . 1 1 76 76 ALA CB C 76 17.148 17.148 17.123 0.025 25436 428 1 . 1 1 76 76 ALA H H 76 9.547 9.547 8.929 0.618 25436 429 1 . 1 1 77 77 GLY N N 77 101.695 101.695 101.962 -0.267 25436 430 1 . 1 1 77 77 GLY C C 77 174.205 174.205 174.241 -0.036 25436 431 1 . 1 1 77 77 GLY CA C 77 45.763 45.763 44.924 0.839 25436 432 1 . 1 1 77 77 GLY H H 77 8.445 8.445 8.303 0.142 25436 433 1 . 1 1 78 78 GLN N N 78 119.020 119.020 118.696 0.324 25436 434 1 . 1 1 78 78 GLN HA H 78 4.729 4.729 4.729 -0.000 25436 435 1 . 1 1 78 78 GLN C C 78 174.046 174.046 174.251 -0.205 25436 436 1 . 1 1 78 78 GLN CA C 78 54.195 54.195 54.103 0.092 25436 437 1 . 1 1 78 78 GLN CB C 78 31.889 31.889 32.662 -0.772 25436 438 1 . 1 1 78 78 GLN H H 78 7.720 7.720 7.898 -0.178 25436 439 1 . 1 1 79 79 VAL N N 79 123.374 123.374 121.506 1.868 25436 440 1 . 1 1 79 79 VAL HA H 79 4.012 4.012 4.978 -0.966 25436 441 1 . 1 1 79 79 VAL C C 79 176.347 176.347 175.666 0.681 25436 442 1 . 1 1 79 79 VAL CA C 79 62.655 62.655 61.199 1.456 25436 443 1 . 1 1 79 79 VAL CB C 79 32.084 32.084 33.068 -0.984 25436 444 1 . 1 1 79 79 VAL H H 79 8.532 8.532 8.396 0.136 25436 445 1 . 1 1 80 80 LEU N N 80 128.569 128.569 122.514 6.055 25436 446 1 . 1 1 80 80 LEU HA H 80 4.287 4.287 4.935 -0.648 25436 447 1 . 1 1 80 80 LEU C C 80 176.521 176.521 175.276 1.245 25436 448 1 . 1 1 80 80 LEU CA C 80 56.063 56.063 52.118 3.945 25436 449 1 . 1 1 80 80 LEU CB C 80 42.821 42.821 43.085 -0.264 25436 450 1 . 1 1 80 80 LEU H H 80 9.014 9.014 8.184 0.830 25436 451 1 . 1 1 81 81 ASP N N 81 124.359 124.359 122.546 1.813 25436 452 1 . 1 1 81 81 ASP HA H 81 5.225 5.225 5.128 0.097 25436 453 1 . 1 1 81 81 ASP C C 81 174.659 174.659 175.364 -0.705 25436 454 1 . 1 1 81 81 ASP CA C 81 52.955 52.955 53.175 -0.220 25436 455 1 . 1 1 81 81 ASP CB C 81 42.672 42.672 41.720 0.952 25436 456 1 . 1 1 81 81 ASP H H 81 7.850 7.850 8.384 -0.534 25436 457 1 . 1 1 82 82 ILE N N 82 123.155 123.155 126.322 -3.167 25436 458 1 . 1 1 82 82 ILE HA H 82 5.402 5.402 4.930 0.472 25436 459 1 . 1 1 82 82 ILE C C 82 174.520 174.520 175.213 -0.693 25436 460 1 . 1 1 82 82 ILE CA C 82 59.232 59.232 60.177 -0.945 25436 461 1 . 1 1 82 82 ILE CB C 82 40.963 40.963 39.779 1.184 25436 462 1 . 1 1 82 82 ILE H H 82 9.086 9.086 8.588 0.498 25436 463 1 . 1 1 83 83 ASN N N 83 116.417 116.417 122.309 -5.892 25436 464 1 . 1 1 83 83 ASN HA H 83 4.847 4.847 4.975 -0.128 25436 465 1 . 1 1 83 83 ASN C C 83 174.565 174.565 173.652 0.913 25436 466 1 . 1 1 83 83 ASN CA C 83 53.048 53.048 52.070 0.978 25436 467 1 . 1 1 83 83 ASN CB C 83 43.110 43.110 42.181 0.929 25436 468 1 . 1 1 83 83 ASN H H 83 8.495 8.495 8.541 -0.046 25436 469 1 . 1 1 84 84 LEU N N 84 123.786 123.786 121.888 1.898 25436 470 1 . 1 1 84 84 LEU HA H 84 4.722 4.722 4.479 0.243 25436 471 1 . 1 1 84 84 LEU C C 84 180.968 180.968 178.513 2.455 25436 472 1 . 1 1 84 84 LEU CA C 84 56.300 56.300 56.291 0.009 25436 473 1 . 1 1 84 84 LEU CB C 84 41.316 41.316 43.087 -1.771 25436 474 1 . 1 1 84 84 LEU H H 84 9.427 9.427 8.835 0.592 25436 475 1 . 1 1 85 85 ALA N N 85 127.571 127.571 126.664 0.907 25436 476 1 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.382 -0.334 25436 477 1 . 1 1 85 85 ALA C C 85 177.931 177.931 176.680 1.251 25436 478 1 . 1 1 85 85 ALA CA C 85 56.296 56.296 54.128 2.169 25436 479 1 . 1 1 85 85 ALA CB C 85 17.953 17.953 19.069 -1.116 25436 480 1 . 1 1 85 85 ALA H H 85 9.295 9.295 8.438 0.857 25436 481 1 . 1 1 86 86 ALA N N 86 115.985 115.985 118.227 -2.242 25436 482 1 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.419 -0.008 25436 483 1 . 1 1 86 86 ALA C C 86 176.152 176.152 176.655 -0.503 25436 484 1 . 1 1 86 86 ALA CA C 86 51.772 51.772 51.983 -0.211 25436 485 1 . 1 1 86 86 ALA CB C 86 19.325 19.325 19.281 0.044 25436 486 1 . 1 1 86 86 ALA H H 86 8.657 8.657 8.151 0.506 25436 487 1 . 1 1 87 87 GLU N N 87 118.975 118.975 119.551 -0.576 25436 488 1 . 1 1 87 87 GLU HA H 87 4.735 4.735 4.629 0.106 25436 489 1 . 1 1 87 87 GLU C C 87 171.676 171.676 173.974 -2.298 25436 490 1 . 1 1 87 87 GLU CA C 87 53.148 53.148 53.352 -0.204 25436 491 1 . 1 1 87 87 GLU CB C 87 29.916 29.916 29.962 -0.045 25436 492 1 . 1 1 87 87 GLU H H 87 7.913 7.913 7.810 0.103 25436 493 1 . 1 1 88 88 PRO HA H 88 4.347 4.347 4.504 -0.157 25436 494 1 . 1 1 88 88 PRO C C 88 177.303 177.303 176.555 0.748 25436 495 1 . 1 1 88 88 PRO CA C 88 62.878 62.878 63.227 -0.349 25436 496 1 . 1 1 88 88 PRO CB C 88 31.902 31.902 32.185 -0.283 25436 497 1 . 1 1 89 89 LYS N N 89 121.335 121.335 121.247 0.088 25436 498 1 . 1 1 89 89 LYS HA H 89 4.240 4.240 4.416 -0.176 25436 499 1 . 1 1 89 89 LYS C C 89 177.689 177.689 175.971 1.718 25436 500 1 . 1 1 89 89 LYS CA C 89 56.751 56.751 56.536 0.215 25436 501 1 . 1 1 89 89 LYS CB C 89 33.436 33.436 33.105 0.331 25436 502 1 . 1 1 89 89 LYS H H 89 8.020 8.020 8.464 -0.444 25436 503 1 . 1 1 90 90 VAL N N 90 120.786 120.786 119.841 0.945 25436 504 1 . 1 1 90 90 VAL HA H 90 3.922 3.922 4.215 -0.293 25436 505 1 . 1 1 90 90 VAL C C 90 176.169 176.169 175.780 0.389 25436 506 1 . 1 1 90 90 VAL CA C 90 63.298 63.298 61.060 2.238 25436 507 1 . 1 1 90 90 VAL CB C 90 32.267 32.267 33.718 -1.451 25436 508 1 . 1 1 90 90 VAL H H 90 8.232 8.232 7.660 0.572 25436 509 1 . 1 1 91 91 ASN N N 91 119.214 119.214 121.588 -2.374 25436 510 1 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.676 -0.017 25436 511 1 . 1 1 91 91 ASN C C 91 175.172 175.172 175.346 -0.174 25436 512 1 . 1 1 91 91 ASN CA C 91 53.028 53.028 53.598 -0.570 25436 513 1 . 1 1 91 91 ASN CB C 91 38.169 38.169 38.589 -0.420 25436 514 1 . 1 1 91 91 ASN H H 91 8.453 8.453 8.700 -0.247 25436 515 1 . 1 1 92 92 ARG N N 92 120.709 120.709 116.719 3.990 25436 516 1 . 1 1 92 92 ARG HA H 92 4.254 4.254 4.064 0.190 25436 517 1 . 1 1 92 92 ARG C C 92 176.991 176.991 176.489 0.502 25436 518 1 . 1 1 92 92 ARG CA C 92 56.500 56.500 56.846 -0.346 25436 519 1 . 1 1 92 92 ARG CB C 92 30.607 30.607 28.302 2.305 25436 520 1 . 1 1 92 92 ARG H H 92 7.925 7.925 8.261 -0.336 25436 521 1 . 1 1 93 93 GLY N N 93 110.299 110.299 106.198 4.101 25436 522 1 . 1 1 93 93 GLY C C 93 174.245 174.245 174.368 -0.123 25436 523 1 . 1 1 93 93 GLY CA C 93 45.416 45.416 44.941 0.475 25436 524 1 . 1 1 93 93 GLY H H 93 8.593 8.593 8.496 0.097 25436 525 1 . 1 1 94 94 LYS N N 94 120.781 120.781 116.571 4.210 25436 526 1 . 1 1 94 94 LYS HA H 94 4.294 4.294 3.974 0.320 25436 527 1 . 1 1 94 94 LYS C C 94 176.524 176.524 175.267 1.258 25436 528 1 . 1 1 94 94 LYS CA C 94 56.107 56.107 57.538 -1.431 25436 529 1 . 1 1 94 94 LYS CB C 94 33.140 33.140 31.640 1.500 25436 530 1 . 1 1 94 94 LYS H H 94 8.126 8.126 8.169 -0.043 25436 531 1 . 1 1 95 95 ALA N N 95 125.012 125.012 119.106 5.906 25436 532 1 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.606 -0.307 25436 533 1 . 1 1 95 95 ALA C C 95 178.324 178.324 177.650 0.674 25436 534 1 . 1 1 95 95 ALA CA C 95 52.801 52.801 51.895 0.906 25436 535 1 . 1 1 95 95 ALA CB C 95 19.178 19.178 20.401 -1.223 25436 536 1 . 1 1 95 95 ALA H H 95 8.435 8.435 7.648 0.787 25436 537 1 . 1 1 96 96 GLY N N 96 108.312 108.312 106.910 1.403 25436 538 1 . 1 1 96 96 GLY C C 96 174.095 174.095 174.932 -0.837 25436 539 1 . 1 1 96 96 GLY CA C 96 45.282 45.282 45.977 -0.695 25436 540 1 . 1 1 96 96 GLY H H 96 8.414 8.414 8.583 -0.169 25436 541 1 . 1 1 97 97 VAL N N 97 119.818 119.818 118.660 1.158 25436 542 1 . 1 1 97 97 VAL HA H 97 4.072 4.072 4.019 0.053 25436 543 1 . 1 1 97 97 VAL C C 97 176.155 176.155 176.286 -0.131 25436 544 1 . 1 1 97 97 VAL CA C 97 62.344 62.344 63.384 -1.040 25436 545 1 . 1 1 97 97 VAL CB C 97 32.757 32.757 31.957 0.800 25436 546 1 . 1 1 97 97 VAL H H 97 7.919 7.919 7.899 0.020 25436 547 1 . 1 1 98 98 LYS N N 98 125.912 125.912 120.267 5.645 25436 548 1 . 1 1 98 98 LYS HA H 98 4.333 4.333 4.387 -0.054 25436 549 1 . 1 1 98 98 LYS C C 98 176.426 176.426 176.291 0.135 25436 550 1 . 1 1 98 98 LYS CA C 98 56.169 56.169 55.694 0.475 25436 551 1 . 1 1 98 98 LYS CB C 98 33.048 33.048 33.063 -0.015 25436 552 1 . 1 1 98 98 LYS H H 98 8.466 8.466 7.694 0.772 25436 553 1 . 1 1 99 99 ARG N N 99 123.544 123.544 120.693 2.851 25436 554 1 . 1 1 99 99 ARG HA H 99 4.369 4.369 4.479 -0.110 25436 555 1 . 1 1 99 99 ARG C C 99 176.230 176.230 176.123 0.107 25436 556 1 . 1 1 99 99 ARG CA C 99 55.994 55.994 55.470 0.524 25436 557 1 . 1 1 99 99 ARG CB C 99 31.164 31.164 31.507 -0.343 25436 558 1 . 1 1 99 99 ARG H H 99 8.468 8.468 8.490 -0.022 25436 559 1 . 1 1 100 100 SER N N 100 117.781 117.781 116.036 1.745 25436 560 1 . 1 1 100 100 SER HA H 100 4.452 4.452 4.514 -0.062 25436 561 1 . 1 1 100 100 SER C C 100 174.555 174.555 175.953 -1.398 25436 562 1 . 1 1 100 100 SER CA C 100 58.036 58.036 57.512 0.524 25436 563 1 . 1 1 100 100 SER CB C 100 64.139 64.139 64.073 0.066 25436 564 1 . 1 1 100 100 SER H H 100 8.507 8.507 8.504 0.003 25436 565 1 . 1 1 101 101 ALA N N 101 126.090 126.090 127.209 -1.119 25436 566 1 . 1 1 101 101 ALA HA H 101 4.270 4.270 4.202 0.068 25436 567 1 . 1 1 101 101 ALA C C 101 178.046 178.046 177.418 0.628 25436 568 1 . 1 1 101 101 ALA CA C 101 53.270 53.270 54.007 -0.737 25436 569 1 . 1 1 101 101 ALA CB C 101 19.032 19.032 18.414 0.618 25436 570 1 . 1 1 101 101 ALA H H 101 8.529 8.529 8.812 -0.283 25436 571 1 . 1 1 102 102 ALA N N 102 121.750 121.750 118.945 2.805 25436 572 1 . 1 1 102 102 ALA HA H 102 4.227 4.227 4.456 -0.229 25436 573 1 . 1 1 102 102 ALA C C 102 178.253 178.253 177.736 0.517 25436 574 1 . 1 1 102 102 ALA CA C 102 52.995 52.995 52.650 0.345 25436 575 1 . 1 1 102 102 ALA CB C 102 19.078 19.078 19.867 -0.789 25436 576 1 . 1 1 102 102 ALA H H 102 8.219 8.219 7.679 0.540 25436 577 1 . 1 1 103 103 GLU N N 103 118.819 118.819 117.590 1.229 25436 578 1 . 1 1 103 103 GLU HA H 103 4.202 4.202 4.490 -0.287 25436 579 1 . 1 1 103 103 GLU C C 103 176.515 176.515 176.623 -0.108 25436 580 1 . 1 1 103 103 GLU CA C 103 56.669 56.669 55.762 0.907 25436 581 1 . 1 1 103 103 GLU CB C 103 30.162 30.162 30.385 -0.222 25436 582 1 . 1 1 103 103 GLU H H 103 8.100 8.100 7.968 0.132 25436 583 1 . 1 1 104 104 MET N N 104 120.178 120.178 118.736 1.442 25436 584 1 . 1 1 104 104 MET HA H 104 4.332 4.332 4.165 0.167 25436 585 1 . 1 1 104 104 MET C C 104 175.861 175.861 176.575 -0.714 25436 586 1 . 1 1 104 104 MET CA C 104 55.869 55.869 56.476 -0.607 25436 587 1 . 1 1 104 104 MET CB C 104 32.993 32.993 32.982 0.011 25436 588 1 . 1 1 104 104 MET H H 104 8.086 8.086 7.742 0.343 25436 589 1 . 1 1 105 105 TYR N N 105 120.369 120.369 117.464 2.905 25436 590 1 . 1 1 105 105 TYR HA H 105 4.652 4.652 4.508 0.144 25436 591 1 . 1 1 105 105 TYR C C 105 175.318 175.318 176.765 -1.448 25436 592 1 . 1 1 105 105 TYR CA C 105 57.585 57.585 57.898 -0.313 25436 593 1 . 1 1 105 105 TYR CB C 105 38.891 38.891 38.408 0.483 25436 594 1 . 1 1 105 105 TYR H H 105 8.137 8.137 8.051 0.086 25436 stop_ save_